Dear all
Our simulation is a polymer binder explosive system contained 880 TATB molecules (typed 0) and 120 F2311 polymers (typed 1). We want to use the DPD methods to investigate the effect of temperature change after impact. The conservative potential, to depict the interactions between beads 0 and 1 and predict the thermodynamics of system, can be described by lennard-jones that contained 6 parameters (ε, σ, rcut, cshift and roff, as showed in ESPresSo user's guide). Therefore, to construct our simulation model, we have to choose the correct parameters of lennard-jones potential. Our question is that how to determine the 6 parameters and make sure that they are suitable to describe the interactions between beads 0 and 1.
Thanks!
Zhicheng Guo