COMSATS University Islamabad, Lahore Campus Assignment 1 – Chemical Reaction Engineering SP-2022 Course Title: Chemical Reaction Engineering Course Code: Course Instructor Dr. Asad Ullah Khan/ Dr. Arif Hussain Semester: 6th Programme Name: A Batch: Submission Date: 16-03-2022 Student’s Name: Shafaq Imtiaz FA19-CHE Section: A Total Marks Reg. No. CHE-331 Credit Hours: BS Chemical Engineering Assignment Date: 4(3,1) 03-03-2022 10 FA19-CHE-019(A) Important Instructions / Guidelines: Copying other student’s assignments are strictly prohibited. In addition, offenses will be reported to the HOD office, which may result in further disciplinary action, including suspension or expulsion from the program. Penalties will be given without discussion or warning. Note that you are responsible for not leaving copies of your assignments lying around and for protecting your files accordingly. Question 1: - (CLO1, C2, PLO1) (4) Referring to the text material and the reference book on Chemical Reaction Engineering, discuss in detail on the following industrial reactors (with photos). Your discussion must include the characteristics, kind of phases, their specific use, advantages, and disadvantages. 1. 2. 3. 4. Semi-batch CSTRs in series Fluidized bed reactor Trickle bed reactor Question 2: - (CLO1, C2, PLO1) (4) Now that you have developed a little knowledge of application of Chemical Reaction Engineering, find an article on the web or in a journal that deals with the application of CRE, or that covers a topic that interests you. Give a brief synopsis of the article and describe anything new you learned from the article and/or how it relates to what you have learned in class. (Maybe you could keep a journal, too, because you never know when an interesting concept will come in handy later in life.) Question 3: - (CLO2, C3, PLO1) (2) The reaction A B is to be carried out isothermally in a continuous flow reactor. Apply the fundamental design equations to find the volume of CSTR and PFR necessary to consume 99% of A (i.e., CA = 0.01CAo). When the entering molar flow rate is 5 mol/hr and υo = 10dm3/h, CA0 = 0.5mol/dm3, assuming the reaction rate –rA as a) –rA = k b) –rA = kCA c) –rA = kCA 2 k = 0.05mol/h.dm3 * (n+x/n+y) k = 0.0001s-1 * (n+x/n+y) k = 3dm3/mol.h * (n+x/n+y) Repeat (a), (b) and (c) to calculate the time necessary to consume 99.9% of species A in a 1000dm3 constant volume batch reactor. (*where n is numerical part of your roll number and values of x and y are according to the following: x = 5 and y = 3 for n = 1 to 20; x = 3 and y = 4 for n = 21 to 40 and x = 6, and y = 5 for n > 40). Page 1 of 9 Solution 01: 1. Semi-batch: A semi-batch reactor is a variation of a batch reactor in which one reactant may be added intermittently or continuously to another reactant contained in a vessel as reaction proceeds. Characteristics: Run on steady-state or unsteady-state with respect to the flowing phase semi-batch reactor gives benefit of anything by changing the contacting pattern. Phases: The reaction may be single-phase or multi-phase. For a multiphase reaction in which one phase flows continuously through a vessel containing a batch of another phase. Specific Use: Semi-batch reactors are required in case of chemical reactions with a high heat effect, so one of the reagents is slowly fed to the other component(s), which is already in the reactor. Advantages: Good temperature control. Unwanted side-reactions minimized. Disadvantages: High labor cost per unit product. Large scale production difficult to achieve. Reactor operations difficult to analyze. 2. CSTRs in series: The CSTR is always operating on lowest concentration, the exit concentration. When say two CSTRs are in series, the first operates at a higher concentration, therefore the rate is greater, therefore the conversion is greater. The second reactor in series builds on the conversion in the first reactor. Characteristics: Exit stream has the same composition as in the tank. The feed assumes a uniform composition throughout the reactor. Page 2 of 9 Run at steady state with continuous flow of reactants and products. Phases: Liquid phase Gas-liquid reactions Solid-liquid reactions Specific use: When agitation is required and series configurations for different concentration streams. Advantages: Easily adapts to two phase runs. Good control. Easy to clean. Disadvantages: Lowest conversion per unit volume. By passing and channeling possible with poor agitation. 3. Fluidized bed Reactor: In fluidized bed, the fluidization of the particles in the reactor leads to the surface of the particles being continuously turned over. Characteristics: The distinguishing feature of a fluidized bed reactor is that the bed of solid particles or catalyst is supported by an up flow of gas. Thermal uniformity, offered by fluidized systems. Phases: Fluidized beds are typically categorized as either being: 2 phase system which are not aerated 3 phase system which is aerated by sparging Specific use: Used in the petrochemical for catalytic cracking. Advantages: A high concentration of cells can be immobilized in the reactor due to the larger surface area for cell immobilization is available Mass transfer rates are higher due to the larger surface area and the higher levels of mixing in the reactor. Disadvantages: Fluidized bed reactors are more difficult to design. Design considerations include: Page 3 of 9 Setting the flow rate to achieve fluidization Ensuring that bubble size remains small during the fermentation. 4. Trickle-bed reactor: A trickle-bed reactor (TBR) is a chemical reactor that uses the downward movement of a liquid and the downward (co-current) or upward (countercurrent) movement of gas over a packed bed of (catalyst) particles. Characteristics: Trickle bed reactors are solid-liquid-gas contacting devices. The fluid flows over catalyst particles and forms fine films, rivulets, or droplets. Phases: Liquid phase Gas-liquid reactions Solid-liquid reactions Specific use: In the treatment of wastewater trickle bed reactors are used where the required biomass resides on the packed bed surface. Advantages: Lower total energy consumption since solids are stagnant, not suspended in slurry Simple to operate under high temperatures and pressures. Disadvantages: Difficult to scale up due to dependence on fluid dynamics of system Channeling may occur, leading to inefficiencies Solution 02: The Journal selected is “Application of Chemical Reaction Engineering principles to biological systems” by Jong Hwan Sung, available in PMC. In this Journal, the author explains that Living cells can be described by the principles of chemical reaction engineering. In principle, biological systems can be considered as chemical reactors (a single reactor or combination of reactors) at various length and time scales. The application of chemical engineering principles to understand and describe cellular systems is well known in the bioprocess engineering literature. Single cells can be described mathematically using the principles of chemical reaction engineering, and their changes in physiology can be linked to changes in external parameters such as concentrations of nutrients, chemical signaling factors, and physical parameters such as pH, temperature, and shear stress. Concept that a living cell is basically a chemical reactor: This concept that a living cell is basically a chemical reactor can be extended further to biological systems of a wide range of length scale. Considering the fact that the human body has hierarchical structures, Page 4 of 9 with appropriate simplification and segmentation, the part or the whole of the human body can be considered as a ‘living reactor’, with inputs and outputs, and reactions occurring inside. The ‘living reactor’ can refer to a part or the whole of an organism, ranging from a single molecule (DNA or protein) to cells, tissues, organs, and the whole body. some illustrative examples of biological systems that can be modeled using principles of chemical reaction engineering are PBPK modeling: Physiologically based pharmacokinetic models are basically a mass balance on a substance in the body, treating the body as a ‘reactor’. Enzyme reactions: The knowledge about the important parameters related to the reaction kinetics of enzymes and transport of molecules within the reactor helps one to optimize reactor design and operating conditions. Solution 03: Given data: A B Isothermal reaction 99% of A consumption, conversion = 0.99 CA = 0.01 CA0 FA0 = 5mol/hr υo = 10dm3/hr CA0 = 0.5 mol/dm3 Continuous flow reactor FA a) –rA = k k = 0.05mol/h.dm3 * (n+x/n+y) Calculation of K using n = 19(roll no) & x = 5 & y=3 K = 0.0545 mol/h.dm3 - CSTR Volume: 𝑽= 𝑭𝑨𝟎−𝑭𝑨 −𝒓𝑨 Rewriting equation in terms of concentration: 𝑽= 𝑪𝑨𝟎 𝑽𝟎 − 𝑪𝑨 𝑽𝟎 −𝒓𝑨 Substituting values into equation: Given that -rA = k, therefore: -rA = 1.0909 mol/h.dm3 Page 5 of 9 𝑽= 𝒎𝒐𝒍 𝒅𝒎𝟑 𝒎𝒐𝒍 𝒅𝒎𝟑 )(𝟏𝟎 ) −(𝟎.𝟎𝟎𝟓 )(𝟏𝟎 ) 𝒅𝒎𝟑 𝒉𝒓 𝒅𝒎𝟑 𝒉𝒓 𝒎𝒐𝒍 0.0545 𝒉.𝒅𝒎𝟑 (𝟎.𝟓 V = 90.825 dm3 - PFR Volume: 𝒅𝑭𝑨 𝒅𝑽 = 𝒓𝑨 𝒅𝑪𝒂 𝑽𝟎 =-K 𝒅𝑽 Rearranging equation: 𝑪𝒂𝟎 𝒗𝟎 ∫ 𝒅𝑽 = ∫ 𝒅𝑪𝒂 𝒌 𝑪𝒂 𝑽 = 𝒗𝟎 𝒌 (CA0 -Ca) Substituting values into equation: 𝑽 = (𝟏𝟎 𝒅𝒎𝟑 𝒉𝒓 𝒎𝒐𝒍 𝒎𝒐𝒍 𝒎𝒐𝒍 ) /(0.0545 𝒉.𝒅𝒎𝟑) (𝟎. 𝟓 𝒅𝒎𝟑 − 𝟎. 𝟎𝟎𝟓 𝒅𝒎𝟑) V = 90.825 dm3 b) –rA = kCA k = 0.0001s-1 * (n+x/n+y) - Calculation of K using n = 19 & x = 5 & y=3 K = 0.00010909 s-1 - CSTR Volume: 𝑽= 𝑭𝑨𝟎−𝑭𝑨 −𝒓𝑨 Rewriting equation in terms of concentration: 𝑽= 𝑪𝑨𝟎 𝑽𝟎 − 𝑪𝑨 𝑽𝟎 Substituting values into equation: Given that -rA = kCa, therefore: mol/dm3 𝒌𝑪𝒂 -rA = 0.00010909 s-1 * 3600 s/hour * 0.005 Page 6 of 9 𝑽= 𝒎𝒐𝒍 𝒅𝒎𝟑 𝒎𝒐𝒍 𝒅𝒎𝟑 )(𝟏𝟎 ) −(𝟎.𝟎𝟎𝟓 )(𝟏𝟎 ) 𝒅𝒎𝟑 𝒉𝒓 𝒅𝒎𝟑 𝒉𝒓 𝟏 𝟑𝟔𝟎𝟎𝟎𝒔 𝒎𝒐𝒍 0.00010909 ( ) ∗ ∗ 𝟎.𝟎𝟎𝟓 𝒔 𝟏𝒉𝒓 𝒅𝒎𝟑 (𝟎.𝟓 V = 2520.85 dm3 - PFR Volume: 𝒅𝑭𝑨 = 𝒓𝑨 𝒅𝑽 𝒅𝑪𝒂 𝑽𝟎 = - KCa 𝒅𝑽 Rearranging equation: 𝑪𝒂𝟎 𝑽𝟎 𝒅𝑪𝒂 ∫ 𝒅𝑽 = ∫ 𝒌 𝑪𝒂 𝑪𝒂 𝑽= 𝐕= 𝒗𝟎 𝒌 𝐯𝟎 𝐤 (lnCA0 - lnCa) CA0 (ln( CA )) Substituting values: 𝐕= 𝐝𝐦𝟑 ) 𝐡𝐫 𝟏 𝟑𝟔𝟎𝟎𝟎𝒔 0.00010909 ( ) ∗ 𝒔 𝟏𝒉𝒓 𝟏𝟎( 0.5 (ln(0.005)) V = 117.262 dm3 c) –rA = kCA 2 k = 3dm3/mol.h * (n+x/n+y) - Calculation of K using n = 19 & x = 5 & y=3 K = 3.2727 dm3/mol.h - CSTR Volume: 𝑽= 𝑭𝑨𝟎−𝑭𝑨 −𝒓𝑨 Rewriting equation in terms of concentration: 𝑽= 𝑪𝑨𝟎 𝑽𝟎 − 𝑪𝑨 𝑽𝟎 𝒌𝑪𝒂𝟐 Page 7 of 9 Substituting values into equation: Given that -rA = kCa2, therefore: -rA = 3.2727 dm3/mol.h * (0.005 mol/dm3)2 𝒎𝒐𝒍 𝒅𝒎𝟑 𝒎𝒐𝒍 𝒅𝒎𝟑 )(𝟏𝟎 ) −(𝟎.𝟎𝟎𝟓 )(𝟏𝟎 ) 𝒅𝒎𝟑 𝒉𝒓 𝒅𝒎𝟑 𝒉𝒓 𝒅𝒎𝟑 𝒎𝒐𝒍 ^𝟐 3.2727 ∗ 𝟎.𝟎𝟎𝟎𝟎𝟐𝟓 𝒎𝒐𝒍.𝒉 𝒅𝒎𝟔 (𝟎.𝟓 𝑽= V = 60500.50 dm3 - PFR Volume: 𝒅𝑭𝑨 𝒅𝑽 = 𝒓𝑨 𝒅𝑪𝒂 𝑽𝟎 = - KCa2 𝒅𝑽 Rearranging equation: 𝑪𝒂𝟎 𝑽𝟎 𝒅𝑪𝒂 ∫ 𝒅𝑽 = ∫ 𝒌 𝑪𝒂𝟐 𝑪𝒂 Integrating Equation: 𝑽= 𝑽= 𝟏𝟎 𝒅𝒎𝟑/𝒉𝒓 𝒗𝟎 𝒌 1 ( 𝐶𝐴- 1 𝐶𝐴0 ) 1 1 ( 0.005𝑚𝑜𝑙/𝑑𝑚3 - 0.5𝑚𝑜𝑙/𝑑𝑚3) 𝒅𝒎𝟑 𝟑.𝟐𝟕𝟐𝟕 𝒎𝒐𝒍.𝒉𝒓 V = 605 dm3 Time required for 99.9% conversion of A using a batch reactor: Where: V = 1000 dm3 CA = 0.01 CAO a) –rA = k. K = 0.0545 mol/h.dm3 𝑵𝑨𝑶 𝒅𝑵 t=∫𝑵𝑨 −𝒓𝑨𝑽 Page 8 of 9 Constant Volume V=V0 , CA= NA/V 𝑪𝑨𝑶 𝒅𝑪𝑨 t=∫𝑪𝑨 −𝒓𝑨 𝑪𝑨𝑶 𝒅𝑪𝑨 t=∫𝑪𝑨 𝑲 1 = 𝐾 (𝐶𝐴0 − 𝐶𝐴) Zero order: 1 1 t= 𝐾 (𝐶𝐴0 − 0.01𝐶𝐴𝑂)= 0.545 (𝐶𝐴0 − 0.01𝐶𝐴𝑂) t=9.08hr b) –rA = kCA K = 0.00010909 s-1 First Order: 𝟏 CA0 𝐭 = 𝐤(ln( CA )) 𝟏 CA0 𝐭 = 0.00010909(ln(0.01CAo))=42214.41s t= 11.7hr c) –rA = kCA 2 K = 3.2727 dm3/mol.hr Second order: 𝟏 1 𝒕 = 𝒌( 𝐶𝐴𝟏 1 𝐶𝐴0 1 ) 𝒕 = 𝟑.𝟐𝟕𝟐𝟕( 0.01(0.5)- 1 0.5 ) t= 60.5hr Page 9 of 9