Calculation of the equilibrium composition in “Daily Discussion” – [1. Reaction Engineering and Reactors] (2017.08.05)

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This post was last edited by *amingteda on 2017-8-14 at 22:15. To improve everyone’s ability to use AspenOne for analyzing and solving problems in chemical processes, the “One Discussion per Day” series has been introduced for learning and discussion. Later, questions will be raised centered around various themes for academic discussion. I hope everyone will engage in active discussions to improve together! The initial topics are set as: 1. Reaction engineering and reactors ； 2. Distillation, extraction, absorption processes and columns ； 3. Heat transfer process and heat exchanger ； 4. Process optimization, design, and control ； 5. Heat exchange network integration and optimization ； 6. Economic evaluation of engineering technology. As is well known, chemical reaction processes are at the core of the chemical industry, and the calculation of the equilibrium composition of reactions is key to determining the potential for catalysts to increase reaction rates. So, which reactor module in Aspen Plus should be used to calculate the equilibrium composition of the reaction, and how should it be configured to achieve this? Dear sea friends, please actively participate in the discussions – there will be financial rewards for that. The reference discussion will be released in about a week; the answers are for reference only. ——Jack Xia －－－－－－－－－－－－－－－－－－－－－－－－－－－－－－－－－－－－－－－－－－－－－－－－－－－－－－－－ Answer key: 1. The REquil reactor module is usually chosen ； 2. Enter temperature, pressure, and phase state in Blocks/Spec ； 3. Blocks/Reactions: Enter the reaction equation and approximate temperature (endothermic: T – T_reaction = input value) ； Heat release, T reaction – T = input value) 4. Run the calculation. Example: 1. 2CO = CO2 + C(s). In the field of coal chemical engineering, by determining the conditions under which carbon deposition occurs, it is possible to identify reaction conditions for which thermodynamics is unfavorable to carbon deposition ； 2. In terms of CO2 utilization, to develop catalysts for the reaction of CO2 with alcohols and polyols to produce esters, it is necessary to first examine the equilibrium composition and equilibrium conversion rate of the reaction, in order to determine whether thermodynamically favorable conditions exist, thereby identifying the maximum extent of reaction that can be achieved with such catalysts. For example: CO2+2MeOH=DMC+H2O......