Dear all,
When I compared the Raspa manual for example practice, I attempted to reproduce the adsorption of CO2/CH4 (1:3) mixed gas in IRMOF-1. The manual's output correctly displayed the MolFraction of 0.25 and 0.75 for both, but the output I ran had a MolFraction of 0.5 for both. Although I had correctly set the MolFractrion keyword in the simulation.input file and no matter how I adjusted the value of Molfraction, both components were initialized to a MolFraction of 0.5 for simulation in the run results
I am using conda-forge to install Raspa2. Is there a problem with the software I am installing?
I am attaching my input file and running results below.(For the sake of convenience, I will take screenshots of the questions section to display.)
If anyone can answer my doubts, I would be extremely grateful.
In my case, i am using 0.4:0.4:0.1:0.1 mol fraction for a 4-component system, and it's working fine.