Literature DB >> 17523784

Vapor-liquid coexistence in fluids of charged hard dumbbells.

Georg Ganzenmüller1, Philip J Camp.   

Abstract

Vapor-liquid coexistence in fluids of charged hard dumbbells, each made up of two oppositely charged hard spheres with diameters sigma and separation d, has been studied using grand-canonical Monte Carlo simulations. In the limit d/sigma-->0, and with the temperature scaled accordingly, the system corresponds to dipolar hard spheres. For separations in the range 0.3<d/sigma<or=1 the coexisting vapor phase contains compact clusters. For separations in the range 0.1<or=d/sigma<0.3 the coexistence is between a chainlike vapor and a networklike liquid. Finite-size effects preclude the simulation of the coexistence in systems with d/sigma<0.1, but extrapolations of the results to d/sigma-->0 yield estimates of the apparent critical parameters for dipolar hard spheres.

Entities:  

Year:  2007        PMID: 17523784     DOI: 10.1063/1.2738059

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  1 in total

1.  Structure of Simple Dipolar Water-Like Fluids: Primitive Model and Hard Tetrahedra.

Authors:  I Nezbeda
Journal:  Front Chem       Date:  2021-12-07       Impact factor: 5.221

  1 in total

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