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Q1: Given the discussion on the different reactor types and the assumptions that are used in developing mole balances for each reactor type, answer the following: 1) (5 points) State an assumption that is the same between a batch reactor and a CSTR. 2) (5 points) State an assumption that is different between a batch reactor and a CSTR. 3) (5 points) State an assumption that is the same between a CSTR and a PFR. 4) (5 points) State an assumption that is different between a CSTR and a PFR.See Answer
Q2: Find the conversion after one-hour in a batch reactor for (15 points) A R -r_{A}=3 C_{A}^{0.5} \quad \text { aqol/lit/hr } \quad \text { CAQ=1.5 mol/lit }See Answer
Q3: The process shown in Figure P3.91 is the dehydrogenation of propane (C,Hg) topropylene (C,H) according to the reaction \mathrm{C}_{3} \mathrm{H}_{8} \rightarrow \mathrm{C}_{3} \mathrm{H}_{6}+\mathrm{H}_{2} The conversion of reactor at F, is 40%. The product flow rate F, is 50 kg, mol/hr.propane to propylene based on the total propane feed into the (a) Calculate all the six flow rates F, to F, in kg mol/hr. (b) Whal 18of propane in the reactor based on the freshpropane fed to the process (F,). See Answer
Q4: A reaction of great social significance is the fermentation of sugar with yeast. Thisis a zero-order (in sugar) reaction, where the yeast is a catalyst (it does not enterthe reaction itself). If a 0.5-L bottle contains 4 g of sugar, and it takes 30 min toconvert 50% of the sugar, what is the rate constant?See Answer
Q5: A batch reactor is designed to remove gobbledygook by adsorption. The data are asfollows: What order of reaction does this appear to be? Graphically estimate the rateconstant.See Answer
Q6: ammonia is synthesized from dinitrogen and dihydrogen in the presenceof a metal catalyst. Fishel et al. used a constant volume reactor systemthat circulated the reactants over a heated ruthenium metal catalyst andthen immediately condensed the product ammonia in a cryogenic trap [c.T. Fishel, R. J. Davis, and J. M. Garces, J. Catal. 163(1996) 148]. A schematic diagram of the system is: From the data presented in the following tables, determine the rates ofammonia synthesis (moles NH3 produced per min per gcat) at 350°Cover a supported ruthenium catalyst (0.20 g) and the orders of reactionwith respect to dinitrogen and dihydrogen. Pressures are referenced to298 K and the total volume of the system is 0.315 L. Assume that noammonia is present in the gas phase. See Answer
Q7:The gas phase reaction A + B → C occurs in a flow reactor. The rate law is given below. KCACB -TA 1 + KCA The initial concentration of A is 1 M and the initial concentration of B is 1.5 M in the feed. k = 0.1 min¹ M-¹ and K = 2.5 M¹¹. The inlet volumetric flow rate is 2 L/min. Assume that the reactors are isothermal and isobaric./na. If the reaction takes place in a CSTR, what is the volume of the CSTR that is needed to achieve 70% conversion? b. If the reaction takes place in a PFR, what is the volume of the PFR that is needed to achieve 70% conversion? For the remainder of this problem assume that there is an inert gas in the feed with concentration c₁ = 4 M. c. If the reaction takes place in a CSTR, what is the volume of the CSTR that is needed to achieve 70% conversion? d. If the reaction takes place in a PFR, what is the volume of the PFR that is needed to achieve 70% conversion? e. If the reaction takes place in a PFR, what is the volume of the PFR that is needed to achieve 70% conversion if K = 0.25 M¹¹?See Answer
Q8:The gas phase reaction A + B → C follows an elementary rate law and occurs in a 1 m³ CSTR. The inlet volumetric flow rate is 0.5 m³ min¹¹ and the entering concentration of A is 1 M. The reaction occurs isothermally at 300K. For an equimolar feed of A and B, a 20% conversion is achieved. When the reaction is carried out adiabatically, the exit temperature is 350K and the conversion is 40%. The heat capacities of A, B, and C are 25, 35, and 60 kJ/(mol*K), respectively and are independent of temperature. It is proposed to add a 2nd CSTR of the same size in series with the first CSTR. There is a heat exchanger attached to the 2nd CSTR with UA = 4.0 kJ/(min*K), and the coolant fluid enters and exits the heat exchanger at the same temperature of 350K. Assume all reactors operate isobarically. A. What is the rate of heat removal needed for isothermal operation in the first CSTR? B. What is the final conversion at the exit of the second reactor if the first reactor is operated isothermally? C. What would the final conversion be if the second CSTR were replaced with a 1 m³ PFT with Ua = 10(kJ/(m³*min*K)) and T₁ = 300K. D. A chemist suggests that the reverse reaction cannot be neglected. From thermodynamics, we know that Kc = 2 L/mol at 310K. What conversion can be achieved if the entering temperature to the PFR in part C is 300K and Ta = 300K? You may assume that the first CSTR achieves a conversion of 0.2 for the problem.See Answer
Q9:1. A mixture of benzene (A), toluene (B) and xylene (C) is separated by a set-up of 3 distillation columns and a mixer as shown in Figure 1 below. At steady state, the data in Table 1 are taken. Calculate the values for all the unknowns Table 1 and fill in the values in the table. Give all your answers to an accuracy of 2 decimal places. Show your working clearly in your answer sheet. Material Streams kg/h M1 (Feed) Components A B C M1 100.0 45.0 30.0 25.0 Column 1 M2 11.83 M2 M3 M3 Figure 1 Column 2 Table 1 M4 M5 2.73 0 M4 M6 Composition in wt% 2.5 M5 25.0 Column 3 M6 10.15 M7 M8 M7 32.0 6.25 M8 4.17 (50 marks) 192 ZSee Answer
Q10:2. Methanol is produced by reacting a mixture of carbon dioxide and carbon monoxide with hydrogen over a catalyst. The reactions are: CO(g) + 2H₂(g) → CH₂OH(g) CO₂(g) + 3H₂(g) → CH3OH(g) + H₂O(g) The composition of the fresh feed is 14 mol % CO2, 14 mol % CO, 70 mol % H2 and 2 mol % CH4. The fresh feed is mixed with a recycle stream before entering the reactor. The single pass conversion of CO and CO2 are 20% each. The product gases are cooled to condense out all the water and methanol. All the unreacted gases are then recycled. Part of the recycle stream is purged to keep the content of the inert CH4 in the reactor feed to 5 mol %. It is desired to produce 100 mol/s of methanol. a) Sketch the Process Flow Diagram (PFD and indicate all the components of each stream. (18 marks) b) Determine the following: i) molar flow rate of fresh feed, ii) molar flow rate of the stream at the reactor inlet, iii) molar flow rate and composition of the purge stream. End of paper (32 marks)See Answer
Q11:3.3 Calculate the size of a PFR and MFR for the following reaction: a) A R We assume that the reaction is elementary and takes place in the liquid phase, XA=0.98 and, (30) b) A 2R We assume that the reaction is elementary and takes place in the gas phase, XA=0.90 (30) For a) and b) we assume that: AG298-20000 J mol-¹ AH298 -90000 J mol-¹ T = 335K Cp are considered constant over the temperature range 298-335 K Cao = 1 mol m 3 FAO = 50 mol s¹ For the forward reaction: E₁ = 60000 J mol-¹ ko = 10¹⁰ S-1See Answer
Q12:Problem 4. Lab experiment - Adiabatic Batch Reactor (Total: 30 Marks) In the lab experiment, you performed the reaction of sodium thiosulphate with hydrogen peroxide in a batch reactor. 2 Na2S2O3 + 4H2O2 → Na2S306+ Na2SO4 + 4H₂O You mixed different volumes of solutions of 1 M Na2S2O3 and 1 M H2O2 keeping the total volme of reaction mixture at 120 ml, and you obtained the temperature profile of the reaction mixture with time as the reaction progressed. Using values of heat of reaction, preexponential factor and activation energy from [1], assuming the reaction rate law is first order with respect to sodium thiosulphate and first order with hydrogen peroxide and making any other suitable assumptions simulate the temperature profiles that you obtained in 3 different experiments (mixing ratio 1, 2 and 3). More specifically: a) Show the relevant mass and energy balances that describe this system. [9] b) Plot the simulated and the experimental profiles of temperature vs time (for mixing ratio 1, 2 and 3). [9] c) Perform a sensitivity analysis, i.e., (manually) adjust the values of heat or reaction, preexponential factor and activation energy. Your goal here is to maximise the agreement between the simulations and one of experiments above (i.e., mixing ratio 1, or 2 or 3). Show the plot of the simulated and the experimental profiles of temperature vs time with the best agreement (i.e., for the optimised values of the above parameters) for your chosen experiment. Discuss your results. d) State clearly and justify the main assumptions you have made. [9] [3]See Answer
Q13:1. The reaction B → C is carried out in a flow reactor under isothermal conditions. The inlet volumetric flow rate is 10 L/h and the inlet molar flow rate of B is 4 mol/h. The volumetric flow rate changes little (~o). Calculate the CSTR and PER reactor volumes needed to consume 90% of B, assuming the reaction rate, r is: (a) r=k, with k= 0.05 mol/h-L (b) r=kCB, with k = 1x104 /s (c) r= KCB², with k = 3 L/mol-h What if you instead used a 2000 L batch reactor loaded with the same feed material? How long would it take to consume 90% of B, assuming (d) r = k, with k= 0.05 mol/h-L (e) r=kCB², with k = 3 L/mol-hSee Answer
Q14: Assignment Instructions: 1. You Must type your solution by either Microsoft word, LaTeX or any other tool. 2. You are free to sketch by hand if the question permits that, but you MUST always support your sketch by a statement. 3. References must be well cited. Assignment requirements: 1. Introduction: Write an introduction discussing how important Process Modeling and Simulation are to enhance the performance of a reactor in a chemical plant. 2. Literature Review: Search for 2 relevant projects where Process Modeling and Simulation were used to study the performance of a chemical reactor. Specify the simulation tool the people used, the problem they invaginated and their findings, any challenges. 3. Conclusion: Provide your thoughts and recommendations. Assignment title : Modeling and Simulation of Fixed Bed Reactor for Methanol Synthesis/n The modelling and simulation of fixed-bed reactors used in the production of methanol is an essential component of process optimisation and chemical engineering research. Understanding the complex interactions between mass and heat transmission, fluid dynamics, and chemical reactions inside a densely packed bed of catalyst particles is necessary for studying such reactors. This area of research contributes substantially to the development of efficient and sustainable methanol production processes, which is in line with the larger objectives of improving chemical process engineering techniques. The amalgamation of theoretical models and simulation tools yields significant insights that facilitate the design, scaling up, and operational control of fixed-bed reactors utilised in methanol synthesis. This, in turn, aids in the development of manufacturing processes that are both environmentally and economically sustainable. The research addresses the dynamic behavior and control strategies of a fixed-bed reactor used for low-pressure methanol synthesis. The reaction of hydrogen and carbon monoxide in a tubular fixed bed reactor is the basis of the commercial methanol production process. The catalyst pellets are put into the tubes of this shell and tube reactor. To remove the reaction's generated heat from the reaction zone, boiling water is circulated through the reactor's shell. Methanol synthesis in traditional fixed-bed methanol reactors is low because of constraints imposed by thermodynamic equilibrium. Thus, during the process, the majority of the unreacted syngas must be circulated. A heterogeneous one-dimensional model is created for simulation purposes. In the beginning, the reactor simulates under steady-state circumstances, and the effect of various parameters involving shell temperature, ingredient composition (especially CO2 content), and recycling rate on methanol efficiency and reactor temperature profile is investigated. A feedforward neural network trained to determine the effectiveness factor is combined with the steady-state model to form an optimizer that maximizes reactor yield. The dynamic simulation offers the system's open-loop response, and a simplified framework is used to simulate the process dynamics. This model is used to tune a PID controller, and the outcome of fixed and adaptive PID controllers is compared in terms of load rejection and set-point tracing. Finally, the proposed optimizer is paired with a controller to provide live optimization and protect against elevated temperatures. Controlling chemical reactors, particularly fixed-bed catalytic reactors that operate in highly exothermic processes, presents difficulties, particularly in forecasting and eliminating areas of heat and thermal runaway events. This is crucial when modest changes in any of the operating factors cause considerable temperature variances. Operating in unstable environments might lead to poor product quality and temperature increases. The need of ideal control in chemical reactors has been recognized since the early 1980s, as raw material and energy costs have risen. Multitube fixed-bed reactors are used in low-pressure methanol synthesis from syngas, a highly exothermic catalytic reaction in which temperature has a considerable influence on reactor yield. This research focuses on the dynamic behaviour and control elements of a fixed-bed reactor for methanol synthesis at low pressure. Despite their simple construction and widespread use, the boundaries and interactions within nuclear reactors are complex, posing difficult difficulties in terms of design, safe operation, optimization, and control. Modelling these reactors is a difficult endeavour that necessitates solving a system of nonlinear differential equations and evaluating several transport and chemical factors. Additionally, precisely modelling gas diffusion into the solid matrix is a significant challenge. While academics have extensively investigated steady-state modelling of catalytic methanol synthesis reactors of varied complexity, there is a little body of study on dynamic simulations and methanol reactor control. A specific study dug into the modelling of low-pressure methanol synthesis utilizing a commercial Cu-Zn-Al catalyst, exposing the limits of the catalyst particles at commercial sizes. Researchers used a heterogeneous model to perform dynamic simulations of a fixed-bed methanol reactor. Their research included evaluating various levels of transient modelling and mathematically modelling internal mass transport restrictions in methanol production. They demonstrated that the Thiele modulus notion, along with pseudo-first-order kinetics, may accurately predict intra-particle diffusion. The simulation also included a comprehensive pseudo-steady-state model of the methanol synthesis loop. Another study investigated the feasibility of doing low-pressure methanol synthesis under forced unsteady state conditions utilizing a network of three catalytic fixed-bed reactors with periodic changes in intake location. This research focuses on the dynamic simulation and control of a methanol reactor. The information is arranged into three sections: an overview of the process and related control loops, followed by a discussion of reactor and steam drum modelling. Numerical approaches for addressing nonlinear differential and algebraic equations that describe system behaviour are addressed. The research presents steady-state and dynamic data, and it concludes with recommendations for reactor control and improvement. It is impossible to overestimate the importance of modeling and simulation in improving reactor performance in the field of chemical engineering. These resources are crucial, providing engineers with a virtual laboratory to dissect, analyze, and optimize the complexities of reactor systems. Researchers can depict the intricate interactions between mass transfer, heat exchange, and chemical reactions that take place inside a reactor by creating intricate mathematical models. Engineers can then explore a wide range of operating circumstances using simulation platforms, which eliminates the need for expensive and time- consuming experimental experiments to determine the most effective and efficient parameters. One of the main benefits of using modeling and simulation is that it can be used to predict reactor behavior in a variety of scenarios, which helps to gain a deeper understanding of how different factors affect performance. This predictive capability also speeds up research and development by allowing engineers to make necessary adjustments to designs and operational parameters before physical prototypes are built. This helps to establish a more sustainable approach to reactor development by reducing the environmental impact that comes with conducting extensive trial-and-error experimentation. In conclusion, the modeling and simulation of fixed-bed reactors for methanol synthesis constitute an important area of research in chemical engineering and are essential to improving the sustainability and efficiency of methanol production methods. By delving into the intricacies of catalyst behaviors, reactor dynamics, and reaction kinetics, researchers can maximize yields, minimize environmental effects, optimize operating conditions, and economically viable reactor systems in the ever-evolving landscape of chemical engineering. The combination of theory and computational modeling heralds a future where reactor design and operation are precision-engineered for maximum efficiency and minimal environmental impact, marking a paradigm shift in the way we approach and advance industrial processes. The reactor's response under various conditions can be understood by utilizing dynamic models that provide a thorough investigation of transient behaviors. Moreover, engineers can obtain a more sophisticated knowledge of the interplay between mass transport, fluid dynamics, and chemical processes in a packed bed by combining theoretical models and simulation techniques. This all-encompassing method holds the secret to creating reliable, scalable, and commercially feasible procedures in addition to adding to our basic understanding of methanol synthesis. References: 1- https://www.researchgate.net/publication/329736301_Modeling_simulation_and_cont rol_of_a_methanol synthesis_fixed-bed_reactor Shahrokhi, M., & Baghmisheh, G. R. (2005, April 18). Modeling, simulation and control of a methanol synthesis fixed- bed reactor. Science Direct Elsevier. 2- Adam, R., Mohmmed, R., & Wagialla, K. M. (2018). Modeling and Simulation of Methanol Synthesis in Fluidized Bed Reactor. International Journal of Scientific Engineering and Science, 2(3), 39–42. https://ijses.com/wp- content/uploads/2018/03/579-IJSES-V2N3.pdf 3- https://utilitiesone.com/the-role-of-simulation-in-chemical-process-engineering Energy, E. C. (2023, December 1). The role of simulation process engineering. Utilities One. https://utilitiesone.com/the-role-of- simulation-in-chemical-process-engineering 4- https://www.proquest.com/docview/1446485925?pq- chemical origsite=gscholar&fromopenview=true&sourcetype=Scholarly%20Journals MODELING AND SIMULATION OF NON LINEAR PROCESS - ProQuest. (n.d.). https://www.proquest.com/docview/1446485925?pq- origsite=gscholar&fromopenview=true&sourcetype=Scholarly%20JournalsSee Answer
Q15:178 The Material Balance for Chemical Reactors Exercise 4.5: Dynamic CSTR ACSTR is used to convert A to products B and C via the following liquid-phase reaction AB+C The reaction is first order in A and irreversihle. The tank initially is charged with species A at concentration CA. At time zero, the feed pump is turned on and delivers constant flowrate, Q. The feed concentration of A is Caf, which is also constant. The tank volume is VR. Liquid density change due to reaction may be neglected. (a) Write down and solve the dynamic material balance for component A. (b) Sketch the solution, CA(t) versus t, for the tank initially filled with sol- vent, CA = 0. On the same plot, sketch the solution for the tank initially filled with feed, CA = CAS. Clearly label on your plot the initial and steady-state concentrations for both curves. (c) For a 50 m³ tank with flowrate of 7 1./s and rate constant k = 0.02 min-¹, what is the steady-state conversion of A?See Answer
Q16:Exercise 4.8: Nonconstant density with a liquid-phase reaction Propylene glycol is produced by the hydrolysis of propylene oxide according to the following reaction H₂ C- CH–CH, + H2O - CHE T OH OH propylene oxide propylene glycol In the presence of excess water, the reaction has been found to be first-order in propylene oxide and the rate constant is [6] 180 r = kcpo k= koe-Ea/RT ko 4.71 x 109 s-1 E = 18.0 kcal/mol K Methanol is added as a solvent, and the reaction is performed in a 1000 L CSTR operating at 60°C. The feed conditions and physical properties are as follows [15]: Component -CH-CH3 T propylene oxide water The Material Balance for Chemical Reactors Density Mol. wt. Inlet feedrate (g/cm³) (g/mol) 0.859 58.08 1.000 18.02 76.11 32.04 propylene glycol 1.0361 methanol 0.7914 Assume the mixture is ideal so that (L/hr) 1300 6600 0 1300 1-Σαν; in which V; = M;lp; are the pure component specific molar volumes. Neglect any change in the pure component densities with temperature in the temper- ature range 25-60°C. (a) Compute the steady-state concentrations of all components, Q, and VR for the following two situations. 1. A float in the top of the tank is used to adjust Q to maintain reactor volume constant at 1000 L. 2. The reactor is initially charged with pure solvent, and a differential pressure measurement is used to adjust Q to maintain constant reactor mass. Which operation do you recommend, constant volume or constantmass? Look at the conversion of propylene oxide and production rate of propy. lene glycol for the two cases. What are you wasting in constant mass operation? (b) Resolve the constant reactor volume operation under the assumption that all densities are equal to water. How much error in the conversion and production rate do you commit under this assumption?See Answer
Q17:1. The elementary gas-phase reaction (CH3)3COOC(CH3)3 →C2H6+2CH3COCH3 Is carried isothermally in a flow reactor. The specific reaction rate at 50 °C is 10-4 min-¹ and the activation energy is 85 kJ/mol. Pure di-tert-butyl peroxide enters the reactor at 10 atm and 127 °C and a molar flow rate of 2.5 mol/min. Calculate the reactor volume and space time to achieve 90% conversion in: a) a PFR with no pressure drop. (970 dm³) b) a CSTR with no pressure drop. (4700 dm³) c) A PFR with pressure drop with a = 0.001 dm³. Plot conversion and P/Po (y) versus PFR volume. What are conversion and y when the PFR volume is 500 dm³? Note: part c) is a PFR with a pressure drop. Assume that the Ergun equation is valid for this system (but substitute dV for dW).See Answer
Q18:2. Compound A undergoes a reversible isomerization reaction, A→B, over a supported metal catalyst. Under pertinent conditions, A and B are liquid, miscible, and of nearly identical density; the equilibrium constant for the reaction (in concentration units) is 5.8. In a fixed- bed isothermal flow reactor in which backmixing is negligible (i.e. plug flow), a feed of pure A undergoes a net conversion to B of 55%. The reaction is elementary. If a second, identical flow reactor at the same temperature is placed downstream from the first, what overall conversion of A would you expect if: a) The reactors are directly connected in series? b) The products from the first reactor are separated by appropriate processing and only the unconverted A is fed to the second reactor? Hint: You don't have values for several constants such as k and the flowrates. But you can group these unknowns together and solve for that term in the first reactor and then use it to find conversion in the second reactor.See Answer
Q19:3. The following reaction is to be carried out in the liquid phase in semi-batch mode: NaOH + CH3COOC₂H5-CH3COONa+ + C₂H5OH There is a feed rate of 0.2 L/s of NaOH solution (0.2 M) added to 1200 L of ethyl acetate solution (0.25 M) at a temperature of 35 °C. The rate constant k = 5.2 ×10-5 m³/mol/sec at 20 °C with E = 42,810 J/mol. Plot reaction rate, concentration of reactants and products, and number of moles of sodium acetate as a function of time. Another problem you'll want to set up in a numerical solver. You'll also need to define your equations in terms of molar flow rates instead of conversion (which won't work for a semibatch reactor)See Answer
Q20:4. The elementary liquid-phase reaction A + B → C, with k-0.025 L/mol-min, is to be carried out in a CSTR with two impellers. The mixing patterns in the CSTR are such that it is modeled as two equal-sized CSTRs in series. A B A B Species A and B are fed in separate lines to the CSTR. Each CSTR is 200 L and the volumetric flow to the first reactor is 10 L/min of A (2.0molA/L) and 10 L/min of B (2.0 molB/L). a) What is the conversion of A exiting the first reactor? b) What is the conversion of A exiting the second reactor? c) What conversion would you expect if the reactor was well-mixed and could be modeled as a single 400 L CSTR?See Answer

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