Would Like to set up RXN Model for Reforming

[feeburn]

Dear RMSers,
I have a list of ~200 feed species and their mol/s rate. Could I use RMG/RMS to create the rxn net work and then solve the LFER parameters based on species in the reactor effluent (mol/s)? Also is there an energy balance option so that I can match the temperature of the effluent leaving reactor?

[mjohnson541]

Sorry this is very late, I wasn't even aware this discussion section existed before now.

I'm not familiar with LFER parameters, but I believe this is sensible. The "energy balance" option in Chemkin for a batch or PFR reactor is analogous in RMS gas phase to choosing a constant volume domain (which will fix volume and solve the energy equation to determine pressure and temperature as a function of time). You can also use a ParameterizedTPReactor to set the pressure and temperature to specific profiles during the reaction.