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Symmetry-preserving Mean Field Theory For One Dimension Simple Liquids And Solvation

Posted on:2018-08-22Degree:MasterType:Thesis
Country:ChinaCandidate:L M HuFull Text:PDF
GTID:2311330515974106Subject:Physical chemistry
Abstract/Summary:PDF Full Text Request
The symmetry-preserving mean field theory suggests that small-scale fluctuations of a slowly-varying dynamical variable in directions with preserved symmetries can often be integrated out to yield an instantaneous effective single particle potential that accounts for the effect of the long-ranged component of the intermolecular interaction.SPMF theory originally developed for an efficient treatment of long-ranged electrostatic of complex fluids at planar interface is now extended to study simply liquids in the presence of external fields with either planar or spherical symmetry.The formulations of SPMF theory for nonuniform Lennard-Jones with two symmetries are presented and the versatility and accuracy of the method is illustrated by applications to simple liquids confined between planar walls and dewetting of a hard sphere solute in a Lennard-Jones fluid.
Keywords/Search Tags:mean field, long-ranged, symmetry, molecular simulation
PDF Full Text Request
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