CORRELATING SOLVATION FREE-ENERGIES AND SURFACE TENSIONS OF HYDROCARBON SOLUTES

被引：107
|
作者：
SITKOFF, D
SHARP, KA
HONIG, B
机构：
[1] COLUMBIA UNIV,DEPT BIOCHEM & MOLEC BIOPHYS,NEW YORK,NY 10032
[2] UNIV PENN,DEPT BIOCHEM & BIOPHYS,PHILADELPHIA,PA 19104
来源：
BIOPHYSICAL CHEMISTRY | 1994年 / 51卷 / 2-3期
关键词：
SOLVATION FREE ENERGY; SURFACE TENSION; HYDROCARBON; ALKANE;
D O I：
10.1016/0301-4622(94)00062-X
中图分类号：
Q5 [生物化学]; Q7 [分子生物学];
学科分类号：
071010 ; 081704 ;
摘要：
A simple equation relating ratios of transfer free energies and solvation free energies to surface tension is derived. When applied to hydrocarbons in water, experimental values for macroscopic surface tension yield remarkably accurate predictions of a ratio involving microscopic quantities, if one uses transfer free energies which have been adjusted for the effects of solute/solvent volume differences. The results support the validity of applying macroscopic concepts such as interfacial free energy at the molecular level. They further suggest that molecular volume as well as surface area contributes to the solubility of hydrocarbons in water.
引用
收藏
页码：397 / 409
页数：13
相关论文
共 50 条
  • [21] SURFACE AND INTERFACIAL FREE-ENERGIES OF QUARTZ
    PARKS, GA
    [J]. JOURNAL OF GEOPHYSICAL RESEARCH, 1984, 89 (NB6): : 3997 - 4008
  • [22] SURFACE FREE-ENERGIES OF LEAD CHALCOGENIDES
    OSHCHERIN, BN
    [J]. PHYSICA STATUS SOLIDI A-APPLICATIONS AND MATERIALS SCIENCE, 1974, 22 (02): : K227 - K229
  • [23] EXTENDED SCALED PARTICLE THEORY FOR DILUTE-SOLUTIONS OF ARBITRARY SHAPED SOLUTES - AN APPLICATION TO SOLVATION FREE-ENERGIES OF HYDROCARBONS
    IRISA, M
    NAGAYAMA, K
    HIRATA, F
    [J]. CHEMICAL PHYSICS LETTERS, 1993, 207 (4-6) : 430 - 435
  • [24] PREDICTION OF ION SOLVATION FREE-ENERGIES IN A POLARIZABLE DIELECTRIC CONTINUUM
    BONTHA, JR
    PINTAURO, PN
    [J]. JOURNAL OF PHYSICAL CHEMISTRY, 1992, 96 (19): : 7778 - 7782
  • [25] PHOTOEMISSION AND SOLVATION FREE-ENERGIES OF ELECTRONS IN POLAR-SOLVENTS
    YAMASHITA, K
    IMAI, H
    [J]. BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 1977, 50 (05) : 1066 - 1069
  • [26] FREE-ENERGIES OF SOLVATION OF SILVER-HALIDES IN IONIC MELTS
    JAIN, SK
    SETHI, RS
    [J]. INDIAN JOURNAL OF CHEMISTRY SECTION A-INORGANIC BIO-INORGANIC PHYSICAL THEORETICAL & ANALYTICAL CHEMISTRY, 1977, 15 (06): : 551 - 553
  • [27] SURFACE FREE-ENERGIES AND FRACTURE SURFACE ENERGIES OF GLASSY-POLYMERS
    LEE, LH
    [J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1981, 182 (AUG): : 129 - COLL
  • [28] Prediction of Solvation Free Energies of Ionic Solutes in Neutral Solvents
    Kroeger, Leif C.
    Mueller, Simon
    Smirnova, Irina
    Leonhard, Kai
    [J]. JOURNAL OF PHYSICAL CHEMISTRY A, 2020, 124 (20): : 4171 - 4181
  • [29] SOLVATION FREE-ENERGIES OF NONPOLAR AND POLAR SOLUTES REPRODUCED BY A COMBINATION OF EXTENDED SCALED PARTICLE THEORY AND THE POISSON-BOLTZMANN EQUATION
    IRISA, M
    TAKAHASHI, T
    NAGAYAMA, K
    HIRATA, F
    [J]. MOLECULAR PHYSICS, 1995, 85 (06) : 1227 - 1238
  • [30] CALCULATION OF THE FREE-ENERGIES OF SOLVATION OF INFLUENZA-VIRUS NEURAMINIDASE INHIBITORS
    EPA, VC
    SMITH, BJ
    [J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1994, 207 : 126 - COMP
12345