[gmx-users] interaction parameter, polyolefin solution, ternary system

Moeed 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.

Many thanks,
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20100420/b767108c/attachment.html>

More information about the gromacs.org_gmx-users mailing list