2 years, 7 months ago
What inputs do we need for a Kinetic Simulation?
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M$1 Answer
- A Thermo File (with data for all the species in the simulation)
- Reaction Mechanism: A list of the reactions and forward rate constants
- Reaction conditions (e.g. initial concentrations, T, P, timescale, adiabatic or isothermal, flow situation, etc.) to fully specify physical situation.
- Simulation details: Specify outputs required, tolerances, numerical methods, initial guesses, etc
- Reaction Mechanism: A list of the reactions and forward rate constants
- Reaction conditions (e.g. initial concentrations, T, P, timescale, adiabatic or isothermal, flow situation, etc.) to fully specify physical situation.
- Simulation details: Specify outputs required, tolerances, numerical methods, initial guesses, etc
You can leave an optional "tip" with Mahalo's virtual currency, Mahalo Dollars. If you are asking a difficult question that might require some research, or if you'd like a wide variety of feedback, a higher tip often leads to more answers to your question.
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