CRE-Class-4-Summary
24-July-2025
Temperature Effects
Quick Recap
The meeting focused on discussing reaction engineering concepts including isothermal conditions, temperature variations, and the complexities of energy calculations in chemical reactions. MSubbu covered various aspects of reaction kinetics, including conversion calculations, heat of reaction considerations, and the impact of temperature on reaction rates for both endothermic and exothermic reactions. The discussion concluded with an overview of reactor operations, temperature profiles, and optimization strategies for maximizing conversion while minimizing reactor volume, with plans for upcoming classes covering non-ideal reactors and heterogeneous modeling.
Next Steps
- Students: Review and understand the concepts of irreversible endothermic reactions and reversible exothermic reactions in plug flow reactors.
- Students: Study the optimum temperature progression for reversible exothermic reactions in non-isothermal plug flow reactors.
- Students: Prepare for the upcoming class on non-ideal reactors and heterogeneous reactions, including the Langmuir-Hinshelwood model.
- Students: Be ready for regular tests after August 14th.
- MSubbu: Conduct a discussion class on Saturday.
- MSubbu: Cover non-ideal reactors and Langmuir-Hinshelwood modeling in the next Sunday class.
- MSubbu: Schedule 3 more classes - 2 for remaining topics and 1 for revision.
- MSubbu: Start fast-track classes with 2.5 hours per week after completing the current schedule.
SUMMARY
Challenges in Reaction Kinetics
MSubbu discussed the challenges of maintaining isothermal conditions in reactions and introduced the concept of allowing temperature variation, noting the complexity introduced by the exponential relationship between the rate constant and temperature. He mentioned that solving such problems often requires computerized calculations, and for the GATE examination, they will focus on simpler cases similar to process correlation problems.
Continuous Adiabatic Reactor for Isomer Conversion
MSubbu discussed the conversion of isomer in a continuous adiabatic reactor, focusing on the heat of reaction and temperature considerations. He explained that while the heat of reaction is typically given at a reference temperature, it remains constant if the heat capacity of products and reactants is the same. MSubbu emphasized the importance of choosing a reference temperature based on the provided heat of reaction data and clarified that the calculations would not be affected by the choice of reference temperature as long as it is consistent.
Conversion and Energy in Reactions
MSubbu explained the relationship between conversion and extent in chemical reactions, emphasizing that conversion is defined as the ratio of moles of product to initial moles of reactant. He also discussed how to calculate energy changes in reactions using the heat of reaction and the difference in energy between reactants and products, choosing a reference temperature for consistency. MSubbu highlighted that this approach to energy balance calculations using extent is not commonly found in textbooks but is applicable to process calculations.
Heat of Reaction & Mass Flow Calculations
MSubbu discussed the calculation of mass and molar flows in a chemical reaction, focusing on the heat of reaction. He explained how to determine the mole fraction of component \(A\) in the feed given the reaction temperature, conversion, and heat of reaction. MSubbu also clarified that the heat of reaction should be specified as negative for exothermic reactions and suggested using a reference temperature, such as 25°C, to simplify calculations.
Data Conversion and Reaction Extent
MSubbu explained the conversion of data in terms of moles and extent, and how to solve for mole fractions and conversions. He discussed the relationship between extent and conversion, and how to calculate the heat released from the reaction. MSubbu also covered energy balance equations and how to substitute values for the mole fractions and extent to find the final answer.
Energy Calculations in Chemical Reactions
MSubbu discussed the complexities of energy calculations in reactions, emphasizing the importance of choosing a suitable reference temperature to simplify calculations. He explained that using the product temperature as a reference makes calculations more straightforward compared to using other temperatures like 298 K. MSubbu also covered the concept of endothermic reactions, heat consumption, and how the heat of reaction changes with temperature. He concluded by explaining how to calculate the moles of reactants and products, and how to determine the energy of the feed and the heat added by the reaction using the chosen reference temperature.
Adiabatic Reaction Temperature Concepts
MSubbu discussed the concepts of heat consumption and addition in exothermic and endothermic reactions, emphasizing the importance of maintaining high temperatures to ensure appreciable reaction rates. He explained the principles of temperature rise in adiabatic reactors, where heat is neither supplied nor removed, and solved for the extent of reaction and temperature rise in a given problem. MSubbu also highlighted the relationship between heat of reaction, temperature, and conversion, concluding with a method to find the product temperature rise from the initial feed temperature.
Adiabatic CSTR Reaction Analysis
MSubbu discussed a complex problem involving an exothermic gas-phase reaction in an adiabatic CSTR. He explained the need to calculate the rate constant and temperature using energy balance, and mentioned that the heat of reaction at any temperature is equal to the heat of reaction at the reference temperature. MSubbu also covered the stoichiometry of the reaction, conversion data, and how to calculate the moles of each component leaving the reactor.
Product Temperature Calculation Methodology
MSubbu explained the calculation of product temperature in a reaction system by making an energy balance, using the feed temperature as a reference. He described how to solve for the rate constant using temperature data and the initial concentration, which was determined from pressure and temperature values. MSubbu also outlined the design expression for volume, accounting for volume expansion due to temperature changes and constant pressure, and emphasized the importance of considering both volume expansivity and temperature corrections in the concentration calculations.
Reaction Engineering and Temperature Dynamics
MSubbu discussed the complexities of reaction engineering, focusing on the verification of the rate constant and the impact of temperature changes in adiabatic reactors. He explained that in endothermic reactions, the rate is maximum at the reactor inlet due to higher temperature and concentration, which then decrease along the length. MSubbu also contrasted this behavior with exothermic reactions, where temperature increases along the reactor length.
Temperature Effects on Reaction Rates
MSubbu discussed the behavior of reaction rates and conversions in both endothermic and exothermic reactions, explaining how temperature affects these processes. For irreversible endothermic reactions, conversion increases with temperature, while for reversible reactions, a maximum conversion occurs at a specific temperature. In the case of exothermic reactions, equilibrium conversion decreases with increasing temperature, resulting in a maximum rate at the reactor's exit. MSubbu also explained how adiabatic operation affects reaction rates in exothermic reactions, noting that the rate increases as temperature rises.
Plug Flow Reactor Rate Optimization
MSubbu discussed the temperature profiles and rate behavior in plug flow reactors for reversible exothermic reactions. He explained that the rate reaches a maximum at the reactor inlet for irreversible exothermic reactions and at the exit for reversible exothermic reactions. For reversible exothermic reactions, the rate decreases with increasing conversion due to the exponential relationship between temperature and rate. MSubbu also described an optimization problem to minimize reactor volume by determining the optimal temperature profile along the reactor length, considering the maximum allowable temperature based on material constraints.
Optimal Temperature Progression in Flow Reactors
MSubbu explained the concept of optimum temperature progression for exothermic reversible reactions in flow reactors. He emphasized that for such reactions, operating at the highest possible temperature initially and then progressively reducing it can maximize conversion while maintaining a high reaction rate. This approach is necessary because equilibrium conversion is limited, and operating at high temperatures without reducing them would result in no further product formation. MSubbu also discussed the use of rate versus temperature plots with conversion as a parameter to determine the optimum temperature profile, which is the locus of maximum rates at given conversions.
Reactor Operations and Conversion Optimization
MSubbu discussed reactor operations and conversion optimization, emphasizing the importance of reducing temperature along the length of the reactor to maximize conversion while minimizing volume. He mentioned that PFR is preferred for reactions with \(n \ge 1\) due to operational challenges, and two conceptual questions about irreversible endothermic and reversible exothermic cases would be covered in the next class. MSubbu outlined the schedule for the upcoming classes, including non-ideal reactors and heterogeneous modeling, with a target completion date of August 14th.