title: A Kirkwood-Buff derived force field for the simulation of aqueous guanidinium chloride solutions.
abstract: A force field for the simulation of aqueous guanidinium chloride solutions is presented. The force field was parametrized to reproduce the experimental density and Kirkwood-Buff integrals as a function of composition. Consequently, a reasonable description of the salt activity is obtained. The model also performs well for other properties such as the relative permittivity and enthalpy of mixing.
authors.affiliation: Department of Chemistry, University of Ruhuna, Matara, Sri Lanka.
authors.forename: Samantha
authors.initials: S
authors.lastname: Weerasinghe
authors.forename: Paul E
authors.initials: PE
authors.lastname: Smith