Liquid-vapor equilibrium and surface properties of short rigid chains with one long range attractive potential

被引:4
作者
Armas-Perez, Julio C. [1 ]
Quintana-H, Jacqueline [1 ]
Chapela, Gustavo A. [2 ]
机构
[1] Univ Nacl Autonoma Mexico, Inst Quim, Mexico City 04510, DF, Mexico
[2] Univ Autonoma Metropolitana Iztapalapa, Dept Fis, Mexico City 09340, DF, Mexico
关键词
MONTE-CARLO-SIMULATION; MOLECULAR-DYNAMICS; PHASE COEXISTENCE; MODEL;
D O I
10.1063/1.4813069
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Liquid-vapor coexistence and interfacial properties of short lineal rigid vibrating chains with three tangent monomers in two and three dimensions are calculated. The effect of the range and position of a long ranged square well attractive potential is studied. Orthobaric densities, vapor pressures, surface tensions, and interfacial widths are reported. Two types of molecules are studied. Chains of three tangent hard sphere monomers and chains of three and five tangent hard sphere monomers interacting with a square well attractive potential with lambda* = lambda/sigma = 1.5 in units of the hard core diameter sigma. The results are reported in two and three dimensions. For both types of chains, a long ranged square well attractive potential is located at various positions in the chain to investigate its effect in the properties of the corresponding systems. Results for hard sphere chains are presented for a series of different sizes of lambda* between 2.5 and 5. For square well chains the position in the chain of the long ranged potential has no influence in the coexistence and interfacial properties. Critical temperatures increase monotonically with respect to lambda* and critical densities decrease systematically for both types of chains. When the long ranged potential is located in the middle monomer of the hard sphere chains no critical point is found for lambda* < 2.4. No critical point is found when the long ranged potential is located in one of the extremes of the hard sphere chains. (C) 2013 AIP Publishing LLC.
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页数:12
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