CHEM 236
Physical Chemistry for Chemical Engineers
NJIT
Spring Semester 2014
Catalog Data:
Chem 236 Physical Chemistry for Chemical
Engineers
(4 - 1 -4) Prerequisites: Chem 231 or Che 230.
The topics include thermochemistry, phase
transition and phase diagrams, chemical
equilibria, kinetic theory of gases, transport
phenomena, and chemical kinetics.
Textbook:
P. W. Atkins and J. de Paula
Physical Chemistry
9th Edition, Freeman and Co.
2010, ISBN-13:978-1-4292-1812-2
ISBN: 1-4292-1812-6
Chapters to be covered:
(3, 4)a 5, 6, 20, 21, 22
a) Review of the basic concepts of
thermodynamics that are not covered (or covered
insufficiently) in Che 230.
Chapter 3: 3.1 - 3.9.
Chapter 4.
Chapter 5: 5.1 - 5.4, 5.6 - 5.13.
Chapter 6: 6.1 - 6.4.
Chapter 20: 20.1-20.7
Chapter 21: 21.1-21.9
Chapter 22: 22.1, 22.4
Course Objectives:
The course is designed to review the
thermochemistry, and to introduce students to
phase equilibria in one- and multi-component
systems, chemical equilibria, thermodynamics of
ions in solutions, transport phenomena, chemical
kinetics and dynamics.
Prerequisites by Topic:
Basic chemical principles,
Basic principles of thermodynamics
Functions of two and several variables
Partial derivatives
Integrals
Ordinary differential equations
Course Outline:
Lecture 1. Gibbs and Helmholtz Free Energy.
The Fundamental Equation. Review of the
Properties. (1/2 week)
Lecture 2. Third Law of Thermodynamics. Third
Law entropies. Thermochemistry. Reference
States of Elements. Enthalpy, Entropy and Gibbs
Energy of Chemical Reactions. Temperature
Dependence of Gibbs Energy. Gibbs-Helmholtz
Relationship (1/2 week)
Lecture 3, 4. Open systems. Chemical Potential.
Phase Equilibria in One-Component Systems. (1
week)
Lectures 5, 6. Thermodynamics of Simple
Mixtures. Solutions (1 week)
Lectures 7, 8. Thermodynamics of Ions in
Solutions. The Debye-Huckel Theory (1 week).
First Midterm Exam
Lectures 9, 10, 11. Phase diagrams. Distillation.
Temperature-composition diagrams. Liquidliquid phase diagrams. Liquid-solid phase
diagrams (1 1/2 weeks).
Lectures 12, 13. Chemical equilibrium. The
response of equilibria to temperature and
pressure. (1 week)
Lectures 14, 15. Molecules in motion. Collisions.
Effusion. Migration down gradients. Transport
properties of a perfect gas (1 week)
Lectures 16, 17. The conductivities of electrolyte
solutions. The mobilities of ions. Diffusion (1
week).
Second Midterm Exam
Lectures 18 - 21. The rates of chemical reactions.
Reactions approaching equilibrium. The
temperature dependence of reaction rates.
Elementary reactions. The Steady-State
approximation. Unimolecular reactions (2
weeks).
Lectures 22-24. The kinetics of complex
reactions. The structure of chain reactions.
Explosions. Photochemical reactions.
Polymerization. Catalysis (1 1/2 weeks).
Lecture 25 - 26. Molecular reaction dynamics.
Collision theory. The reaction coordinate and the
transition state. The Transition State Theory (1
week)
Instructor:
Dr. Lev Krasnoperov
Tiernan Hall
Room 358, phone x3592
krasnoperov@adm.njit.edu
Office Hour:
Fridays, 11:30 am – 12:30 pm
Room 358 Tiernan Hall.
Grading:
Hour Exam 1
200
(after approx. 4 - 5 weeks)
Hour Exam 2
200
(after approx. 8 - 9 weeks)
Final Exam
300
Homeworksa)
(via Quizes)
Attendance
220
80
---------------------------------------Total:
1000
Grade determination. Scores less than 45% of the total normally result in F. Scores
larger than 85% of total always result in A. The distribution of the grades between these
benchmarks as well as the F and A boundaries depend on the overall performance of the
class.
a)
Homework grades will be given based on THREE quizes 110 pts each, 35 min, two
problems similar to those from the homework assignments, with different numerical
data, TWO BEST quizes will be taken into account (homework grades will be assigned
contingent submission of all homework assignments).
The NJIT honor code will be upheld and any violations will be brought to the immediate
attention of the Dean of Students.
Students will be consulted with by the instructor and must agree to any modifications or
deviations from the syllabus throughout of the semester.
Learning outcomes:
By the end of the course, you should be able to do the following:
1. Calculate thermodynamic functions of chemical reactions (enthalpy, entropy,
Gibbs energy, heat capacity) based on the tabulated data at the reference and
arbitrary temperatures.
2. Sketch, interpret and use phase diagrams for one component systems.
3. Derive the basic thermodynamic relations and to state the approximations and
the applicability.
4. Calculate the thermodynamic functions of components in pure compounds and
mixtures.
5. Sketch the phase diagrams for liquid-gas, liquid-liquid, and liquid-solid
equilibria for mixtures and to interpret them.
6. Calculate activities of ions in solutions.
7. Calculate the transfer parameters (diffusion coefficient, viscosity, thermal and
electrical conductivity).
8. Determine the Arrhenius parameters of a chemical reaction from the rate vs.
temperature data.
9. Process data for reactions of simple orders.
10. Build up mechanisms of complex chemical reactions, construct corresponding
systems of ODE, and use the steady-state approximation.
11. Estimate rate constants of elementary chemical reactions using the Simple
Collision Theory and the Transition State Theory.
Prepared:
Dr. Lev Krasnoperov
Date:
January 17, 2014
CHEM 236, Physical Chemistry for Chemical Engineers
Spring 2014
Atkins, 8th edition
Homework is due one week later after the assignment. The date of the assignment of the
first homework is the first lecture. Adjustments due to the delay caused by the class
cancellations or other reasons that cannot be foreseen are possible.
Homework assignments:
Homework
Exercises
Problems
#1
2.17a, 2.19a, 2.20a, 2.25a,2.30a
2.7
#2
3.8a, 3.10a, 3.17a, 4.1a, 4.9a
3.22, 3.25, 3.11, 3.6, 4.8
#3
5.1a, 5.3a, 5.15a, 5.6a, 5.11a, 5.14a
5.1, 5.2, 5.8
#4
6.1a, 6.2a, 6.3a, 6.4a, 6.6a
6.1
#5
6.5a, 6.7a, 6.9a
6.3, 6.5, 6.7
#6
7.1a, 7.2a, 7.3a
7.4, 7.8
#7
7.6a, 7.7a, 7.9a, 7.13a, 7.17a
7.1, 7.6
#8
21.3a, 21.5a, 21.6a, 21.9a, 21.17a, 21.20a, 21.21a -
#9
21.22a, 21.25a, 21.26a, 21.27a, 21.29a
21.8, 21.11
#10
22.1a, 22.3a, 22.5a, 22.8a, 22.10a, 22.14a
22.1, 22.5, 22.16
#11
22.16a
22.6, 22.18, 22.21
#12
23.1a, 23.5a, 23.6a, 23.8a, 24.4a, 24.11a, 24.14a
23.5
CHEM 236, Physical Chemistry for Chemical Engineers
Spring 2014
Atkins, 9th Edition
Homework is due one week later after the assignment. The date of the assignment of the
first homework is the first lecture. Adjustments due to the delay caused by the class
cancellations or other reasons that cannot be foreseen are possible.
Homework assignments:
Homework
Exercises
Problems
#1
2.18a, 2.20a, 2.21a, 2.26a, 2.31a
2.7
#2
3.8a, 3.10a, 3.17a, 4.9a, 4.16a
3.22, 3.25, 3.11, 3.6, 4.8
#3
5.1a, 5.3a, 5.15a, 5.6a, 5.11a, 5.14a
5.1, 5.2, 5.8
#4
5.22a, 5.23a, 5.24a, 5.26a
5.17
#5
5.26a, 5.27a
5.19, 5.21, 5.23
#6
6.4a, 6.5a, 6.6a
6.4, 6.8
#7
6.10a, 6.13a, 6.15a, 6.19a, 6.23a
6.1, 6.6
#8
20.5a, 20.7a, 20.8a, 20.10a, 20.19a, 20.21a, 20.22a -
#9
20.23a, 20.25a, 20.26a, 20.27a, 20.31a
20.7, 20.10
#10
21.2a, 21.4a, 21.7a, 21.10a, 21.11a, 21.14a
21.1, 22.13
#11
21.17a
21.5, 21.23
#12
21.16a, 23.1a, 21.22a, 22.4a, 22.12a, 22.15a
22.8