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[lammps-users] Reg:LJ potential parameters at high temperature and pressure (phase change)
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[lammps-users] Reg:LJ potential parameters at high temperature and pressure (phase change)


From: Zeeshan Ahmed <zeeshan.ahmed@...5589...>
Date: Mon, 3 Jul 2017 17:44:24 +0530

Dear All,

I am using LJ interaction potential parameters to determine the transport properties of CO2 at room temperature and pressure. Can I use the same potential parameters at high temperatures and pressures (Phase change of CO2)? Also, in some application there is a phase change during the process, so at that time will the same potential parameters validates the actual transport properties?

Please help! Thanks.

 
Best,
Zeeshan
PhD Student (Mechanical Engineering)