LANDOLT-BÖRNSTEIN Numerical Data and Functional Relationships in Science and Technology New Series Group IV. PHYSICAL CHEMISTRY Thermodynamic Properties Volume IV/13. VAPOR-LIQUID EQUILIBRIUM IN MIXTURES AND SOLUTIONS Subvolume A Binary Liquid Systems of Nonelectrolytes Editor: H. V. Kehiaian Authors: I. Wichterle, J. Linek, Z. Wagner, J.-C. Fontaine, K. Sosnkowska- Kehiaian and H. V. Kehiaian INSTRUCTIONS ON USING THE ELBT PROGRAM ON THE CD CD Version 2006 Producer: ELDATA, Paris, France Programmers: J.-C. Fontaine and H. V. Kehiaian ISBN 978-3-540-49314-3 © Springer Berlin Heidelberg New York Contents Page 1 1.1 1.2 1.3 2 2.1 2.2 3 3.1 3.1.1 3.1.2 3.2 3.3 3.4 4 4.1 4.2 4.3 4.4 4.5 4.6 4.7 5 5.1 5.2 5.3 6 6.1 6.2 6.3 6.4 6.5 7 7.1 8 8.1 8.2 8.3 8.4 9 9.1 9.2 9.2.1 9.2.2 9.2.3 9.2.4 9.3 9.4 9.5 9.6 9.7 9.8 Landolt-Börnstein New Series IV/13A Introduction . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . System requirements. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Installing the program . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . To start . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Primary search option: data file name (direct access) . . . . . . . . . . . . . . File identifier. File number . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Search procedure . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Primary search option: property type . . . . . . . . . . . . . . . . . . . . . . . Physical quantities and physico-chemical properties . . . . . . . . . . . . . . . . . Independent variables and dependent variables . . . . . . . . . . . . . . . . . . . Parameters . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Symbols, units and scales of physical quantities . . . . . . . . . . . . . . . . . . . Property types . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Search procedure . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Primary search option: chemical system . . . . . . . . . . . . . . . . . . . . . . Nomenclature of substances . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Typing the chemical name of substances . . . . . . . . . . . . . . . . . . . . . . Symbols of natural elements and nuclides . . . . . . . . . . . . . . . . . . . . . . Standard order of arrangement of elements in molecular formulae . . . . . . . . . Typing the molecular formula of substances . . . . . . . . . . . . . . . . . . . . . . Typing the CAS registry number of substances . . . . . . . . . . . . . . . . . . . . Search procedure . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Primary search option: reference by author(s) . . . . . . . . . . . . . . . . . . Identification of authors . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Typing the names of authors . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Search procedure . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Primary search option: reference by data source . . . . . . . . . . . . . . . . . Identification of data sources . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Typing the internal code of data sources . . . . . . . . . . . . . . . . . . . . . . . Typing the SELF identifier of data sources . . . . . . . . . . . . . . . . . . . . . . Typing the abbreviation of data sources . . . . . . . . . . . . . . . . . . . . . . . Search procedure . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Primary search option: year range . . . . . . . . . . . . . . . . . . . . . . . . . Search procedure . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Multiple search options . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Search options: property type and chemical system . . . . . . . . . . . . . . . . . Search options: property type and reference by author(s) . . . . . . . . . . . . . . Search options: chemical system and reference by year range . . . . . . . . . . . . Search options: reference by author(s) and data source . . . . . . . . . . . . . . . Visualization of numerical data . . . . . . . . . . . . . . . . . . . . . . . . . . . PDF display . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . SELF (Standard ELectronic File) display . . . . . . . . . . . . . . . . . . . . . . . SELF structure. Identifiers . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Numerical data and estimated uncertainties . . . . . . . . . . . . . . . . . . . . . . Two-phase liquid-liquid systems . . . . . . . . . . . . . . . . . . . . . . . . . . . . Linked data files . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . ELDATA display . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Graphical display . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Selection of units . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Correlating experimental data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Output of correlated experimental data . . . . . . . . . . . . . . . . . . . . . . . . Creating SpreadsheetML documents . . . . . . . . . . . . . . . . . . . . . . . . . . 1 2 2 2 2 2 3 5 5 5 5 5 6 10 14 14 15 15 16 16 18 18 25 25 26 26 29 29 30 30 30 30 33 33 33 33 34 35 35 36 36 37 37 39 40 40 40 41 41 42 44 48 Contents (contd.) Page 10 10.1 10.2 10.3 10.4 11 12 13 14 15 Extraction of bibliographic data . . . . . . . . . . . . . . . . . . . . . . . . . . . Search option: data file name . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Search option: property type . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Search option: chemical system . . . . . . . . . . . . . . . . . . . . . . . . . . . . Search option: reference . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Help system . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Adobe Reader . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Microsoft Office Excel. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Print setup . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Technical support . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 48 49 51 53 56 59 59 59 59 59 Landolt-Börnstein New Series IV/13A Chap. 1 Instructions on Using the ELBT Program on the CD 1 ________________________________________________________________________________________________________________________________________________ 1 Introduction The Landolt-Börnstein volume number IV/13A, 2006 edition, contains vapor-liquid equilibrium (VLE) data for 3316 binary subcritical systems of nonelectrolytes. Equilibrium temperature T, pressure P, liquid x1, and vapour y1 mole fraction compositions are reported. Seventeen property types are distinguished depending on whether none, one, or several among the physical quantities P, T , x1, or y1 is kept constant in the particular data file: isobaric (constant P), isothermal (constant T), isoplethal (constant x1 or y1). The printed volume contains tables and graphs reproducing some representative data for 802 selected mixtures. The property type, including the physical quantities with their SI units, the state of the chemical system, and the method used to obtain the data, the molecular formulae, names and CAS registry numbers of the components, and the full reference to the original source of data are given. The original units have been all converted into SI units. When the number of direct experimental data points reported in the original source is very large (usually more than 50) then part of those data do not appear in the numerical table. More data may appear in graphical form. In any case, this is marked in the footnote of the tables as “See SELF for the totality of data”. The footnote gives merely an overall estimate of the uncertainties of the variable physical quantities. The ELBT Program on the CD permits to search, display, and print all the 3316 data sets in three formats: 1. The PDF Display has the same format as the printed version and can be viewed and printed as a PDF file. It may not show all the direct experimental data. On the graph, the dotted line joining the experimental points is not a calculated best-fit, but a ‘hand-drawn’ curve. 2. The SELF (Standard ELectronic File) Display is an ASCII file containing all the numerical data in a well-defined format and SI units. The absolute uncertainties are specified individually for each measured physical quantity. The Digital Object Identifiers (DOI) of property type, chemical system and reference are given. The corresponding DOI descriptors are included on the CD in three distinct files. Using these files and knowing the SELF format, the data can be transferred to databases and application programs. 3. The ELDATA Display is an ASCII file containing all the numerical data in the same format as SELF. This file is more explicit than SELF, the DOIs of property type, chemical system and reference being replaced by the corresponding descriptors. Moreover, the ELBT Program permits to convert in advance the SI units of pressure, temperature and energy into several practical units. For most of the property types, the ELBT Program allows the Graphical Display of the VLE data, usually as a function of x1, y1, P, or T, with possible unit conversions. All the experimental points are displayed, but individually for each data set (isobaric, isothermal, or isoplethal). The ELBT Program permits in some cases to correlate the isothermal experimental data points by means of the Redlch-Kister equation using up to nine adjustable coefficients. The values of the regression coefficients are displayed together with the corresponding standard errors and with the overall standard deviation and the maximum deviation of the fit. The graph displays the calculated curve. The results of the calculation may be saved in a separate file. The ELBT Program allows importing the information of SELF and ELDATA files, as well as of the files containing the results of correlations into SpreadsheetML documents. The XML files can be viewed by means of Microsoft Office Excel 2002 or later. The ELBT Program on the CD includes a large, almost exhaustive, bibliographical database, EVLM’2006, giving references to experimental VLE measurements for 2- to 9-component systems. These components are molecular substances, both organic and inorganic having well-defined molecular formulae. Aqueous and non-aqueous systems of organic or inorganic electrolytes, ionic liquids, alloy and fused salt systems, polymers and other materials are partly covered in the database. The principal features of EVLM’2006 are listed below: Coverage: Number of References: Primary Data Sources: Authors: Systems: Components: Landolt-Börnstein Nw Series IV/13A 1888-mid 2006 13476 1265 14278 20937 3230 2 Instructions on Using the ELBT Program on the CD Fig. 1 - Chap. 1.1 ___________________________________________________________________________________________________________________________________________________ 1.1 System requirements The ELBT software works on IBM®-compatible PC under Microsoft Windows®98 or later. It requires a CDROM drive, a minimum of 32 MB RAM, 80 MB available hard disk space, and Adobe®.Reader version 5.0 or later. 1.2 Installing the program Insert the CD-ROM into the drive. From Windows Explorer click on ELBT program in the root-directory of the CD-ROM. Run the setup.exe application and follow the screen instructions in the setup procedure. The program will be installed on the specified drive and directory (default C:\ ELBT).You can specify another directory by typing in the full path. 1.3. To start When the installation is completed, click the OK button on the opening screen (Fig. 1) displaying the dialog box (Fig. 2). Fig. 1 Opening screen Continue by pressing the Cancel button or check out first one of the primary search options and press the OK button (see Chaps. 2 - 9). 2 Primary search option: data file name (direct access) 2.1 File identifier. File number The Landolt-Börnstein volume number IV/13A, 2006 edition, contains 3316 numerical data files. Each data file has a specific file identifier (data file name), incorporating the DOI (Digital Object Identifier) of the publisher (10.1007), the DOI of the publication, (b79358), the year of publication (2006), and the data Landolt-Börnstein New Series IV/13A Chap. 2.2 - Fig. 2 Instructions on Using the ELBT Program on the CD 3 ___________________________________________________________________________________________________________________________________________________ file number. Example: 10.1007/b79358/2006.LB0173 where LB0173 is the data file number. Fig. 2 Select the primary search option The data file numbers can be found in the printed volume on the top of the PDF tables in Chaps. 2.2, 2.3, and 2.4, in column 4 of the Class Indexes of Systems, Chaps. 4.4, 4.5, and 4.6, and in column 5 of the Formula Index of Systems on the CD. 2.2 Search procedure Using the dialog box (Fig. 2) check out the Data File Name button and click OK , or click first Cancel and choose File / Data File from the main (i. e. the Search Criteria window) menu (Fig. 3). In both cases, the dialog box shown in Fig. 4 will appear. Fig. 3 Select a numerical data file Landolt-Börnstein New Series IV/13A 4 Instructions on Using the ELBT Program on the CD Fig. 4 - Chap. 2.2 ___________________________________________________________________________________________________________________________________________________ Using this dialog box type the data file number in the SELF File Name edit control (Fig. 4): Fig. 4 Input of the data file number Pressing the Select button you display the reference, chemical system, and property type descriptors of the selected numerical data file (Fig. 5). Fig. 5. Descriptors and menu entries for a numerical data file Landolt-Börnstein New Series IV/13A Chap. 3 Instructions on Using the ELBT Program on the CD 5 ________________________________________________________________________________________________________________________________________________ 3 Primary search option: property type 3.1 Physical quantities and physico-chemical properties The tables in this volume refer to four physical quantities: P - pressure, T - temperature, x1 - mole fraction of component 1 in liquid phase, and y1 - mole fraction of component 1 in vapor phase. The pure component liquid molar volumes Vi and the second molar virial coefficients Bij are auxiliary quantities E used in calculating GE – the molar excess Gibbs energy, Gi – the partial molar excess Gibbs energies, ∞ and γ i – the activity coefficients at infinite dilution. They are all intensive quantities, i. e. their magnitudes are independent of the extent of the chemical system. The physico-chemical properties are functional relationships between these quantities, e. g. P (x1) at constant T, or P (T) at constant x1, etc. 3.1.1 Independent variables and dependent variables Generally, each property type is characterized by a group of 'independent variables' and a group of 'dependent variables'. There must be at least one independent variable and one dependent variable. In the 17 property types of this volume P, T, or y1 is the dependent variable. In the property types EVLM1111, EVLM1112, EVLM1121, EVLM1131, EVLM 1211, EVLM 1221, EVLM1222, EVLM1231, and EVLM1232, the independent variable is x1. In the property types EVLM1141 and EVLM1241 the independent variable is y1. In the property types EVLM1311 and EVLM1321 the independent variable is T. In the property type EVLM1341 the independent variable is P. In the property types EVLM1411 and EVLM1431 the independent variables are T and x1. In the property type EVLM1421 the independent variables are T and y1 3.1.2 Parameters Generally, in the case of physico-chemical properties consisting of three or more physical quantities, all the physical quantities remaining after selecting the independent and the dependent variables are considered as 'parameters', if they take one or several discrete constant values. E. g. in the property types EVLM1111 and EVLM1211 the parameters are, respectively, T and P. In the property types EVLM1311 and EVLM1321 the parameters are, respectively, x1 and y1. In the property types EVLM1411, EVLM14211, and EVLM1431 all the physical quantities are variables. 3.2 Symbols, units and scales of physical quantities In PDF files the symbols used for pressure, temperature, and mole fractions are those recommended by IUPAC. The symbols [X1], [X2], etc. used for independent variables, [Y1], [Y2], etc. used for dependent variables, and [P1], [P2], etc. used for parameters in SELF and ELDATA files, are functional symbols having nothing in common with the physical symbols. All the physical quantities are reported in SI units (product or quotient of SI base units), without multiple or submultiple prefixes. So there is no need to specify the unit in the SELFs. Whenever necessary, values taken from the literature have been converted into SI units using the appropriate conversion factors. Temperatures are based on the International Temperature Scale of 1990 (ITS-90). The molar quantities are based on the 2005 table of the IUPAC Commission on Atomic Weights and Isotopic Abundances. The standard atomic weights apply to elements as they exist naturally on Earth (natural abundance of the stable nuclides). Landolt-Börnstein New Series IV/13A 6 Instructions on Using the ELBT Program on the CD Fig. 6 - Chap. 3.3 _______________________________________________________________________________________________________________________________________________ The year of publication of a SELF appears in the SELF name. If it differs from the year of publication of the original source of data, then temperatures and molar quantities should be converted to the abovementioned scales. The corrections being within the limits of uncertainties of the measured quantities they were not applied to the data reported in this volume. ____________________________________________________________________________________ Symbol Physical Quantity SI Unit Pressure pascal (Pa = N m-2 = kg m-1 s-2) Temperature kelvin (K) Mole fraction (dimensionless) Molar volume cubic meter per mole (m3 mol-1) Molar excess Gibbs energy joule per mole (J mol-1 = kg m2 s-2 mol-1) Partial molar excess Gibbs energy joule per mole (J mol-1 = kg m2 s-2 mol-1) ∞ γi Activity cofficient at infinite dilution (dimensionless) ______________________________________________________________________________________ P T x,y V GE E Gi The property type identifier determines unambiguously the state, all the physical quantities and their quality (dependent variable, independent variable, or parameter), and the method. The descriptors of the five property types are shown in Table 1 and are stored in the same directory as the Program as ELBT13APropTypes.txt file. 3.3 Property types Seventeen property types are distinguished in the Landolt-Börnstein volume numbers IV/13A, 2006 edition, (Table 1). All refer to binary single-phase or two-phase liquid-liquid systems in equilibrium with vapor (State). The vapour-liquid equilibrium data were obtained by direct experimental measurements (Method). Fig. 6 Select the property type Landolt-Börnstein New Series IV/13A Chap. 3.3 - Table 1 Instructions on Using the ELBT Program on the CD 7 _________________________________________________________________________ Table 1. Property Types EVLM1111 Property Type State Parameters Variables Method EVLM1112 Property Type State Parameters Variables Method EVLM1121 Property Type State Parameters Variables Method EVLM1131 Property Type State Parameters Variables Method EVLM1141 Property Type State Parameters Variables Method Landolt-Börnstein New Series IV/13A Example: Vol. IV/13A LB0817, p.2-326 [EVLM1111] VAPOR-LIQUID EQUILIBRIUM IN MIXTURES AND SOLUTIONS Two-component system, single-phase liquid or two-phase liquid-liquid in equilibrium with vapor Pure component 1, liquid in equilibrium with vapor Pure component 2, liquid in equilibrium with vapor T/K Temperature x1/Mole fraction of component 1 in liquid phase P/Pa Pressure Direct measurement of P at variable x1 and constant T Example: Vol. IV/13A LB3284, p.2-42 [EVLM1112] VAPOR-LIQUID EQUILIBRIUM IN MIXTURES AND SOLUTIONS Two-component system, single-phase liquid or two-phase liquid-liquid in equilibrium with vapor Pure component 1, liquid in equilibrium with vapor Pure component 2, liquid in equilibrium with vapor T/K Temperature x1/Mole fraction of component 1 in liquid phase P/Pa Pressure Direct measurement of P at variable T and constant x1 (smoothed T data) Example: Vol. IV/13A LB0189, p.2-188 [EVLM1121] VAPOR-LIQUID EQUILIBRIUM IN MIXTURES AND SOLUTIONS Two-component system, single-phase liquid or two-phase liquid-liquid in equilibrium with vapor Pure component 1, liquid in equilibrium with vapor Pure component 2, liquid in equilibrium with vapor T/K Temperature x1/- Mole fraction of component 1 in liquid phase y1/- Mole fraction of component 1 in vapor phase Direct measurement of y1 at variable x1 and constant T Example: Vol. Vol. IV/13A LB0887, p.2-264 [EVLM1131] VAPOR-LIQUID EQUILIBRIUM IN MIXTURES AND SOLUTIONS Two-component system, single-phase liquid or two-phase liquid-liquid in equilibrium with vapor Pure component 1, liquid in equilibrium with vapor Pure component 2, liquid in equilibrium with vapor T/K Temperature x1/Mole fraction of component 1 in liquid phase P/Pa Pressure y1/Mole fraction of component 1 in vapor phase Direct measurement of P and y1 at variable x1 and constant T Example: Vol. IV/13A LB1098 (CD) [EVLM1141] VAPOR-LIQUID EQUILIBRIUM IN MIXTURES AND SOLUTIONS Two-component system, single-phase liquid or two-phase liquid-liquid in equilibrium with vapor Pure component 1, liquid in equilibrium with vapor Pure component 2, liquid in equilibrium with vapor T/K Temperature y1/Mole fraction of component 1 in vapor phase P/Pa Pressure Direct measurement of P at variable y1 and constant T 8 Instructions on Using the ELBT Program on the CD Table 1 - Chap. 3.3 ____________________________________________________________________________________________________________________ EVLM1211 Property Type State Parameters Variables Method EVLM1221 Property Code State Parameters Variables Method EVLM1222 Property Code State Parameters Variables Method EVLM1231 Property Code State Parameters Variables Method EVLM1232 Property Code State Parameters Variables Method Example: Vol. IV/13A LB1070, p.2-24 [EVLM1211] VAPOR-LIQUID EQUILIBRIUM IN MIXTURES AND SOLUTIONS Two-component system, single-phase liquid or two-phase liquid-liquid in equilibrium with vapor Pure component 1, liquid in equilibrium with vapor Pure component 2, liquid in equilibrium with vapor P/Pa Pressure x1/Mole fraction of component 1 in liquid phase T/K Temperature Direct measurement of T at variable x1 and constant P Example: Vol. IV/13A LB2309 p.2-243 [EVLM1221] VAPOR-LIQUID EQUILIBRIUM IN MIXTURES AND SOLUTIONS Two-component system, single-phase liquid or two-phase liquid-liquid in equilibrium with vapor Pure component 1, liquid in equilibrium with vapor Pure component 2, liquid in equilibrium with vapor P/Pa Pressure x1/Mole fraction of component 1 in liquid phase y1/Mole fraction of component 1 in vapor phase Direct measurement of y1 at variable x1 and constant P Example: Vol. IV/13A LB3278 p.2-250 [EVLM1221] VAPOR-LIQUID EQUILIBRIUM IN MIXTURES AND SOLUTIONS Two-component system, single-phase liquid or two-phase liquid-liquid in equilibrium with vapor Pure component 1, liquid in equilibrium with vapor Pure component 2, liquid in equilibrium with vapor P/Pa Pressure x1/Mole fraction of component 1 in liquid phase y1/Mole fraction of component 1 in vapor phase Direct measurement of y1 at variable x1 and constant P (smoothed x1 data) Example: Vol. Vol. IV/13A LB3255, p.2-223 [EVLM1231] VAPOR-LIQUID EQUILIBRIUM IN MIXTURES AND SOLUTIONS Two-component system, single-phase liquid or two-phase liquid-liquid in equilibrium with vapor Pure component 1, liquid in equilibrium with vapor Pure component 2, liquid in equilibrium with vapor P/Pa Pressure x1/Mole fraction of component 1 in liquid phase T/K Temperature y1/Mole fraction of component 1 in vapor phase Direct measurement of T and y1 at variable x1 and constant P Example: Vol. IV/13A LB3235, p.2-46 [EVLM1231] VAPOR-LIQUID EQUILIBRIUM IN MIXTURES AND SOLUTIONS Two-component system, single-phase liquid or two-phase liquid-liquid in equilibrium with vapor Pure component 1, liquid in equilibrium with vapor Pure component 2, liquid in equilibrium with vapor P/Pa Pressure x1/Mole fraction of component 1 in liquid phase T/K Temperature y1/Mole fraction of component 1 in vapor phase Direct measurement of T and y1 at variable x1 and constant P (smoothed x1 data) Landolt-Börnstein New Series IV/13A Chap. 3.3 - Table 1 Instructions on Using the ELBT Program on the CD 9 ____________________________________________________________________________________________________________________ EVLM1241 Property Code State Parameters Variables Method EVLM1311 Property Code State Parameters Variables Method EVLM1321 Property Code State Parameters Variables Method EVLM1341 Property Code State Parameters Variables Method EVLM1411 Property Code State Variables Method Landolt-Börnstein New Series IV/13A Example: Vol. IV/13A LB0084, p.2-391 [EVLM1241] VAPOR-LIQUID EQUILIBRIUM IN MIXTURES AND SOLUTIONS Two-component system, single-phase liquid or two-phase liquid-liquid in equilibrium with vapor Pure component 1, liquid in equilibrium with vapor Pure component 2, liquid in equilibrium with vapor P/Pa Pressure y1/Mole fraction of component 1 in vapour phase T/K Temperature Direct measurement of T at variable y1 and constant P Example Vol. IV/13A LB1636, p.2-230 [EVLM1311] VAPOR-LIQUID EQUILIBRIUM IN MIXTURES AND SOLUTIONS Two-component system, single-phase liquid in equilibrium with vapor Pure component 1, liquid in equilibrium with vapor Pure component 2, liquid in equilibrium with vapor x1/Mole fraction of component 1 in liquid phase T/K Temperature P/Pa Pressure Direct measurement of P at variable T and constant x1 Example Vol. IV/13A LB1101, p.2-53 [EVLM1321] VAPOR-LIQUID EQUILIBRIUM IN MIXTURES AND SOLUTIONS Two-component system, single-phase liquid in equilibrium with vapor Pure component 1, liquid in equilibrium with vapor Pure component 2, liquid in equilibrium with vapor y1/Mole fraction of component 1 in vapor phase T/K Temperature P/Pa Pressure Direct measurement of P at variable T and constant y1 Example Vol. IV/13A LB1546, p.2-198 [EVLM1341] VAPOR-LIQUID EQUILIBRIUM IN MIXTURES AND SOLUTIONS Two-component system, single-phase liquid in equilibrium with vapor Pure component 1, liquid in equilibrium with vapor Pure component 2, liquid in equilibrium with vapor x1/Mole fraction of component 1 in liquid phase P/Pa Pressure T/K Temperature Direct measurement of T at variable P and constant x1 Example Vol. IV/13A LB2009 (CD) [EVLM1411] VAPOR-LIQUID EQUILIBRIUM IN MIXTURES AND SOLUTIONS Two-component system, single-phase liquid or two-phase liquid-liquid in equilibrium with vapor Pure component 1, liquid in equilibrium with vapor Pure component 2, liquid in equilibrium with vapor T/K Temperature x1/Mole fraction of component 1 in liquid phase P/Pa Pressure Direct measurement of P at variable T and x1 10 Instructions on Using the ELBT Program on the CD Fig. 7 - Table 1 - Chap. 3.4 _______________________________________________________________________________________________________________ EVLM1421 Property Code State Variables Method Example Vol. IV/13A LB3285, p.2-97 [EVLM1421] VAPOR-LIQUID EQUILIBRIUM IN MIXTURES AND SOLUTIONS Two-component system, single-phase liquid or two-phase liquid-liquid in equilibrium with vapor Pure component 1, liquid in equilibrium with vapor Pure component 2, liquid in equilibrium with vapor T/K Temperature y1/Mole fraction of component 1 in vapor phase P/Pa Pressure Direct measurement of P at variable T and y1 EVLM1431 Property Code State Variables Method Example Vol. IV/13A LB0688, p.2-217 [EVLM1431] VAPOR-LIQUID EQUILIBRIUM IN MIXTURES AND SOLUTIONS Two-component system, single-phase liquid or two-phase liquid-liquid in equilibrium with vapor Pure component 1, liquid in equilibrium with vapor Pure component 2, liquid in equilibrium with vapor T/K Temperature x1/Mole fraction of component 1 in liquid phase P/Pa Pressure y1/Mole fraction of component 1 in vapor phase Direct measurement of P and y1 at variable T and x1 3.4 Search procedure Using the dialog box (Fig. 2) check out the Property Type button and click OK , or click first Cancel and choose Property from the main menu (Fig. 3). EVLM appears in the Identifier edit control. Select the desired property type identifier from the Property Type list box, and press the Select Type button (Fig. 6). In order to display all the chemical systems corresponding to the selected property type (there must be at least one chemical system), choose Find / Systems from the main (i. e. the Search Criteria window) menu (Fig. 7). Fig. 7 Find all the chemical systems for a preselected property type Landolt-Börnstein New Series IV/13A Chap. 3.4 - Fig. 8 Instructions on Using the ELBT Program on the CD 11 ______________________________________________________________________________________________________________ Select the system from the Found System list and click the References linked to System icon (Fig. 8). Fig. 8 Find all the references for a preselected property type and chemical system This displays the descriptors of the preselected property type and chemical system and of all the corresponding references (there must be at least one reference). The availability of numerical data in this volume (IV/13A) (Fig. 9) is displayed on the screen. Otherwise the information is purely bibliographic (Fig. 13). Fig. 9 Descriptors and menu entries for a numerical data file available in this volume (IV/13A) In order to display all the references in the data base corresponding to the selected property type (there must be at least one reference), choose Find / References from the main menu (Fig. 10). Landolt-Börnstein New Series IV/13A 12 Instructions on Using the ELBT Program on the CD Fig. 10 - Chap. 3.4 ___________________________________________________________________________________________________________ Fig. 10 Find all the references for a preselected property type Select the reference from the Found Reference list and click the Systems linked to Reference icon (Fig. 11). Fig. 11 Find all the chemical systems for a preselected property type and reference This displays the descriptors of the preselected property type and reference and of all the corresponding chemical systems (there must be at least one chemical system) (Fig. 12). Landolt-Börnstein New Series IV/13A Chap. 3.4 - Fig. 12 Instructions on Using the ELBT Program on the CD 13 ______________________________________________________________________________________________________________ The availability of numerical data in this volume (IV/13A) is displayed on the screen (Fig. 12). Fig. 12 Descriptors and menu entries for a numerical data file available in Vol. IV/13A Otherwise the information is purely bibliographic (Fig.13). Fig. 13 Descriptors and menu entries for a bibliographical data file without numerical data in Vol. IV/13A Landolt-Börnstein New Series IV/13A 14 Instructions on Using the ELBT Program on the CD Chap. 4 __________________________________________________________________________________________________________ 4 Primary search option: chemical system Each chemical system consists of two or several (maximum 9) components. Each component is either a pure substance, e.g., ethanol, C2H6O, or an undefined isomer or mixture of isomers, e.g., dimethylbenzene, C8H10, with well defined molecular formulae, or a material, i.e., a substance or mixture of substances with undefined molecular formulae, e.g., poly(vinylacetate), air, gasoline, etc. In the bibliographical database the generic name of a class of substances may appear as a component, e.g., naphtenes, dextrans, etc. Numerical data are available only for binary systems of pure substances. 4.1 Nomenclature of substances In general, for each substance an unambiguous and unique name was chosen as the main name (i.e. preferred name). For organic substances, it is usually one among the various systematic names recommended by IUPAC. For inorganic substances, the practices approved by the ACS Committee on Nomenclature were usually followed. The element S is spelled sulfur. A few other systematic names and widely used trivial names and abbreviations were adopted as synonyms (alternate names). An attempt has been made to select the main names and synonyms as far as possible in a consistent way. The following examples illustrate some typical cases of main names, of selected synonyms, and of unselected synonyms: Main name Heptane 1,2-Dimethylbenzene tert-Butyl methyl ether Oxirane Butan-2-ol Propan-2-one Vinyl ethanoate 1-Chlorobutane 1,1,2-Trichlorotrifluoroethane Propylamine N,N-Dimethylethanamide Selected synonym(s) 1,2-Xylene MTBE 2-Methoxy-2-methylpropane Ethylene oxide Epoxyethane sec-Butanol sec-Butyl alcohol 2-Butanol Acetone Dimethyl ketone Vinyl acetate Ethanoic acid vinyl ester Acetic acid vinyl ester Butyl chloride Freon 113 CFC 113 CFC-113 R 113 R-113 1-Aminopropane Propanamine N,N-Dimethylacetamide DMA DMAC Unselected synonym(s) n-Heptane o-Xylene Methyl tert-butyl ether Oxacyclopropane Dimethylene oxide Ketone, dimethyl Dimethylformaldehyde Ethenyl ethanoate Butane, 1-chloro n-Butyl chloride n-Propylcarbinyl chloride 1,1,2-Trifluorotrichloroethane CFC113 R113 Landolt-Börnstein New Series IV/13A Chap. 4.2 Instructions on Using the ELBT Program on the CD 15 ________________________________________________________________________________________________________________ References 1) IUPAC Organic Chemistry Division. Nomenclature of Organic Chemistry, Sections A, B, C, D, E, F and H. 1979, Rigaudy, J.; Klesney, S. P., Eds., Pergamon Press, Oxford, 1979, 559 pp. 2) Block, B. P.; Powell, W. H.; Fernelius, W. C. Inorganic Chemical Nomenclature, Principles and Practice. ACS Professional Reference Book, American Chemical Society, Washington, DC 1990, 210 pp. 3) A Guide to IUPAC Nomenclature of Organic Compounds, Recommendations 1993, Panico, R.; Powell, W. H.; Richer, J.-C., Eds., Blackwell Science, Oxford, 1993, 190 pp. 4) IUPAC Nomenclature of Inorganic Chemistry, Recommendations 1990, Leigh, G. J., Ed., Blackwell Scientific Publications, Oxford, 1990, 289 pp. 5) IUPAC Nomenclature of Inorganic Chemistry II, Recommendations 2000, Mc Cleverty, J. A. and Connelly, N. G., Eds., Royal Society of Chemistry, Cambridge, UK, 2001, 130 pp. 6) Lide, D. R. CRC Handbook of Chemistry and Physics, 87th Ed., CRC Press, Boca Raton, Florida, USA, 2006. 4.2 Typing the chemical name of substances You may use upper or lower case letters when typing chemical names. These are all converted by Program to upper case. Greek letters are typed as follows: .ALPHA. .BETA. .GAMMA. .EPSILON. After typing a name, you have to specify whether it is a Complete Name or a Partial Name (i.e., just a portion of the Complete Name). Example: Typed Text Partial Name Displayed formula Displayed main name TETRACHLORO C Cl4 C2 H2 Cl4 C2 Cl4 Cl4 Sn Tetrachloromethane 1,1,2,2-Tetrachloroethane Tetrachloroethene Tin tetrachloride In both cases, the Program displays either a No Component found message or all the main names and synonyms containing a fragment matching the typed text. 4.3 Symbols of natural elements and nuclides Natural Elements: The symbols used to denote the natural elements are those recommended by IUPAC. Nuclides: The symbol used to denote a specific nuclide in the formula of an isotopically modified substance consists of the atomic symbol of the natural element and an Arabic numeral indicating the mass number of the nuclide in the left position. Example: 12C. For the hydrogen isotopes with mass numbers 1 (protium), 2 (deuterium), 3 (tritium), the symbols 1H, 2H, and 3H, respectively, are used (the symbols D, T, d, t are not used at all in formulae). Landolt-Börnstein New Series IV/13A 16 Instructions on Using the ELBT Program on the CD Chap. 4.4 _____________________________________________________________________________________________________________________ Reference 1) IUPAC Commission on Atomic Weights and Isotopic Abundances. Atomic Weights of the Elements 1995. Pure Appl. Chem. 1996, 68, 2339. 4.4 Standard order of arrangement of elements in molecular formulae For substances not containing C atoms, the elements are arranged in the alphabetical order of their chemical symbols with an Arabic numeral indicating the number of atoms of each element (if different from 1). Examples: Cl H Hydrogen chloride N2 O Dinitrogen oxide For substances containing C atoms but no H atoms, the elements are arranged in the following order: C, followed by the other elements in the alphabetical order of their chemical symbols with an Arabic numeral indicating the number of atoms of each element (if different from 1). Examples: C S2 Carbon disulfide C Cl2 F2 Dichlorodifluoromethane For substances containing C atoms and H atoms, the elements are arranged in the following order: C, H, followed by the other elements in the alphabetical order of their chemical symbols with an Arabic numeral indicating the number of atoms of each element (if different from 1). Examples: C2 H Br Cl F3 Bromochloro-1,1,1-trifluoroethane C4 H7 N O Pyrrolidin-2-one For isotopically modified substances, the symbol of a nuclide occupies the same place in the formula as the natural element. Examples: (2H)2 O (2H2)Dihydrogen oxide C (2H) Cl3 Trichloro(2H)methane When the isotopically unmodified atomic symbol and one or several modified atomic symbols occur in the same place in the formula, then the atomic symbol precedes the nuclide symbols, the latter being written in the order of increasing mass number. Examples: (1H) (2H) (1H,2H)Hydrogen C H (2H)3 O (2H3)Methanol 4.5 Typing the molecular formula of substances The symbols of the constitutive elements followed by the corresponding number of atoms may be typed in any desired order. To avoid ambiguities, type all the symbols with the usual upper and lower case letters. Landolt-Börnstein New Series IV/13A 0 Chap. 4.5 Instructions on Using the ELBT Program on the CD 17 ______________________________________________________________________________________________________________ The Program may correct unusually typed symbols in some cases. The same symbol may appear several times in the formula. Spaces left between symbol characters and numbers are ignored. The Program sums up the elements and arranges them in the standard order of arrangement of elements in molecular formulae. Examples: Typed text Display clh or Clh or hcl or HCl CO or OC or oc Co or co h4c or CH4 or ch4 or Ch4 or chhhh brCH2CH2CH3 Cl H CO Co (not C O) C H4 C3 H7 Br Nuclide symbols must be written in parentheses with the atomic symbol of the element preceded by an Arabic numeral indicating the atomic mass number of the nuclide. Examples: Typed txt Display (2h)2o or (2H)O(2H) CCl3(2H) (2H)2 O C (2H) Cl3 Typing erroneous symbols or symbols of elements not included in the data base results in a Syntax Error in Formula message. After typing a formula, you have to specify whether it is a Complete Formula or a Partial Formula (i.e., containing all the elements or only part of the elements). Examples: Typed text Complete formula Displayed formula Displayed main name C3 H8 O2 C3 H8 O2 C3 H8 O2 C3 H8 O2 C3 H8 O2 2,4-Dioxapentane 2-Methoxyethanol Propane-1,2-diol Propane-1,3-diol Typed text Partial formula Displayed formula Displayed main name C2 N O C2 H5 N O C2 H7 N O N-Methylmethanamide 2-Aminoethanol In both cases, the Program displays either a No Component found message or the total number of components matching the given numbers of the specified elements. Landolt-Börnstein New Series IV/13A 18 Instructions on Using the ELBT Program on the CD Fig. 14 - Chap. 4.6 __________________________________________________________________________________________________________________ 4.6 Typing the CAS registry number of substances The complete CAS registry number must be typed. The hyphens may be omitted but no spaces should be left between the numbers. Example: Typed text Displayed CAS registry number Displayed main name 71-43-2 7143-2 71-432 71432 71-43-2 71-43-2 71-43-2 71-43-2 Benzene Benzene Benzene Benzene The Program displays either the component in the data base having the typed CAS registry number or a No Component found message. 4.7 Search procedure Using the dialog box (Fig. 2) check out the Chemical System button and click OK , or click Cancel first and choose System from the main menu (Fig. 3). In order to restrict the search to chemical systems with a well defined number of components, comprised between a lower limit (minimum 2) and an upper limit (maximum 9), which are the default values, press Modify (Fig. 14). Fig.14 Modify the number of components of the chemical system Enter the desired Lower Limit and Upper Limit numbers in the Selection of Number of Components window (Fig. 15) and press OK . Landolt-Börnstein New Series IV/13A Chap. 4.7 - Fig. 15 Instructions on Using the ELBT Program on the CD 19 ________________________________________________________________________________________________________________ By pressing Cancel you restore the initial values and display the Search Criteria window (Fig. 3). Fig. 15 Select the number of components of the chemical system In order to display all the chemical systems having the selected number of components choose Find / Systems from the main menu (Fig. 3). Select the desired system from the Found System list (there must be at least one chemical system). In order to display all the references which are linked to the selected chemical system click the icon (there must be at least one reference) (Fig. 16). Fig. 16 Display all the references linked to a selected chemical system Choose System / Add Component from the main menu.(Fig. 3) Using the dialog box shown in Fig. 17, select Component # 1 by typing the Complete or Partial chemical name in the Name edit control (Fig. 18), or the Complete or Partial molecular formula in the Formula edit control (Fig. 19), or the CAS registry number in the CAS Registry Number edit control (Fig. 20), and press the Search button. The Program displays either a No Component found message or all the components matching the typed characters. Landolt-Börnstein New Series IV/13A 20 Instructions on Using the ELBT Program on the CD Fig. 17 - Chap. 4.7 ____________________________________________________________________________________________________________________ Fig. 17 Select Component # 1 by chemical name, molecular formula, or CAS registry number Fig. 18 Select component by partial chemical name When typing name, or formula, or CAS registry number follow the instructions given in Chaps 4.2, 4.5 and 4.6. Landolt-Börnstein New Series IV/13A Chap. 4.7 - Fig. 19 Instructions on Using the ELBT Program on the CD 21 ________________________________________________________________________________________________________________ Fig. 19 Select component by complete molecular formula Select the desired Component # 1 from the Found Component list. After pressing the Select button you may use the same dialog box and search procedure to select Component # 2. Fig. 20 Select component by CAS registry number Landolt-Börnstein New Series IV/13A 22 Instructions on Using the ELBT Program on the CD Fig. 21 - Chap. 4.7 ______________________________________________________________________________________________________________________ Alternatively, you can close the window by pressing the Close button, then choose from the main menu the System / Add Component command and select Component # 2 in the usual way (Fig. 18). The options System / Delete Component and System / Cancel are also available (Fig. 21). More components can be added without exceeding the Upper Limit (Fig. 15). Fig. 21 Add component # 2, or delete component # 1, or cancel the selected chemical system In order to identify all the chemical systems in the data base containing the preselected components, after pressing the Close button (Figs. 18 - 20), choose from the main menu the Find / System command (Fig. 22). The Program displays either a No System found message or all the chemical systems in the database containing the preselected components. Select the desired system from the Found System list (Fig. 23). Fig. 22 Find chemical systems Landolt-Börnstein New Series IV/13A Chap. 4.7 - Fig. 23 Instructions on Using the ELBT Program on the CD 23 ______________________________________________________________________________________________________________ Fig. 23 Select a binary chemical system from the list of systems containing a given component The Program does not allow to add more components than the Upper Limit. Only the options Delete Component and Cancel are available from the System menu (Fig. 21). In order to display all the references and/or all the property types which are linked to a selected chemical system click the appropriate icons, or (Figs. 24, 25, and 26), and select a reference (there must be at least one reference) and a property type. indicates that no numerical data files are available in Volume IV/13A for the The absence of an icon selected search options. This is the case for any system with more than two components. The information provided is then purely bibliographic. Fig. 24 Display all the properties linked to a selected binary system Landolt-Börnstein New Series IV/13A 24 Instructions on Using the ELBT Program on the CD Fig. 25 - Chap. 4.7 _____________________________________________________________________________________________________________________ Fig. 25 Display all the references linked to a selected binary system This displays all the descriptors of the numerical data file corresponding to the selected chemical system, reference, and property type (Figs. 27 and 28). Fig. 26 Display all the property types linked to a selected binary system Fig. 27 Descriptors and menu entries for a numerical data file Landolt-Börnstein New Series IV/13A Chap. 5 - Fig. 28 Instructions on Using the ELBT Program on the CD 25 ______________________________________________________________________________________________________________ Fig. 28 Descriptors and menu entries for a numerical data file 5 Primary search option: reference by author(s) The full citation of a reference comprises the name(s) with initials of the author(s), the title of the article, the abbreviation of the original data source, the year of publication, the volume number (if any), the issue number in parentheses (if necessary), and the first and last page numbers of the article. The Chemical Abstracts accession number is supplied when available. 5.1 Identification of authors The name of an author consists of the family name (one or several words), a comma, and the initial(s) of the forname(s). The family name and the comma, but a single comma, must appear in the name. All the names are printed in the Roman alphabet. Modified letters and letters with diacritical marks are printed as their unmodified equivalents except ä, ö, and ü which are transliterated as ae, oe, and ue, respectively. Names printed in non-Roman alphabets or ideographs are romanized according to the systems used in Chemical Abstracts. It often happens that an author publishes under different names either as a consequence of a change of name or simply because names are not spelled identically in different publications. In order to retrieve all the papers of an author, independent of how his name appears in the publication, the alternate names were recorded as synonym names, provided there was no doubt that they do really correspond to the same author. Even slight differences are taken into account. Examples: Azevedo, E. J. S. G. Chao, J. P. Fenclova, D. Landolt-Börnstein New Series IV/13A Gomes de Azevedo, E. J. S. Azevedo, E. G. Chao, J.-P. Blahova, D. 26 Instructions on Using the ELBT Program on the CD Fig. 29 - Chap. 5.2 _____________________________________________________________________________________________________________________ Different authors may have the same name. Whenever this could be evidenced they were distinguished by adding a Roman numeral. Example: Fernandez, J. Fernandez, J. Fernandez I, J. Fernandez II, J. In doubtful cases, the names are considered as corresponding to a single author. 5.2 Typing the names of authors Type one or several initial letters of the family name of the author. You may ignore the comma and the initial(s) of the forname(s). You may use upper or lower case letters. These are all converted by program to upper case. Example: Typed text Displayed names ALL Allan, W. A. Allawi, A. J. Allred, G. C. O’Shea, S. O’Shea, S. J. O’S 5.3 Search procedure Using the dialog box (Fig. 2) check out the Reference by Author(s) button and click OK , or click first Cancel and choose the Reference / Add Author command from the main menu. Using the dialog box shown in Fig. 29, type the name of the author in the Name edit control following the instructions of Chap. 5.2, and press the Search button. The Program displays either a No Author found message or all the names matching the typed letters (Fig. 29). Fig. 29 Select author Landolt-Börnstein New Series IV/13A Chap. 5.3 - Fig. 30 Instructions on Using the ELBT Program on the CD 27 ________________________________________________________________________________________________________________________________________________ Select the desired author from the Found Author list. After pressing the Select button (Fig. 29) you may add one or several co-authors by choosing the Reference / Add Author command from the main menu (Fig. 30). Fig. 30 Add author The options Reference / Delete Author and Reference / Cancel are also available (Fig. 30). Choosing the Find / References command from the main menu, the program displays either a No Reference found message or all the references of the selected author(s). Select the desired reference. In order to display all the chemical systems (there must be at least one chemical system) and/or all the property types which are linked to the selected reference click the appropriate icons or (Figs. 31 and 32) and select a chemical system and a property type. Fig. 31 Display all the chemical systems linked to a selected reference Landolt-Börnstein New Series IV/13A 28 Instructions on Using the ELBT Program on the CD Fig. 32 - Chap. 5.3 __________________________________________________________________________________________________________________________________________________ Fig. 32 Display all the properties linked to a selected reference This displays all the descriptors of the numerical data file corresponding to the selected reference, chemical system, and property type (Figs. 33 and 34). Fig. 33 Descriptors and menu entries for a numerical data file Landolt-Börnstein New Series IV/13A Chap. 6 - Fig. 34 Instructions on Using the ELBT Program on the CD 29 __________________________________________________________________________________________________________________________________________________ Fig. 34 Descriptors and menu entries for a numerical data file 6 Primary search option: reference by data source 6.1 Identification of data sources Each data source is characterized by an unambigous abbreviation, an internal code, and a SELF identifier. The abbreviation of a serial publication is usually the same as in Chemical Abstracts and is based on a standard of the International Organization of Standardization (ISO 4-1972(E)). For non-serial publications or when the Chemical Abstracts abbreviation could not be identified, an abbreviation was constructed in the same style. The internal code used for a serial publication is usually the six-character CODEN (American Chemical Society International CODEN Directory). For non-serial publications or when the CODEN could not be identified, a CODEN-like Code (000 followed by three other characters) was defined. The SELF identifier of serial publications for which the International Standard Serial Number (ISSN) is available consists of the ISSN preceded by the character S. The SELF identifier of dissertations and Ph. D. Theses consists of an ISSN-like code preceded by the letter T. Examples: Internal code Abbreviation SELF identifier EIEDEX FPEQDT 00HE1P0 ELDATA: Int. Electron. J. Phys.-Chem Data Fluid Phase Equilib. Ph.D. Thesis (Univ. Heidelberg, Germany), S1265-1532 S0378-3812 T0049-0040 Landolt-Börnstein New Series IV/13A 30 Instructions on Using the ELBT Program on the CD Chap. 6.2 __________________________________________________________________________________________________________________________________________________ 6.2 Typing the internal code of data sources Type one or several initial characters of the internal code of the data source. You may use upper or lower case letters. These are all converted to upper case by Program. Example: Typed text Displayed internal codes JC JCEAAX JCEJAQ JCFTAR JCFTAB JCFTBS JCPBAN 6.3 Typing the SELF identifier of data sources The complete SELF identifier of data source must be typed. The hyphen may be omitted but no spaces should be left between the characters. Example: Typed text Displayed SELF identifier S1265-1532 S12651532 S1265-1532 S1265-1532 6.4 Typing the abbreviation of data sources Type an arbitrary string of one or several characters of the abbreviation of the data source. You may use upper or lower case letters. These are all converted by program to upper case. Example: Typed text Displayed abbreviations ACAD Bull. Acad. Pol. Sci., Ser. Sci. Chim. Rev. Acad. Cienc. Exactas, Fis. Quim. Nat. Zaragoza Ann. Acad. Sci. Fenn., Ser. A2 6.5 Search procedure Using the dialog box (Fig. 2) check out the Reference by Data Source button and click OK , or click first Cancel and choose the Reference / Data Source command from the main menu. Using the dialog box shown in Fig. 35, type the internal code of the data source in the Internal Code edit control (Fig. 36), or the SELF identifier of the data source in the SELF Identifier edit control (Fig. 37), or the abbreviation of the data source in the Abbreviation edit control (Fig. 38) following the instructions of Chaps. 6.2, 6.3 or 6.4, and press the Search button. The Program displays either a No Data Source found message or all the data sources matching the typed letters (Figs. 36 and 38). Landolt-Börnstein New Series IV/13A Chap. 6.5 - Fig. 35 Instructions on Using the ELBT Program on the CD 31 ________________________________________________________________________________________________________________________________________________ Fig. 35 Select data source Fig. 36 Select data source by internal code Landolt-Börnstein New Series IV/13A 32 Instructions on Using the ELBT Program on the CD Chap. 6.5 - Fig. 37 __________________________________________________________________________________________________________________________________________________ Fig. 37 Select data source by SELF identifier Fig. 38 Select data source by abbreviation Select the desired data source from the Found Data Source list and press the Select button. Choosing the Find / References command from the main menu, the Program displays all the references from the selected data source (there must be at least one reference). Select the desired reference. In order to display all the chemical systems and/or all the property types which are linked to the selected reference or (Figs. 31 and 32) and select a chemical system (there must be at least click the appropriate icons one chemical system) and a property type. The absence of an icon indicates that no numerical data files are available in Volume IV/13A for the selected search options. This is the case for any system with more than two components. The information provided is then purely bibliographic. Landolt-Börnstein New Series IV/13A Chap. 7 - Fig. 39 Instructions on Using the ELBT Program on the CD 33 ________________________________________________________________________________________________________________________________________________ 7 Primary search option: year range The Landolt-Börnstein volume number IV/13A, 2006 edition, contains 13476 bibliographical references published in the period from 1888 through mid 2006. 7.1 Search procedure Using the dialog box (Fig. 2) check out the Reference by Year Range button and click OK , or click first Cancel and choose the Reference / Year Range command from the main menu. Using the dialog box shown in Fig. 39, overtype the lower and upper limits of the selected year range in the From / To edit controls and press the OK button (Fig. 39). Choosing the Find / References command from the main menu, you display either a No Reference found message or all the references of the selected year range. Fig. 39 Select year range Select the desired reference. In order to display all the chemical systems and/or all the property types which or (Figs. 27 and 28) and select a are linked to the selected reference click the appropriate icons chemical system (there must be at least one chemical system) and a property type. This displays all the descriptors of the numerical data file corresponding to the selected reference, chemical system, and property type (Figs. 31 and 32). indicates that no numerical data files are available in Volumes IV/13A for The absence of an icon the selected search options. This is the case for any system with more than two components. The information provided is then purely bibliographic. 8 Multiple search options Chaps. 2 - 7 describe the procedure of identification of a numerical data file starting with a single preselected search option: property type, chemical system (one or two components), or reference (one or several authors, data source, or year range). The search can be extended to multiple options by selecting them from the main menu before choosing Find.. A few cases are described below. 8.1 Search options: property type and chemical system After defining a property type (see Chap. 3.4, Fig. 6), choose first the System / Add Component command from the main menu, select a chemical system as described in Chap. 4.7, Figs. 14 - 21, and then choose Find / Systems (Fig. 22). The Program may display a No System found message (for the given property type). Otherwise, click the Landolt-Börnstein New Series IV/13A 34 Instructions on Using the ELBT Program on the CD Fig. 40 - Chap. 8.2 ___________________________________________________________________________________________________________________________________________________ References linked to System icon (Fig. 40) and select a reference (there must be at least one reference). Fig. 40 Display all the references linked to a selected property type and chemical system This displays the property type, chemical system, and reference descriptors of the selected numerical data file. (Fig. 9). 8.2 Search options: property type and reference by author(s) After defining a property type (Chap. 3.4, Fig. 6), choose first the Reference / Add Author command from the main menu, select one or several authors as described in Chap. 5.3, Figs. 29 - 30, and then choose Find / References. The Program may display a No Reference found message (for the given property type). (Fig. 41) and select a system (there must be at Otherwise, click the Systems linked to Reference icon least one system). Fig. 41 Display all the chemical systems linked to a selected property type and reference This displays the property type, reference, and chemical system descriptors of the selected numerical data file. (Fig. 13). Landolt-Börnstein New Series IV/13A Chap. 8.3 - Fig. 42 Instructions on Using the ELBT Program on the CD 35 ________________________________________________________________________________________________________________________________________________ 8.3 Search options: chemical system and reference by year range After defining a chemical system as described in Chap. 4.7, Figs. 17 - 20, choose the Reference / Year Range command from the main menu, specify the year range as described in Chap. 7.1, Fig. 39, and then choose the Find / Systems command from the main menu. The Program may display a No System found (Fig. 25) and message (for the given year range). Otherwise, click the References linked to System icon select a reference (there must be at least one reference). Fig. 42 Display all the property types linked to a selected chemical system and a reference for a given year range In order to display all the property types which are linked to the selected chemical system and the reference (Fig. 42) and select a property for the given year range, click the Properties linked to Reference icon type. This displays the chemical system, reference, and property type descriptors of the selected numerical data file (Fig. 27). The absence of an icon indicates that no numerical data files are available in Volume IV/13A for the selected search options. This is the case for any system with more than two components. The information provided is then purely bibliographic. 8.4 Search options: reference by author(s) and data source After selecting one or several authors as described in Chap. 5.3, Figs. 29 and 30, choose the Reference / Data Source command from the main menu, select a data source as described in Chap. 6.5, Figs. 35 - 38, and choose the Find / References command from the main menu. Landolt-Börnstein New Series IV/13A 36 Instructions on Using the ELBT Program on the CD Chap. 9 - Fig. 43 ________________________________________________________________________________________________________________________________________________ The Program may display a No Reference found message (for the given author(s)). Otherwise, select a reference. In order to display all the chemical systems and/or all the property types which are linked to the selected author(s) and data source, click the appropriate icons or (Figs. 31 and 32) and select a chemical system (there must be at least one chemical system) and a property type. This displays the reference, chemical system, and property type descriptors of the selected numerical data file. (Fig. 33). The absence of an icon indicates that no numerical data files are available in Volumes IV/13A for the selected search options. This is the case for any system with more than two components. The information provided is then purely bibliographic. 9 Visualization of numerical data The numerical data which are available in this volume, IV/13A, can be visualized after having displayed the descriptors of property type, chemical system, and reference of the selected data file in one of the seven possible configurations shown in Figs. 5, 9, 12, 27, 28, 33, or 34. Choose the display format from the Data menu (Fig. 43). Fig. 43. Select the display format of numerical data 9.1 PDF display The PDF (Portable Document Format) display presents the numerical data in a rather traditional tabular and graphical form similar to the tables printed in the book. In addition, the property type descriptor (see Chap. 3.3) appears on the top of the table (Fig. 44). It includes the physical quantities with their SI units, the state of the chemical system, and the method used to obtain the data. The molecular formulae, primary names, and CAS registry numbers of the components are given. The full reference to the original source of data is given with the author(s) and the title of the publication. The states (of aggregation) of the chemical systems of this volume are as follows: each pure component is a liquid (subcritical fluid); the binary system is either a single-phase liquid or a two-phase liquid-liquid system. Two-phase regions are clearly marked on the PDF tables. The original units of the physical quantities have all been converted into SI units. When the number of direct experimental data points reported in the original source is very large (usually more than 50), then part of the data do not appear in the numerical PDF table. More data may appear in graphical form. In any case, this is marked in the footnote of the tables as “See SELF for the totality of data” (Fig. 44). The footnote gives merely an overall estimate of the uncertainties of the main physical quantities, usually of x1 , y1 , P, and/or T (Chap. 9.2.2). On the graph, the dotted line joining the experimental points is not a calculated best-fit, but a ‘handdrawn’ curve. Landolt-Börnstein New Series IV/13A Chap. 9.2 - Fig. 44 Instructions on Using the ELBT Program on the CD 37 ________________________________________________________________________________________________________________________________________________ Fig. 44 PDF display of a numerical data file 9.2 SELF (Standard ELectronic File) display The concept of a Standard ELectronic File (SELF) format has been developed in 1998-2002 by the Task Group on Standard Physico-Chemical Data Formats (IUCOSPED) of the International Union of Pure and Applied Chemistry (IUPAC) and the Committee on Data for Science and Technology (CODATA) in cooperation with the International Council of Scientific and Technical Information (ICSTI). A data portal, called DataExplorer (FIZ - Karlsruhe), implemented SELFs for a variety of physico-chemical properties. The structure of the ELBT SELFs follows the general format of IUCOSPED SELFs. 9.2.1 SELF structure. Identifiers Each SELF consists of two sections: (1) The header - contains four Digital Object Identifiers (DOIs) for: SELF name, property type, original source data, and chemical system; (2) the body - contains the numerical data and eventually some auxiliary identifiers. Landolt-Börnstein New Series IV/13A 38 Instructions on Using the ELBT Program on the CD Chap. 9.2 - Fig. 45 ________________________________________________________________________________________________________________________________________________ In the example shown in Fig. 45: 10.1007/b79358/2006.LB0173 is the File Identifier (SELF Name), incorporating the identifier of the publisher (10.1007), of the publication (79358), and the year of publication (2006). LB0173 is the File Number. S1265-1532(1996)2;19;22;0 is the Original Reference Identifier, incorporating the SELF identifier of the original source of data (S1265-1532), the year of publication (1996), the volume (2), the first and last page numbers, and a serial number (usually 0), to distinguish papers having the same first page number (19;22;0). 10.1007/b79358/2006.LB0173 S1265-1532(1996)2;19;22;0 EVLM1211 108-93-0 66-25-1 [NL]1 10.1007/b79358/2006.LB0175 [NP]1 [P1] .738000E+04[EP1C].70E+01[EP1A].70E+01 [NX1]23 [X1] .000000E+00[EX1].00E+00[Y1] .328950E+03[EY1].10E+00 [X1] .117000E+00[EX1].10E-02[Y1] .331150E+03[EY1].10E+00 [X1] .217000E+00[EX1].10E-02[Y1] .332850E+03[EY1].10E+00 ... [X1] .993000E+00[EX1].10E-02[Y1] .364350E+03[EY1].10E+00 [X1] .998000E+00[EX1].10E-02[Y1] .364950E+03[EY1].10E+00 [X1] .100000E+01[EX1].00E+00[Y1] .366350E+03[EY1].10E+00 Fig. 45 Structure of a SELF (completely miscible system) EVLM1211 is the Property Type Identifier, incorporating the Property Group Identifier (EVLM). The descriptors of the 17 property types (Chap. 3.3, Table 1) included in the numerical database are stored in the ELBT13APropTypes.txt file (Fig. 46) on the same drive as the program. Property Code : [EVLM1211] Property Group: VAPOR-LIQUID EQUILIBRIUM IN MIXTURES AND SOLUTIONS State : Two-component system, single-phase liquid or two-phase liquid-liquid in equilibrium with vapor Pure component 1, liquid in equilibrium with vapor Pure component 2, liquid in equilibrium with vapor Parameters : [P1] P/Pa Pressure Variables : [X1] x1/Mole fraction of component 1 in liquid phase [Y1] T/K Temperature Method : Direct measurement of T at variable x1 and constant P etc. etc. Fig. 46 Structure of the ELBT13APropTypes.txt file 108-93-0 66-25-1 are the Substance Identifiers, here the CAS registry numbers of the two components, 1 and 2. Landolt-Börnstein New Series IV/13A Chap. 9.2.2 - Fig. 47 Instructions on Using the ELBT Program on the CD 39 ________________________________________________________________________________________________________________________________________________ The descriptors of the 547 substances included in the numerical database are stored in the ELBT13ASubstances.txt file (Fig. 47) on the same drive as the program. The first line is the substance identifier (CAS RN), the following lines are the molecular formula, primary name, and alternate names (if any). 56-23-5 C Cl4 Tetrachloromethane Carbon tetrachloride R 10 R-10 # 57-55-6 C3 H8 O2 Propane-1,2-diol Propylene glycol etc. etc. Fig. 47 Structure of the ELBT13ASubstances.txt file 10.1007/b79358/2006.LB0175 is the file name of [NL]1, i.e. a single, Linked File (see Chap.9.2.4). The descriptors of the 1142 references included in the numerical database are stored in the ELBT13AReferences.txt file (Fig. 48) in the same subdirectory as the Program. The first line is the original reference identifier. S0378-3812(1986)29;257;264;0 Dolch, E.; Matovu, A.; Lichtenthaler, R. N. VLE and LLE in binary 2-methoxyethanol/alkane systems Fluid Phase Equilib. 1986, 29, 257-264. see also T0049-0040(1986);1;;0 Dolch, E. Dampf-Fluessigkeits-Gleichgewichte von Alkohol/Alkan-Mischungen und Polydimethylsiloxan (PDMS)-Loesungen Ph. D. Thesis (Univ. Heidelberg, Germany) 1986, , 1. etc. etc. Fig. 48 Structure of the ELBT13AReferences.txt file 9.2.2 Numerical data and estimated uncertainties In the body of the SELF or ELDATA file of a property type including parameters, [NP] represents the number of parameter sets (not the number of parameters) and [NX1] the number of data points in each set (block) of parameters. The numerical values are expressed in engineering style, starting with either a space, in case of positive values, or the - (minus) sign in the case of negative values, followed by a decimal point, then usually by six digits, the letter E for exponent (base 10), a + (plus) or - (minus) sign, and two digits which indicate the power of 10. In the data files each measured physical quantity is accompanied by its absolute uncertainty. The symbols: [EX1], [EX2], etc. and [EY1], [EY2], etc. are used, respectively, for the independent and the dependent variables. The uncertainties are expressed by a decimal point, followed by two digits, the letter E for exponential (base 10), a + (plus) or - (minus) sign, and two digits which indicate the power of 10 (see example, Fig. 3.6). Landolt-Börnstein New Series IV/13A 40 Instructions on Using the ELBT Program on the CD Chap. 9.3 ________________________________________________________________________________________________________________________________________________ Two uncertainties assigned to parameters: [EPC1], [EPC2], etc. express the reproducibility of the 'constant' values of the parameters. [EPA1], [EPA2], etc. express the absolute experimental uncertainty of the parameters. In the example on Fig. 49, [P1] .906900E+02[EP1C].10E-01[EP1A].20E01 means the measurements are isothermal to within [EP1C] .10E-01 (0.01 K), but the ITS-90 temperature itself, [P1] .906900E+02 (90.69 K), is known with an accuracy of only [EP1A] .20E-01 (0.02 K). The uncertainties of the different quantities, if reported by the authors, are given in the SELFs and identically in the corresponding ELDATA files. In many cases additions and corrections were necessary. In view of the difficulty of assigning the uncertainties for this type of measurements, the reported values should be regarded as rough estimates and used with care. In the footnote of the PDF tables only estimates of the overall uncertainties of the variable physical quantities, usually of x1, P, T, and y1, are given in terms of ı(x1 ), ı(P), ı(T ), and ı(y1 ), the average absolute uncertainties, or ırel(P), the average relative uncertainty of P , or more generally of ı(P)/103Pa = a + b |P/103Pa |, the average absolute uncertainty of P (where b may be equal to zero). 9.2.3 Two-phase liquid- liquid systems In the case of two-phase liquid- liquid systems the data are presented in the body of a SELF or ELDATA file in five distinct blocks. This is marked by [NB] 5. In the example Fig. 49, for the parameter value [P1] .906900E+02 (90.69 K): the first block contains [NX1] 6 data points in the homogeneous region at mole fractions of component 1 from [X1] .000000E+00 (x1 = 0.0000) to [X1] .083800E+00 (x1 = 0.0838); the fifth block contains [NX1] 3 data points in the homogeneous region at mole fractions of component 1 from [X1] .970300E+00 (x1 = 0.9703) to [X1] .100000E+01 (x1 = 1.0000); the third block contains [NX1] 10 data points in the heterogeneous region at mole fractions of component 1 from [X1] .135400E+00 (x1 = 0.1354) to [X1] .950500E+00 (x1 = 0.9505). In this region P is constant, within the limits of experimental errors. the second and fourth blocks contain [NX1] 1 data point each, which are the P values on the twophase liquid-liquid equilibrium phase boundary curve at mole fractions of component 1 [X1] .110000E+00 (x1 = 0.1100) and [X1] .960000E+00 (x1 = 0.9600). In case of absence of data in a block, [NX1] 0. 9.2.4 Linked data files Linked data files contain data for a given system corresponding to different property types, which were obtained in the same apparatus and are reported in the same publication. E. g. the file in Fig. 45, file number LB0173, property type EVLM1211, contains isobaric x1-T data. This file is linked to another numerical data file, file number LB0175, containing isobaric x1-y1 data for the same mixture at the same pressure P, property type EVLM1221. The source of data is the same. 9.3 ELDATA display The ELDATA (ELectronic DATA) display is an ASCII file containing all the numerical data in a format similar to, but more explicit, than SELF (Chap. 9.2). Like in SELF, all the data points are displayed with their uncertainties. Additionally, the descriptors of the DOIs of property type, chemical system and reference appear in the file. In the case of two-phase systems, the data blocks are clearly shown. In PDF and SELF the physical quantities are displayed in SI units and no change of units is possible. The ELDATA display permits the conversion of the SI scale and unit of temperature and of the unit of pressure, into several practical units (Chap. 9.5). Landolt-Börnstein New Series IV/13A Chap. 9.4 - Fig. 49 Instructions on Using the ELBT Program on the CD 41 ________________________________________________________________________________________________________________________________________________ 10.1007/b79358/2006.LB0445 S0021-9614(2002)34;669;678;0 EVLM1111 7727-37-9 74-84-0 [NP]1 [P1] .906900E+02[EP1C].10E-01[EP1A].20E-01 [NB]5 [NX1]6 [X1] .000000E+00[EX1].00E+00[Y1] .120000E+01[EY1].10E+02 [X1] .820000E-02[EX1].10E-03[Y1] .554400E+05[EY1].10E+02 [X1] .185000E-01[EX1].10E-03[Y1] .127280E+06[EY1].10E+02 [X1] .364000E-01[EX1].10E-03[Y1] .223450E+06[EY1].10E+02 [X1] .554000E-01[EX1].10E-03[Y1] .296670E+06[EY1].10E+02 [X1] .838000E-01[EX1].10E-03[Y1] .346970E+06[EY1].10E+02 [NX1]1 [X1] .110000E+00[EX1].15E-01[Y1] .370510E+06[EY1].10E+02 [NX1]10 [X1] .135400E+00[EX1].10E-03[Y1] .370510E+06[EY1].10E+02 [X1] .135400E+00[EX1].10E-03[Y1] .370510E+06[EY1].10E+02 [X1] .146600E+00[EX1].10E-03[Y1] .370510E+06[EY1].10E+02 ... [X1] .730100E+00[EX1].10E-03[Y1] .370510E+06[EY1].10E+02 [X1] .879000E+00[EX1].10E-03[Y1] .370510E+06[EY1].10E+02 [X1] .950500E+00[EX1].10E-03[Y1] .370510E+06[EY1].10E+02 [NX1]1 [X1] .960000E+00[EX1].15E-01[Y1] .370510E+06[EY1].10E+02 [NX1]3 [X1] .970300E+00[EX1].10E-03[Y1] .372100E+06[EY1].10E+02 [X1] .989000E+00[EX1].10E-03[Y1] .378400E+06[EY1].10E+02 [X1] .100000E+01[EX1].00E+00[Y1] .382660E+06[EY1].10E+02 Fig. 49 Structure of a SELF (two-phase liquid-liquid system) 9.4. Graphical display For all the property types, except EVLM1411, EVLM1421, and EVLM1431, the graph displays the data points as a function of the independent variable, individually for each set of parameters. The graphical display serves as dialog box for correlating the experimental data (Fig. 51). 9.5 Selection of units Choosing the Units Selection option in the Data menu (Fig. 43), the dialog box shown in Fig. 50 will appear. It displays all the physical quantities involved in the selected property type with the list of available units. In order to change the current unit of a physical quantity (initially the SI unit), highlight the physical quantity and the new unit, click first on the Change Unit button and then on the Close button. To cancel all the unit conversions click on the Restore SI button. Landolt-Börnstein New Series IV/13A 42 Instructions on Using the ELBT Program on the CD Fig. 50 - Chap. 9.6 ________________________________________________________________________________________________________________________________________________ Fig. 50 Select the unit of pressure 9.6 Correlating experimental data The ELBT.EXE program on the CD-ROM allows the correlation of the isothermal experimental P(x1) data, property types EVLM1111, EVLM1112, and EVLM1131, of completely miscible systems assuming an excess molar Gibbs energy GE model for the liquid mixture and accounting for vapor phase nonideality . In this volume, the Redlich-Kister equation, Eq. (3), identifier RK2XMIN1, has been selected among the various equations which have been proposed for GE. The partial molar excess excess Gibbs energies, µiE, Eqs. (4) and (5), the total vapor pressure P, Eq. (6), the vapor phase composition y1, Eq. (7), the excess molar Gibbs energy GE, Eq. (1), and the activity coefficients at infinite dilution, Ȗ1∞ and Ȗ2∞ , Eqs. (9) and (10), are calculated. Fig. 51 Graphical display for correlating experimental isothermal x -P - y data Landolt-Börnstein New Series IV/13A Chap. 9.6 Instructions on Using the ELBT Program on the CD 43 ________________________________________________________________________________________________________________________________________________________ The general relationships between GE, µiE, and the activity coefficients γ i∞ are: G E = ∑i xi µiE (1) µiE = RT ln Ȗi (2) For a binary system the Redlich-Kister equation: n E i −1 G / RT = ∑ A ( x − x ) i 1 2 i =1 where n is the number of adjustable parameters Ai yields: (3) n µ1E / RT = x22 { A1 + ∑ Ai [(2i − 1) x1 − x2 ]( x1 − x 2 ) i − 2 } (4) i =2 n µ2E / RT = x12 { A1 + ∑ Ai [ x1 − ( 2i − 1) x 2 ]( x1 − x 2 ) i −2 } (5) i =2 Vapor-phase imperfection and the variation of the Gibbs energy of the pure liquid components are o accounted for through the second molar virial coefficients Bij and the molar volumes Vi under saturation pressure. The correlated total vapor pressure P and the vapor composition yi are given by: 2 E P = ∑ xi Pio exp{[ µiE − ( Bii − Vio )( P − Pio ) − 2 PB12 (1 − y i ) 2 ] / RT } (6) i =1 yi = xi Pio E exp{[ µiE − ( Bii − Vio )( P − Pio ) − 2 PB12 (1 − yi ) 2 ] / RT } P (7) where E B12 = B12 − ( B11 + B22 ) / 2 ; Pio = Pexp ( x i = 1) (8) The activity coefficients at infinite dilution, Ȗ1∞ and Ȗ2∞ , are given by: n ln Ȗ1∞ = µ1E ( x1 = 0) / RT = A1 + ∑ ( −1) i Ai (9) i =2 n ln Ȗ2∞ = µ2E ( x2 = 0) / RT = A1 + ∑ Ai i =2 o All the auxiliary values, Bij and Vi , are either experimental data or they may be estimated using known prediction methods. This expression is sufficient enough for most cases, except for particular systems where real behavior of vapor phase is due to other reasons, namely association (e. g., in systems containing carboxylic acids). Landolt-Börnstein New Series IV/13A (10) 44 Instructions on Using the ELBT Program on the CD Fig. 52 - Chap. 9.7 ________________________________________________________________________________________________________________________________________________________ Using the appropriate control shown in Fig. 51, select the number n of coefficients A(i). The default value is n = 3. The number N of mixture data points should be N ≥ 1, i. e. the data set should contain at least one data point for 0 < x1 < 1, and n < N. Pressing the Do calculations button displays the auxiliary values entry box, Fig. 52. The pure component vapor pressures, P1 and P2, are displayed if present in the SELF file, i.e. if reported in the original publication Otherwise they must be entered to proceed with the correlation. The values of the second molar virial coefficients, B11, B22, and B12, and of the liquid molar volumes, V1 and V2, are not mandatory. The units of all the auxiliary values may be selected in advance (Fig. 50). Fig. 52 Auxiliary values entry box (SI units) Fig. 53 Auxiliary values entry box (changed units) 9.7 Output of correlated experimental data Enter the missing auxiliary values and click OK. This diplays the graph with the correlated P(x1) curve, the calculated P(y1) curve, the coefficients A(i) with their errors, the maximum deviations δ P and δ y1, Eqs. (11) and (12), the standard absolute deviations σ P and σ y1, Eqs. (13) and (14), and the standard relative deviations σr P and σ r y1, Eqs. (15) and (16), defined as: δP = max Pi exp − Pi calc (11) calc δy1i = max y1exp i − y1i (12) σP = {∑i [( Pi exp − Pi calc ) 2 ] / N }1/ 2 (13) calc 2 1/ 2 σy1 = {∑i [( y1exp i − y1i ) ] / N } (14) σ r P = {∑i [( Pi exp − Pi calc ) 2 /( Pi exp ) 2 ] / N }1/ 2 (15) calc 2 exp 2 1/ 2 σ r y1 = {∑i [( y1exp i − y1i ) /( y1i ) ] / N } (16) where N is the number of mixture data points, and the pressures P(Az) and compositions x1(Az) at the temperature T(Az) of the single or double azeotropes, if any. (Fig. 54) Landolt-Börnstein New Series IV/13A Chap. 9.6 - Fig. 54 Instructions on Using the ELBT Program on the CD 45 ________________________________________________________________________________________________________________________________________________________ Fig. 54 Graphical display of correlated experimental isothermal x -P - y data Selecting Show / History from the main menu (Fig. 54), displays the maximum deviations MDP = δ P and MDy1 = δ y1, Eqs. (11) and (12), the standard absolute deviations SADP = σ P and SADy1 = σ y1, Eqs. (13) and (14), and the standard relative deviations SRDP = σr P and SRDy1 = σ r y1, Eqs. (15) and (16), obtained using a sequence of (up to ten) different numbers n of coefficients (Fig. 55). The initial position of the cursor marks the choice with the smallest standard deviation in pressure. Positioning the cursor on any of the listed choices and pressing the Select button displays the corresponding graph with correlated data. Fig. 55. Select the best correlating equation Fig. 56. Display results of calculations Selecting Show / Results from the main menu, (Fig. 54), displays the calculated values in an ELDATA style ASCII file. The vapor-liquid equilibrium data are shown in Figs. 57 a and 57 b. Landolt-Börnstein Nw Series IV/13A 46 Instructions on Using the ELBT Program on the CD Fig. 57a - Chap. 9.7 _________________________________________________________________________________________________________________________________________________________ Publisher : Springer Berlin Heidelberg New York ---------------------------------------------------------------------------Property Code : [EVLM1135] Property Group: VAPOR-LIQUID EQUILIBRIUM IN MIXTURES AND SOLUTIONS State : Two-component system, single-phase liquid in equilibrium with vapor Pure component 1, liquid in equilibrium with vapor Pure component 2, liquid in equilibrium with vapor Parameters : [P1] T/K Temperature Variables : [X1] x1/Mole fraction of component 1 in liquid phase [Y1] P/Pa Pressure [Y2] y1/Mole fraction of component 1 in vapor phase Method : Calculation of P and y1 from direct experimental vapor pressure, Pexp, data at variable x1 and constant T, using a molar excess Gibbs energy correlating equation, accounting for vapor phase imperfection and the variation of the Gibbs energy of the pure liquid components through the second molar virial coefficients, Bij, and the molar volumes, Vi, under saturation pressure Component (1) : [F1]C2 H3 N [N1]Ethanenitrile [CASRN1] 75-05-8 [M1] 41.051920000 Component (2) : [F2]C6 H6 [N2]Benzene [CASRN2] 71-43-2 [M2] 78.111840000 ---------------------------------------------------------------------------ORIGINAL SOURCE OF EXPERIMENTAL DATA ---------------------------------------------------------------------------SELF Name : [10.1007/b79358/2006.LB1123] Reference : Brown, I.; Smith, F. Liquid-vapor equilibria. VI. The system s acetonitrile + benzene at 45.deg.C and acetonitrile + nitr omethane at 60.deg.C. Aust. J. Chem. 1955, 8, 62-67. ---------------------------------------------------------------------------PARAMETER ---------------------------------------------------------------------------[P1] .318150E+03 ---------------------------------------------------------------------------AUXILIARY VALUES ---------------------------------------------------------------------------[P01] .277777E+05/Pa Vapor pressure of pure component 1 [P02] .298189E+05/Pa Vapor pressure of pure component 2 [B11]-.335000E+04/cm3 mol-1 Second molar virial coefficient of component 1 [B22]-.250000E+04/cm3 mol-1 Second molar virial coefficient of component 2 [B12]-.292500E+04/cm3 mol-1 Second molar cross virial coefficient [V01] .560000E+02/cm3 mol-1 Molar volume of pure liquid component 1 [V02] .560000E+02/cm3 mol-1 Molar volume of pure liquid component 2 --------------------------------------------------------------------------CORRELATING EQUATION ---------------------------------------------------------------------------Identifier: RK2XMIN1 ---------------------------------------------------------------------------COEFFICIENTS [A(I)] AND ERRORS [EA(I)] ---------------------------------------------------------------------------[A(1)] .972565E+00[EA(1)].16E-02 [A(2)]-.100120E-02[EA(2)].38E-02 [A(3)] .117325E+00[EA(3)].77E-02 Fig. 57a. ELDATA display of correlated experimental data Landolt-Börnstein New Series IV/13A Chap. 9.7 - Fig. 57 b Instructions on Using the ELBT Program on the CD 47 ___________________________________________________________________________________________________________________________________________________________ STANDARD ABSOLUTE DEVIATIONS [SDY1] AND [SDY2], STANDARD RELATIVE DEVIATIONS [SRY1] AND [SRY2], AND MAXIMUM DEVIATIONS [MAXDY1] AND [MAXDY2] IN PRESSURE [Y1] AND VAPOR PHASE COMPSITION [Y2] ---------------------------------------------------------------------------[SDY1].37E+02[SRY1].11E-02[MAXDY1].54E+02 [SDY2].20E-02[SRY2].69E-02[MAXDY2].28E-02 ---------------------------------------------------------------------------CALCULATED [Y1] AND [Y2] DATA FOR EXPERIMENTAL [X1] VALUES AND DEVIATIONS [DY1]=[Y1](CALC)-[Y1](EXP) AND [DY2]=[Y2](CALC)-[Y2](EXP) ---------------------------------------------------------------------------[X1] .000000E+00[Y1] .298189E+05[DY1] .00E+00[Y2] .000000E+00[DY2] .00E+00 [X1] .455000E-01[Y1] .319175E+05[DY1]-.40E+02[Y2] .103708E+00[DY2]-.19E-02 ... [X1] .957300E+00[Y1] .300810E+05[DY1] .44E+02[Y2] .889018E+00[DY2]-.26E-02 [X1] .100000E+01[Y1] .277777E+05[DY1] .00E+00[Y2] .100000E+01[DY2] .00E+00 ---------------------------------------------------------------------------AZEOTROPIC DATA ---------------------------------------------------------------------------T(Az)/K : .318150E+03 P(Az)/Pa : .371008E+05 x1(Az)/- : .461213E+00 Fig. 57 b. ELDATA display of correlated experimental data In order to display graphically the calculated molar and partial molar excess Gibbs energies as a function of composition press the Derived Quantities button, Fig. 54. The maximum (or minimum) value of the molar excess Gibbs energy, GE = [Y3], and the limiting values of the partial molar excess Gibbs energies, GE1 = [Y1] and GE2 = [Y2], are shown on the ordinate axes (Fig. 58). Fig. 58 Graphical representation of the calculated excess Gibbs energy functions Landolt-Börnstein Nw Series IV/13A 48 Instructions on Using the ELBT Program on the CD Fig. 59 - Chap. 9.8 _________________________________________________________________________________________________________________________________________________________ 9.8 Creating SpreadsheetML documents The ELBT.EXE program allows importing the information of SELF and ELDATA files, as well as of the files containing the results of correlations into SpreadsheetML documents. After selecting the numerical data file LBnnnn, choose the menu entry File command (Fig. 5) and select from the dialog box (Fig. 59) the XML File/ELDATA or XML File/SELF format. Fig. 59 Select the XML display format of numerical data file (ELDATA or SELF) Fig. 60 Select the XML display format of calculated numerical data file Alternatively, after selecting the set of correlated data, choose the menu entry File/XML File/Vapor-liquid equilibrium or File/XML File /Excess Gibbs energies command (Fig. 60). The files can be saved in a user-defined directory. The default names are LBnnnn_S.XML for the SELF display of the primary data, LBnnnn_E.XML for the ELDATA display of the primary data, LBnnnnVLC.XML, for the calculated vapor-liquid equilibrium data, and LBnnnnGEC.XML for the calculated excess Gibbs energy data. The XML files can be viewed by means of MicrosoftOffice Excel 2002 or later. An example is shown in Fig. 61. 10 Extraction of bibliographic data The numerical data files of this volume refer only to 3316 binary systems of 547 substances (nonelectrolytes) and 1142 literature references. The bibliographical database of the ELBT.EXE program on the CD of this volume is much more comprehensive, giving 13476 references to experimental vapor-liquid equilibrium measurements published in the period 1888 – mid 2006 for 20937 two- to nine-component systems. These altogether 3230 components are organic or inorganic electrolytes and nonelectrolytes, ionic liquids, alloys, fused salts, polymers and other materials. As shown in Chaps. 2.2 (Fig. 5), 3.4 (Figs. 9 and 12), 4.7 (Figs. 27 and 28), and 5.3 (Figs. 33 and 34), the numerical data files which are available in this volume, IV/13A, can be displayed from the Data menu after having selected a specific data file. By choosing the Extract menu, instead of the Data menu, the Program extracts the bibliographic data from the database (Chap. 10.1). Bibliographic data can be extracted from the database even in absence of numerical data by choosing Extract from the main menu after any single or multiple search option: Find / Properties (Chap. 10.2), Find / Systems (Chap. 10.3), or Find / References (Chap. 10.4), Restricting the search to only one or two options, the Program extracts from the database a list with all the corresponding bibliographic data. The bibliographic data file is structured depending on the sequence in which the search options were selected. Landolt-Börnstein New Series IV/13A Chap. 10.1 - Fig. 61 Instructions on Using the ELBT Program on the CD 49 _________________________________________________________________________________________________________________________________________________________ Fig. 61 Calculated excess Gibbs energy functions displayed in SpreadsheetML format (GEMS1111 Property Descriptor) 10.1 Search option: data file name In order to display the bibliographic extraction file of a directly selected data file (Fig. 5), choose first Extract / Property Type with Reference and System (Fig. 62) and then File / Bibliographic Extraction File / Display (Fig. 63) from the menu bar. Landolt-Börnstein New Series IV/13A 50 Instructions on Using the ELBT Program on the CD Fig. 62 - Chap. 10.1 _________________________________________________________________________________________________________________________________________________________ Fig. 62 Extract the bibliographic data of a directly selected numerical data file Fig. 63 Display the bibliographic extraction file Three output styles for references are available. The dialog box Output Style for References (Fig. 64), opened by means of the File / Bibliographic Extraction File / Output Style menu command (Fig. 63), allows you to choose in advance the style you prefer. Fig. 64 Selecting the output style for references A typical bibliographic data extraction file is shown in Fig. 65 Output from: Landolt-Boernstein, Vol. IV/13A, Springer Berlin Heidelberg New York EVLM1221: VAPOR-LIQUID EQUILIBRIUM IN MIXTURES AND SOLUTIONS Ortega, J.; Susial, P. Vapor-liquid equilibria of binary mixtures of methy l alkanoates + isomeric butanols. ELDATA Int. Electron. J. Phys.-Chem. Dat a 1995, 1, 1-12. C4 H10 O 71-36-3 Butan-1-ol# Butyl alcohol# 1-Butanol C5 H10 O2 623-42-7 Methyl butanoate# Butanoic acid methyl ester# Methyl butyrate# Butyric acid me thyl ester Fig. 65 Bibliographic data extraction file including the full title of the reference Landolt-Börnstein New Series IV/13A Chap. 10.2 - Fig. 66 Instructions on Using the ELBT Program on the CD 51 _________________________________________________________________________________________________________________________________________________________ The bibliographic data of several, but different, directly selected data files can be extracted successively and saved in the same bibliographic data extraction file. To clear this file choose the File / Bibliographic Extraction File / Clear menu command (Fig. 63). 10.2 Search option: property type Using the dialog box (Fig. 2) check out the Property Type button and click OK , or click first Cancel and select Property from the main menu (Fig. 3). EVLM appears in the Identifier edit control. Press the Select Group button (Fig. 6). In order to display all the property types, choose Find / Properties from the main menu (Fig. 7). You may then select a property type from the Found Property list and choose Property Type with Descriptor or, directly, List of Property Types with Descriptors from the Extract menu (Fig. 66). Fig. 66 Extraction of the list of property types with their descriptors In order to display all the chemical systems corresponding to a selected property type, click first the Systems linked to Property icon (Fig. 66). You may select a chemical system from the Found System list (there must be at least one chemical system) and choose Property Type with System from the Extract menu. Alternatively, if there are several chemical systems in the Found System list, you may choose Property Type with Class of Systems from the Extract menu. Then you display the bibliographic extraction file as shown in Fig. 67. In order to display all the references corresponding to a selected property type, click first the References linked to Property icon (Fig. 66).You may select a reference from the Found Reference list (there must be at least one reference) and choose Property Type with Reference from the Extract menu. Alternatively, if there are several references in the Found Reference list, you may choose Property Type with List of References from the Extract menu. Then you display the bibliographic extraction file as shown in Fig. 68. After having selected a property type and a chemical system, click first the References linked to System icon . You may select a reference from the Found Reference list and choose Property Type with System and Reference or, directly, Property Type with System and List of References from the Extract menu (Fig. 69). You are in the same configuration as shown in Fig. 9. Landolt-Börnstein New Series IV/13A 52 Instructions on Using the ELBT Program on the CD Fig. 67 - Chap. 10.2 ___________________________________________________________________________________________ Output from: Landolt-Boernstein, Vol. IV/13A, Springer Berlin Heidelberg New York EVLM1241: VAPOR-LIQUID EQUILIBRIUM IN MIXTURES AND SOLUTIONS System #1 C H Cl3 67-66-3 Trichloromethane# Chloroform# R 20# R-20 C4 H8 O2 141-78-6 Ethyl ethanoate# Ethanoic acid ethyl ester# Ethyl acetate# Acetic acid ethyl ester System #2 C H2 O2 64-18-6 Methanoic acid# Formic acid C2 H4 O2 64-19-7 Ethanoic acid# Acetic acid# Methanecarboxylic acid System #3 C H2 O2 64-18-6 Methanoic acid# Formic acid C3 H6 O2 79-09-4 Propanoic acid# Ethanecarboxylic acid#Propionic acid System #4 C S2 75-15-0 Carbon disulfide C3 H6 O2 79-20-9 Methyl ethanoate# Ethanoic acid methyl ester# Methyl acetate# Acetic acid methyl ester etc. Fig. 67 Bibliographic data extraction file containing all the chemical systems for a given property type Output from: Landolt-Boernstein, Vol. IV/13A, Springer Berlin Heidelberg New York EVLM1341: VAPOR-LIQUID EQUILIBRIUM IN MIXTURES AND SOLUTIONS Reference #1 Clark, A. Q.; McBain, S. E.; Kilner, J. Vapour-liquid equilibrium of (ethers + hydrocarbons or methanol or water) for motor gasoline modelling. Fluid Phase Equilib. 1997, 133, 239-246. Reference #2 Batiu, I.; Jurgea, E.; Panaitescu, G. M. Vapor-liquid equilibria in the binary system methyl chavicol + (+)-fenchone. ELDATA Int. Electron. J. Phys.-Chem. Data 1995, 1, 39-42. etc. Reference #9 Kim, K.-S.; Shin, B.-K.; Lee, H.; Ziegler, F. Refractive index and heat capacity of 1-butyl-3-methylimidazolium bromide and 1-butyl-3methylimidazolium tetrafluoroborate, and vapor pressure of binary systems for 1-butyl-3-methylimidazolium bromoide + trifluoroethanol and 1-butyl-3-methylimidazolium tetrafluoroborate + trifluoroethanol. Fluid Phase Equilib. 2004, 218, 215-220. Fig. 68 Bibliographic data extraction file containing all the references for a given property type Landolt-Börnstein New Series IV/13A Chap. 10.3 - Fig. 69 Instructions on Using the ELBT Program on the CD 53 ________________________________________________________________________________________ Finally, after having selected a property type and a reference, click first the Systems linked to Reference icon . You may select a chemical system from the Found System list and choose Property Type with Reference System or, directly, Property Type with Reference and Class of Systems from the Extract menu.. You are in the same configuration as shown in Fig. 12. Fig. 69 Extraction of the list of references for a given property type and chemical system In this way you extract fully documented bibliographic data files. 10.3 Search option: chemical system Using the dialog box (Fig. 2) check out the Chemical System button and click OK , or click first Cancel and choose System from the main menu (Fig. 3). Select Component # 1 as described in Chap. 4.7 (Figs. 17 19). In order to display all the chemical systems containing Component # 1 (there must be at least one chemical system) press Find / Systems from the main menu. You may then select a chemical system from the Found System list and choose System or, directly, Class of Systems (Fig. 70) from the Extract menu.. Then you display the bibliographic extraction file as shown in Fig. 71. If you select several components and press Find / Systems from the main menu the Program displays either a No System found message or all the chemical systems in the database containing the preselected components. You may then select a chemical system from the Found System list and choose System or, directly, Class of Systems (Fig. 70) from the Extract menu. Then you display the bibliographic extraction file as shown in Fig. 72 In order to display all the property types corresponding to a selected chemical system click first the (Fig. 70).You may select a property type from the Found Property list Properties linked to System icon and choose System with Property Type or, directly, System with List of Property Types from the Extract menu. Then you display the bibliographic extraction file as shown in Fig. 73. indicates that no information is available on the property types for the . The absence of an icon selected search options. This is the case for any system with more than two components. Landolt-Börnstein New Series IV/13A 54 Instructions on Using the ELBT Program on the CD Fig. 65 - Chap. 10.3 ______________________________________________________________________________________ Fig. 70 Bibliographic data extraction: all the chemical systems containing a given component (Ethanol) System #1 C Cl4 Xe System #2 C F4 Xe System #3 C H Cl3 Xe 56-23-5 Tetrachloromethane# Carbon tetrachloride# R 10# R-10 7440-63-3 Xenon 75-73-0 Tetrafluoromethane# Carbon tetrafluoride#Freon 14# Perfluoromethane# R 14# R-14 7440-63-3 Xenon 67-66-3 Trichloromethane# Chloroform# R 20# R-20 7440-63-3 Xenon etc. System #115 C6 H14 H2 O Xe 75-83-2 2,2-Dimethylbutane# Neohexane 7732-18-5 Water# Oxidane# R 718# R-718 7440-63-3 Xenon Fig. 71 Bibliographic extraction file of all the chemical systems containing a given component (Xenon) In order to display all the references corresponding to a selected chemical system (there must be at least one reference) click first the References linked to System icon (Fig. 70).You may select a reference from the Found Reference list and choose System with Reference or, directly, System with List of References from the Extract menu.. Then you display the bibliographic extraction file as shown in Fig. 74. Landolt-Börnstein New Series IV/13A Chap. 10.3 - Fig. 72 Instructions on Using the ELBT Program on the CD 55 ___________________________________________________________________________________________________________________________________________________ Output from: Landolt-Boernstein, Vol. IV/13A, Springer Berlin Heidelberg New York System #1 H2 O F H System #2 C O2 H2 O F H 7732-18-5 Water# Oxidane# R 718# R-718 7664-39-3 Hydrogen fluoride# Fluorane# Hydrofluoric acid 124-38-9 Carbon dioxide# R 744# R-744 7732-18-5 Water# Oxidane# R 718# R-718 7664-39-3 Hydrogen fluoride# Fluorane# etc. Hydrofluoric acid System #21 C2 H4 O2 H2 O F H H N O3 H3 O4 P 64-19-7 Ethanoic acid# Acetic acid# Methanecarboxylic acid 7732-18-5 Water# Oxidane# R 718# R-718 7664-39-3 Hydrogen fluoride# Fluorane# Hydrofluoric acid 7697-37-2 Nitric acid 7664-38-2 Phosphoric acid Fig. 72 Bibliographic extraction file of all the chemical systems containing two given components (Water and Hydrogen fluoride) Output from: Landolt-Boernstein, Vol. IV/13A, Springer Berlin Heidelberg New York C6 H6 71-43-2 Benzene C6 H12 110-82-7 Cyclohexane Property #1 EVLM1111: VAPOR-LIQUID EQUILIBRIUM IN MIXTURES Property #2 EVLM1141: VAPOR-LIQUID EQUILIBRIUM IN MIXTURES Property #3 EVLM1131: VAPOR-LIQUID EQUILIBRIUM IN MIXTURES Property #4 EVLM1231: VAPOR-LIQUID EQUILIBRIUM IN MIXTURES Property #5 EVLM1211: VAPOR-LIQUID EQUILIBRIUM IN MIXTURES AND SOLUTIONS AND SOLUTIONS AND SOLUTIONS AND SOLUTIONS AND SOLUTIONS Fig. 73 Bibliographic extraction file of all the property types for a given chemical system containing two given components (Benzene and Cyclohexane) After having selected a chemical system and a property type, click first the References linked to System icon . You may select a reference from the Found Reference list and choose System with Property Type and Reference or, directly, System with Property Type and List of References from the Extract menu. You are in the same configuration as shown in Fig. 28. Then you display the bibliographic extraction file as shown in Fig. 74. Finally, after having selected a chemical system and a reference, click first the Properties linked to Reference icon . You may select a property type from the Found Property list and choose System with Reference and Property Type or, directly, System with Reference and List of Property Types from the Extract menu. You are in the same configuration as shown in Fig. 27. Then you display the bibliographic extraction file as shown in Fig. 75 Landolt-Börnstein New Series IV/13A 56 Instructions on Using the ELBT Program on the CD Fig. 74 - Chap. 10.4 _______________________________________________________________________________________ indicates that no information is available on the property types for the The absence of an icon selected search options. This is the case for any system with more than two components. Output from: Landolt-Boernstein, Vol. IV/13A, Springer Berlin Heidelberg New York C2 H4 O2 64-19-7 Ethanoic acid# Acetic acid# Methanecarboxylic acid C6 H6 71-43-2 Benzene EVLM1131: VAPOR-LIQUID EQUILIBRIUM IN MIXTURES AND SOLUTIONS Reference #1 Miyamoto, S.; Nakamura, S.; Iwai, Y.; Arai, Y. Measurement of isothermal vapor-liquid equilibria for hydrocarbon + monocarboxylic acid binary systems by a flow-type apparatus. J. Chem. Eng. Jpn. 2000, 45, 857-861. Reference #2 Werner, G. Vapor-liquid phase equilibria in the benzene - acetic acid and n-heptane - acetic acid systems ar 20.0 .deg.C. J. Prakt. Chem. 1965, 29, 26-35. Fig. 74 Bibliographic data extraction file containing all the references for a given chemical system (Ethanoic acid + Benzene) and property type (EVLM1131) Output from: Landolt-Boernstein, Vol. IV/13A, Springer Berlin Heidelberg New York C10 H16 O 4695-62-9 (1R,4S)-(+)-1,3,3Trimethylbicyclo[2.2.1]heptan-2-one# (1R,4S)-(+)-1,3,3-Trimethylnorb ornan-2-one# (+)-Fenchone C10 H12 O 140-67-0 4-Allyl-1-methoxybenzene# 4Allylanisole# Chavicol methyl ether# Methyl chavicol# Estragole Batiu, I.; Jurgea, E.; Panaitescu, G. M. ELDATA Int. Electron. J. Phys.-Chem. Data 1 (1995) 39-42. Property #1 EVLM1211: VAPOR-LIQUID EQUILIBRIUM IN MIXTURES AND SOLUTIONS Property #2 EVLM1221: VAPOR-LIQUID EQUILIBRIUM IN MIXTURES AND SOLUTIONS Property #3 EVLM1341: VAPOR-LIQUID EQUILIBRIUM IN MIXTURES AND SOLUTIONS Fig. 75 Bibliographic data extraction file containing all the property type for a given chemical system and reference 10.4 Search option: reference Using the dialog box (Fig. 2) check out the Reference by Author(s) button and click OK , or click first Cancel and choose Reference / Add Author from the main menu (Fig. 30). Select the author(s) as described in Chap. 5.3 (Figs. 29 - 30). In order to extract the references of the selected author(s) choose first Find / References from the main menu. The program displays either a No Reference found message or all the references of the selected author(s). You may then select a single reference from the Found Reference list and choose Reference, or, directly, List of References from the Extract menu (Fig. 76). Then you display the bibliographic extraction file as shown in Fig. 77. Landolt-Börnstein New Series IV/13A Fig. 76 - Chap. 10.4 Instructions on Using the ELBT Program on the CD 57 ______________________________________________________________________________________ Fig. 76 Extraction of the list of all the references of a given author Output from: Landolt-Boernstein, Vol. IV/13A, Springer Berlin Heidelberg New York Reference #1 De Haan, A. B.; Heine, A.; Fischer, K.; Gmehling, J. Vapor-liquid equilibria and excess enthalpies for octane + N-methylacetamide, cyclooctane + N-methylacetamide, and octane + acetic anhydride at 125.deg.C. J. Chem. Eng. Data 1995, 40, 1228-1232. Reference #2 De Haan, A. B.; Fischer, K.; Haacke, M.; Gmehling, J. Vapor-liquid equilibria and excess enthalpies for binary mixtures of N-ethylacetamide with 1-octene, dipropylamine, triethylamine, pyridine, and methanol at 125.deg.C. J. Chem. Eng. Data 1997, 42, 597-602. etc. Reference #29 Strothmann, B.; Fischer, K.; Gmehling, J. Measurement of thermodynamic properties for the system sulfur hexafluoride + water. J. Chem. Eng. Data 1999, 44, 388-392. Fig. 77 Bibliographic data extraction file containing all the references of given authors (Fischer, K. and Gmehling, J.) Following the instructions of Chaps. 6.5 and 7.1 you can extract a reference or the list of references corresponding to a given data source or year range. You can restrict the search by selecting multiple reference search options. For example, the procedure described in Chap. 8.4 enables you to extract in the bibliographic data file all the references of a given author published in a given data source. Landolt-Börnstein New Series IV/13A 58 Instructions on Using the ELBT Program on the CD Fig. 78 - Chap. 10.4 _________________________________________________________________________________________ In order to extract the property types corresponding to a selected reference click first the Properties linked to Reference icon (Fig. 76).You may then select a single property type from the Found Property list and extract it by choosing Reference with Property Type or extract all the properties by choosing Reference with List of Property Types from the Extract menu. In order to extract the chemical systems corresponding to a selected reference click first the Systems linked to Reference icon (Fig. 76).You may then select a single chemical system (there must be at least one chemical system) from the Found System list and extract it by choosing Reference with System, or extract all the chemical systems by choosing Reference with Class of Systems, from the Extract menu. After having selected a property by clicking , you can extract the chemical systems corresponding to the selected reference and property type by clicking first the Systems linked to Reference icon . You may then select a single chemical system (there must be at least one chemical system) from the Found System list and extract it by choosing Reference with Property Type and System, or extract all the chemical systems by choosing Reference with Property Type and Class of Systems, from the Extract menu. You are in the same configuration as shown in Fig. 34. Finally, after having selected a chemical system by clicking (Fig. 76), you can extract the property types corresponding to the selected reference and chemical system by clicking first the Properties linked to Reference icon . You may then select a single property type from the Found Property list and extract it by choosing Reference with System and Property Type, or extract all the property types by choosing Reference with System and Property Types, from the Extract menu. You are in the same configuration as shown in Fig. 33. A typical bibliographic data extraction file is shown in Fig. 78. The absence of an icon indicates that no information is available on the property types for the selected search options. This is the case for any system with more than two components. Output from: Landolt-Boernstein, Vol. IV/13A, Springer Berlin Heidelberg New York Bernatova, S.; Wichterle, I. Isothermal vapour-liquid equilibrium in the A systems. Fluid Phase Equilib. 2001, 189, 111-118. EVLM1131: VAPOR-LIQUID EQUILIBRIUM IN MIXTURES AND SOLUTIONS System #1 C4 H10 O C7 H16 O2 System #2 C8 H18 C7 H16 O2 75-65-0 2-Methylpropan-2-ol# tert-Butanol# tert-Butyl alcohol# 2-Methyl-2propanol 57018-52-7 2,2-Dimethyl-3-oxahexan-5-ol# 1-tertButoxy-2-propanol# Propylene glycol 1tertbutyl ether 540-84-1 2,2,4-Trimethylpentane# Isooctane 57018-52-7 2,2-Dimethyl-3-oxahexan-5-ol# 1-tertButoxy-2-propanol# Propylene glycol 1tertbutyl ether Fig. 78 Bibliographic data extraction file containing all the chemical systems for a given reference and property type Landolt-Börnstein New Series IV/13A Fig. 79 - Chap. 11 Instructions on Using the ELBT Program on the CD 59 ________________________________________________________________________________________ 11 Help system The Help system allows you to view help topics using the Contents tab, browse the Index for relevant topics or search for keywords. To access the Help system choose Contents from the Help menu (Fig. 79). You can print the help windows by selecting the Print option from the file menu. Fig. 79 Accessing the help system 12 Adobe®Reader The Adobe®Reader version 4.0 or later is required to view the PDF files (Chap. 9.1). Adobe®Reader version 4.0.5 is available on the CD. In order to install it, follow the instructions in the readme.txt file. 13 Microsoft®Office Excel Microsoft® Office Excel version 2002 or later is required to view the SpreadsheetML documents (Chap. 9.8). 14 Print setup The Print Setup menu command allows you to set or change the parameters of your printer. Select Print Setup from the File menu (Fig. 71). Fig. 80 Setting the parameters of the printer 15 Technical support If you note that the ELBT Program fails to work properly, try to rebuild all the index files by selecting File / Indexation from the main menu (Fig. 80). For support on installation or use of the ELBT Program, please contact: ELDATA 6, Rue Lacepede 75005 Paris, France Tel/Fax: 33 1 44 27 68 44 Fax: 33 1 45 35 44 73 E-mail: kehiaian@paris7.jussieu.fr Landolt-Börnstein New Series IV/13A