Liquid-vapor equilibrium and interfacial properties of square wells in two dimensions

被引:21
作者
Armas-Perez, Julio C. [1 ]
Quintana-H, Jacqueline [2 ]
Chapela, Gustavo A. [3 ]
机构
[1] Univ Chicago, Inst Mol Engn, Chicago, IL 60637 USA
[2] Univ Nacl Autonoma Mexico, Inst Quim, Mexico City 04510, DF, Mexico
[3] Univ Autonoma Metropolitana Iztapalapa, Dept Fis, Mexico City 09340, DF, Mexico
关键词
BENT HARD NEEDLES; EQUATION-OF-STATE; MOLECULAR-DYNAMICS; DISCONTINUOUS POTENTIALS; VARIABLE RANGE; SIMULATION; FLUIDS; MODEL; VELOCITY; COEXISTENCE;
D O I
10.1063/1.4775342
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 square wells in two dimensions are calculated. Orthobaric densities, vapor pressures, surface tensions, and interfacial thicknesses are reported. Results are presented for a series of potential widths lambda* = 1.4, 1.5, 2, 2.5, 3, 3.5, 4, 4.5, and 5, where lambda* is given in units of the hard core diameter sigma. Critical and triple points are explored. No critical point was found for lambda* < 1.4. Corresponding states principle analysis is performed for the whole series. For lambda* = 1.4 and 1.5 evidence is presented that at an intermediate temperature between the critical and the triple point temperatures the liquid branch becomes an amorphous solid. This point is recognized in Armas-Perez et al. [unpublished] as a hexatic phase transition. It is located at reduced temperatures T* = 0.47 and 0.35 for lambda* = 1.4 and 1.5, respectively. Properties such as the surface tension, vapor pressure, and interfacial thickness do not present any discontinuity at these points. This amorphous solid branch does not follow the corresponding state principle, which is only applied to liquids and gases. (C) 2013 American Institute of Physics. [http://dx.doi.org/10.1063/1.4775342]
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页数:9
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