Primitive models of chemical association. IV. Polymer Percus–Yevick ideal-chain approximation for heteronuclear hard-sphere chain fluids

1998 ◽  
Vol 108 (15) ◽  
pp. 6525-6534 ◽  
Author(s):  
Yu. V. Kalyuzhnyi ◽  
C.-T. Lin ◽  
G. Stell
Keyword(s):  
Hard Sphere ◽  
Ideal Chain ◽  
Chain Approximation ◽  
Chain Fluids ◽  
Chemical Association

Equations of state of freely jointed hard-sphere chain fluids: Theory

1999 ◽  
Vol 110 (11) ◽  
pp. 5444-5457 ◽  
Author(s):  
G. Stell ◽  
C.-T. Lin ◽  
Yu. V. Kalyuzhnyi
Keyword(s):  
Hard Sphere ◽  
Equations Of State ◽  
Chain Fluids

The nematic-isotropic phase transition in semiflexible fused hard-sphere chain fluids

2001 ◽  
Vol 114 (7) ◽  
pp. 3314-3324 ◽  
Author(s):  
K. M. Jaffer ◽  
S. B. Opps ◽  
D. E. Sullivan ◽  
B. G. Nickel ◽  
L. Mederos
Keyword(s):  
Phase Transition ◽  
Hard Sphere ◽  
Isotropic Phase ◽  
Chain Fluids

Equations of state for hard‐sphere chain fluids

1993 ◽  
Vol 99 (1) ◽  
pp. 533-537 ◽  
Author(s):  
Vladimir S. Mitlin ◽  
Isaac C. Sanchez
Keyword(s):  
Hard Sphere ◽  
Equations Of State ◽  
Chain Fluids

Thermodynamic properties of freely-jointed hard-sphere multi-Yukawa chain fluids: theory and simulation

2002 ◽  
Vol 194-197 ◽  
pp. 185-196 ◽  
Author(s):  
Clare McCabe ◽  
Yurij V. Kalyuzhnyi ◽  
Peter T. Cummings
Keyword(s):  
Thermodynamic Properties ◽  
Hard Sphere ◽  
Chain Fluids

scholarly journals Radial Distribution Function for a Hard Sphere Liquid: A Modified Percus-Yevick and Hypernetted-Chain Closure Relations

2021 ◽  
Author(s):  
Felipe Carvalho ◽  
João Pedro Braga
Keyword(s):  
Distribution Function ◽  
Radial Distribution Function ◽  
Radial Distribution ◽  
Hard Sphere ◽  
Closure Relation ◽  
Hard Sphere Liquid ◽  
Hypernetted Chain ◽  
Closure Relations ◽  
Chain Approximation ◽  
New Strategies

Establishment of the radial distribution function by solving the Ornstein-Zernike equation is still an important problem, even more than a hundred years after the original paper publication. New strategies and approximations are common in the literature. A crucial step in this process consists in defining a closure relation which retrieves correlation functions in agreement with experiments or molecular simulations. In this paper, the functional Taylor expansion, as proposed by J. K. Percus, is applied to introduce two new closure relations: one that modifies the Percus‑Yevick closure relation and another one modifying the Hypernetted-Chain approximation. These new approximations will be applied to a hard sphere system. An improvement for the radial distribution function is observed in both cases. For some densities a greater accuracy, by a factor of five times compared to the original approximations, was obtained.

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