The application of the integral equation theory to study the hydrophobic interaction

被引：6
|
作者：
Mohoric, Tomaz [1 ]
Urbic, Tomaz [1 ]
Hribar-Lee, Barbara [1 ]
机构：
[1] Univ Ljubljana, Fac Chem & Chem Technol, SI-1000 Ljubljana, Slovenia
来源：
JOURNAL OF CHEMICAL PHYSICS | 2014年 / 140卷 / 02期
基金：
美国国家卫生研究院;
关键词：
MOLECULAR-DYNAMICS SIMULATIONS; MONTE-CARLO-SIMULATION; HEAT-CAPACITY CHANGE; MEAN FORCE; TEMPERATURE-DEPENDENCE; FREE-ENERGY; COMPUTER-SIMULATIONS; 2-DIMENSIONAL MODEL; PRESSURE-DEPENDENCE; ANTI-COOPERATIVITY;
D O I：
10.1063/1.4858398
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：
The Wertheim's integral equation theory was tested against newly obtained Monte Carlo computer simulations to describe the potential of mean force between two hydrophobic particles. An excellent agreement was obtained between the theoretical and simulation results. Further, the Wertheim's integral equation theory with polymer Percus-Yevick closure qualitatively correctly (with respect to the experimental data) describes the solvation structure under conditions where the simulation results are difficult to obtain with good enough accuracy. (C) 2014 AIP Publishing LLC.
引用
收藏
页数：6
相关论文
共 50 条
  • [1] Integral Equation Study of the Hydrophobic Interaction between Graphene Plates
    Howard, Jesse J.
    Perkyns, John S.
    Choudhury, Niharendu
    Pettitt, B. Montgomery
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2008, 4 (11) : 1928 - 1939
  • [2] APPLICATION OF SCALED PARTICLE THEORY TO PROBLEM OF HYDROPHOBIC INTERACTION
    BENNAIM, A
    TENNE, R
    JOURNAL OF CHEMICAL PHYSICS, 1977, 67 (02): : 627 - 635
  • [3] STUDY OF AN INTEGRAL EQUATION ARISING IN DETECTION THEORY
    WOOD, MG
    MOORE, JB
    ANDERSON, BD
    IEEE TRANSACTIONS ON INFORMATION THEORY, 1971, 17 (06) : 677 - +
  • [4] Interaction of colloidal particles with macromolecules: The RISM integral equation theory
    Khalatur, PG
    Zherenkova, LV
    Khokhlov, AR
    JOURNAL DE PHYSIQUE II, 1997, 7 (04): : 543 - 582
  • [5] Application of integral equation theory to polyolefin liquids and blends.
    Curro, JG
    Weinholc, JD
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1998, 215 : U295 - U295
  • [6] The application of symmetrical equation of diffracted wavevectors in integral theory of gratings
    Gao, Jianxiang
    Zhang, Fangcheng
    ADVANCED ENGINEERING MATERIALS II, PTS 1-3, 2012, 535-537 : 1354 - 1358
  • [7] Application of the integral equation theory to rodlike polyelectrolytes in a poor solvent
    Zherenkova, L.V.
    Kriksin, Yu.A.
    Talitskikh, S.K.
    Khalatur, P.G.
    Vysokomolekularnye Soedineniya. Ser.A Ser.B Ser.C - Kratkie Soobshcheniya, 2002, 44 (07): : 1240 - 1250
  • [8] Application of the integral equation theory to rodlike polyelectrolytes in a poor solvent
    Zherenkova, LV
    Kriksin, YA
    Talitskikh, SK
    Khalatur, PG
    POLYMER SCIENCE SERIES A, 2002, 44 (07) : 791 - 799
  • [9] Interaction of colloidal particles with macromolecules: The RISM integral equation theory.
    Khalatur, PG
    Zherenkova, LV
    Khokhlov, AR
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1996, 212 : 90 - COLL
  • [10] Comparative study on solvation free energy expressions in reference interaction site model integral equation theory
    Sato, K
    Chuman, H
    Ten-no, S
    JOURNAL OF PHYSICAL CHEMISTRY B, 2005, 109 (36): : 17290 - 17295
12345