Solvation of a water molecule in cyclohexane and water

被引:8
|
作者
Graziano, G
机构
[1] Univ Naples Federico II, Dipartimento Chim, Complesso Univ Monte S Angelo, I-80126 Naples, Italy
[2] Univ Sannio, Fac Sci, I-82100 Benevento, Italy
关键词
water; cavity creation; H-bonds; van der Waals interactions;
D O I
10.1139/cjc-79-2-105
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Reliable values for the thermodynamic functions associated with the solvation of a water molecule in its own liquid phase and in cyclohexane, at 25 degreesC, are obtained using experimental data from different investigations. They are successfully rationalized by means of a general theory of solvation. The standard Gibbs energy change is given by the balance of two contrasting terms: the work to create a cavity in the solvent suitable to host the water molecule; and the work to turn on the water-solvent interactions. It proves that the work of cavity creation is largely overwhelmed by the formation of two H-bonds in liquid water, whereas it is almost exactly counterbalanced by the establishment of van der Waals interactions in liquid cyclohexane.
引用
收藏
页码:105 / 109
页数:5
相关论文
共 50 条
  • [21] Solvation of hydroxyl ions in water
    Botti, A
    Bruni, F
    Imberti, S
    Ricci, MA
    Soper, AK
    JOURNAL OF CHEMICAL PHYSICS, 2003, 119 (10): : 5001 - 5004
  • [22] Dynamics of solvation in supercritical water
    Re, M
    Laria, D
    JOURNAL OF PHYSICAL CHEMISTRY B, 1997, 101 (49): : 10494 - 10505
  • [23] FEMTOSECOND SOLVATION DYNAMICS OF WATER
    JIMENEZ, R
    FLEMING, GR
    KUMAR, PV
    MARONCELLI, M
    NATURE, 1994, 369 (6480) : 471 - 473
  • [24] Solvation of bihalide anions with water
    Kemp, Daniel D.
    Gordon, Mark S.
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2006, 231
  • [25] Solvation structure of ions in water
    Mountain, Raymond D.
    INTERNATIONAL JOURNAL OF THERMOPHYSICS, 2007, 28 (02) : 536 - 543
  • [26] Water Interfaces, Solvation, and Spectroscopy
    Geissler, Phillip L.
    ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 64, 2013, 64 : 317 - 337
  • [27] Solvation Structure of Ions in Water
    Raymond D. Mountain
    International Journal of Thermophysics, 2007, 28 : 536 - 543
  • [28] Predicting cyclohexane/water distribution coefficients for the SAMPL5 challenge using MOSCED and the SMD solvation model
    Diaz-Rodriguez, Sebastian
    Bozada, Samantha M.
    Phifer, Jeremy R.
    Paluch, Andrew S.
    JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 2016, 30 (11) : 1007 - 1017
  • [29] Predicting cyclohexane/water distribution coefficients for the SAMPL5 challenge using MOSCED and the SMD solvation model
    Sebastian Diaz-Rodriguez
    Samantha M. Bozada
    Jeremy R. Phifer
    Andrew S. Paluch
    Journal of Computer-Aided Molecular Design, 2016, 30 : 1007 - 1017
  • [30] SOLVATION POTENTIALS AND ANION SOLVATION IN METHANOL + WATER MIXTURES
    HODGES, AM
    MCTIGUE, PT
    ABELA, D
    JOURNAL OF ELECTROANALYTICAL CHEMISTRY, 1991, 306 (1-2): : 55 - 69