Fluid solid equilibrium for two dimensional tangent hard disk chains from Wertheim's perturbation theory

被引:25
作者
McBride, C [1 ]
Vega, C [1 ]
机构
[1] Univ Complutense Madrid, Fac Ciencias Quim, Dept Quim Fis, E-28040 Madrid, Spain
关键词
D O I
10.1063/1.1446842
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
Wertheim's first order thermodynamic perturbation theory [M. S. Wertheim, J. Chem. Phys. 87, 7323 (1987)] has been extended to the two-dimensional tangent hard disk dimer for both the solid and the fluid phases. This extension utilizes pre-existing equations of state for the fluid [C. F. Tejero and J. A. Cuesta, Phys. Rev. E 47, 490 (1993)] and for the solid phases [B. J. Alder, W. G. Hoover, and D. A. Young, J. Chem. Phys. 49, 3688 (1968)], of the two-dimensional hard disk monomer system. The theory has been compared to simulation results and a good agreement has been found between them. Results are also presented for the fluid-solid tie line for m=2 up to m=30. The results of this work may be of interest to those involved in the study of chainlike systems adsorbed on a two-dimensional surface. (C) 2002 American Institute of Physics.
引用
收藏
页码:1757 / 1759
页数:3
相关论文
共 37 条
[1]   PHASE TRANSITION IN ELASTIC DISKS [J].
ALDER, BJ ;
WAINWRIGHT, TE .
PHYSICAL REVIEW, 1962, 127 (02) :359-&
[2]   STUDIES IN MOLECULAR DYNAMICS .V. HIGH-DENSITY EQUATION OF STATE AND ENTROPY FOR HARD DISKS AND SPHERES [J].
ALDER, BJ ;
HOOVER, WG ;
YOUNG, DA .
JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (08) :3688-&
[3]   THERMODYNAMICS AND STRUCTURE OF A FLUID OF HARD-RODS, DISKS, SPHERES, OR HYPERSPHERES FROM RESCALED VIRIAL EXPANSIONS [J].
BAUS, M ;
COLOT, JL .
PHYSICAL REVIEW A, 1987, 36 (08) :3912-3925
[4]  
BLAS FJ, 1997, MOL PHYS, V92, P1
[5]  
BOUBLIK T, 1988, MOL PHYS, V63, P685, DOI 10.1080/00268978800100491
[6]  
Bowles RK, 1996, MOL PHYS, V87, P1349, DOI 10.1080/00268979650026857
[7]  
DUDA Y, 1997, J PHYS STUDIES, V1, P45
[8]   EQUATION OF STATE OF THE CLASSICAL HARD-DISK FLUID [J].
ERPENBECK, JJ ;
LUBAN, M .
PHYSICAL REVIEW A, 1985, 32 (05) :2920-2922
[9]   THE EQUATION OF STATE OF THE CLASSICAL HARD SPHERE FLUID [J].
FRISCH, HL .
ADVANCES IN CHEMICAL PHYSICS, 1964, 6 :229-289
[10]   Monte Carlo study of the two-dimensional chemically associating fluids [J].
Henderson, D ;
Huerta, A ;
Pizio, O ;
Trokhymchuk, A .
MOLECULAR PHYSICS, 1997, 90 (04) :571-579