Tracking gas-liquid coexistence in fluids of charged soft dumbbells

Heiko Braun and Reinhard Hentschke
Phys. Rev. E 80, 041501 – Published 2 October 2009

Abstract

The existence of gas-liquid coexistence in dipolar fluids with no other contribution to attractive interaction than dipole-dipole interaction is a basic and open question in the theory of fluids. Recent Monte Carlo work by Camp and co-workers indicates that a fluid of charged hard dumbbells does exhibit gas-liquid (g-l) coexistence. This system has the potential to answer the above fundamental question because the charge-to-charge separation, d, on the dumbbells may be reduced to, at least in principle, yield the dipolar fluid limit. Using the molecular-dynamics technique we present simulation results for the g-l critical point of charged soft dumbbells at fixed dipole moment as function of d. We do find a g-l critical point at finite temperature even at the smallest d value (104). Reversible aggregation appears to play less a role than in related model systems as d becomes small. Consequently attempts to interpret the simulation results using either an extension of Flory’s lattice theory for polymer systems, which includes reversible assembly of monomers into chains, or the defect model for reversible networks proposed by Tlusty and Safran are not successful. The overall best qualitative interpretation of the critical parameters is obtained by considering the dumbbells as dipoles immersed in a continuum dielectric.

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  • Received 22 June 2009

DOI:https://doi.org/10.1103/PhysRevE.80.041501

©2009 American Physical Society

Authors & Affiliations

Heiko Braun and Reinhard Hentschke*

  • Fachbereich Mathematik und Naturwissenschaften, Bergische Universität, D-42097 Wuppertal, Germany

  • *Author to whom correspondence should be addressed; hentschk@uni-wuppertal.de

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Issue

Vol. 80, Iss. 4 — October 2009

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