A temperature-dependent implicit-solvent model of polyethylene glycol in aqueous solution

25 Oct 2017 Chudoba Richard Heyda Jan Dzubiella Joachim

A temperature (T)-dependent coarse-grained (CG) Hamiltonian of polyethylene glycol/oxide (PEG/PEO) in aqueous solution is reported to be used in implicit-solvent material models in a wide temperature (i.e., solvent quality) range. The T-dependent nonbonded CG interactions are derived from a combined "bottom-up" and "top-down" approach... (read more)

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  • CHEMICAL PHYSICS
  • SOFT CONDENSED MATTER