Aspen for calculating methane cracking temperature
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I want to know the cracking temperature of methane. When doing the calculations manually, I overlooked some factors, so I would like to use Aspen to carry out these calculations. However, my knowledge of Aspen is still at a basic level – I’m not very familiar with it – so I would appreciate some guidance from everyone. I chose the Gibbs reactor; when setting it up, I wasn’t sure how to handle certain things, such as the property methods.
I believe it is inappropriate to use Aspen Plus specifically for simulating chemical reactions, as this software is mainly designed for overall process simulation and is suitable for modeling processes such as separation. If simulating a reactor, it is better to obtain some kinetic data through experiments, even if it is not entirely accurate; otherwise, only thermodynamic simulations can be carried out. Choosing Gibbis is a wise decision, as it is the only tool capable of modeling gas-liquid-solid three-phase reactors. It should be noted, however, that the existing mathematical models often have significant discrepancies for solids, making it difficult to ensure the accuracy of the simulation results. As I understand it, a balanced reactor assumes that the residence time is very long, allowing the reaction to reach equilibrium, which is an ideal state. If I have to use Aspen Plus for this simulation, I set the carbon produced by pyrolysis as graphite and increased the temperature gradually; it was found that decomposition begins around 800–900 degrees Celsius, and at 2000 degrees Celsius the decomposition rate is only 2%, which seems to not correspond to reality. Desiring to get extra points, I accidentally used Thunder, and my wealth plummeted! Give me extra points! !
Thank you so much for the detailed explanation from above! I don’t know what physical property method you’re using; are you using PR-BM?
Some people say that sensitivity analysis should be used to examine the equilibrium constant k, but I don’t know which English term should be used to represent the equilibrium constant k in sensitivity analysis: L