[gmx-users] interaction parameter, polyolefin solution, ternary system
lecielll at googlemail.com
Tue Apr 20 18:43:43 CEST 2010
My research is concerned with computational thermodynamics of compressible
polyolefin solution (polyethylene in n-Hexane as solvent). I am interested
in calculation of interaction parameter of ternary system of
ethylene. Ethylene is unreacted monomer in the solution. I wanted to know if
GROMACS can be used to build up the ternary system and if the interaction
parameters for this ternary system can be calculated.
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