title: Towards understanding water: simulation of modified water models.
abstract: The unusual properties of liquid water have been attributed to factors including hydrogen bonds, the presence of a local tetrahedral network, or the high number density. Most of the properties of water can be reproduced in simulations using simple potential models with site-site pairwise interactions. Although in real water the factors listed above cannot be separated, one may construct liquids from modified water models ('not-waters') in which these factors are altered independently in a controlled way. With various collaborators we have studied the changes in liquid properties, anomalies and solvation which result from various modifications.
authors.affiliation: Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, UK. rmlb@cam.ac.uk
authors.forename: R M
authors.initials: RM
authors.lastname: Lynden-Bell
mesh_terms: D003198:Computer Simulation; D008956:Models, Chemical; D044367:Phase Transition; D012996:Solutions / Q000737:chemistry*; D013499:Surface Properties; D014867:Water / Q000737:chemistry*
chemical_list: D012996:Solutions; D014867:Water