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physics.chem-ph2018
Tuning the collapse transition of weakly charged polymers by ion-specific screening and adsorption
Richard Chudoba, Jan Heyda, Joachim Dzubiella
The experimentally observed swelling and collapse response of weakly charged polymers to the addition of specific salts displays quite convoluted behavior that is not easy to categ…
physics.chem-ph2018
All-atom REMD simulation of poly-N-isopropylacrylamide thermodynamics in water: a model with a distinct 2-state behavior
Vladimir Palivec, Denis Zadrazil, Jan Heyda
Poly-N-isopropylacrylamide (PNIPAM) is a thermoresponsive polymer, an essential building block of a large family of soft smart materials. In neat water it undergoes upon heating at…
physics.chem-ph2017
A temperature-dependent implicit-solvent model of polyethylene glycol in aqueous solution
Richard Chudoba, Jan Heyda, Joachim Dzubiella
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…