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Simulation study of the phase behavior of a planar Maier-Saupe nematogenic liquid

By Enrique Lomba, C. Martín, Noé G. Almarza and Fred Lado


Using extensive Monte Carlo simulations and a simple approximation in density functional theory, we study the phase behavior of a fluid of nematogenic molecules with centers of mass constrained to lie in a plane but with axes free to rotate in any direction, both with and without an external disorienting field perpendicular to the plane. We find that simulation predicts the existence of an order-disorder phase transition belonging to the Berezinskii-Kosterlitz-Thouless type, along with a low temperature gas-liquid transition. In contrast to the simulation results, density functional theory predicts a first-order orientational phase transition coupled continuously with a first-order gas-liquid transition. The approximate theoretical approach qualitatively reproduces the field dependence of the order-disorder and gas-liquid transitions but is far from quantitative. © 2005 The American Physical Societythe Dirección General de Investigación Científica is acknowledged by E.L, C.M., and N.G.A. under Grant No. FIS2004-02954-C03-01.Peer reviewe

Topics: Maier-Saupe, liquid crystal, statistical mechanics, computer simulation, phase transitions
Publisher: 'American Physical Society (APS)'
Year: 2005
DOI identifier: 10.1103/PhysRevE.71.046132
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Provided by: Digital.CSIC

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