A DIELECTRICALLY CONSISTENT INTERACTION SITE THEORY FOR SOLVENT ELECTROLYTE MIXTURES

被引:198
作者
PERKYNS, JS
PETTITT, BM
机构
[1] Chemistry Department, University of Houston, Houston
关键词
D O I
10.1016/0009-2614(92)85201-K
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
A reformulation of reference interaction site model theory is proposed. The approach makes use of the formally correct asymptotic form of the correlations obtained from the one-center angular expansion technique. A modified closure, or equivalently, a modified propagation equation for site-site correlations is shown to incorporate the necessary information to allow dielectric consistency in finite-concentration salt solutions. Examples of the correlations and thermodynamics are given.
引用
收藏
页码:626 / 630
页数:5
相关论文
共 27 条
[1]  
ANDERSON CF, 1990, ANNU REV BIOPHYS BIO, V19, P301
[2]   STUDIES OF DISPERSION OF COMPLEX DI-ELECTRICITY CONSTANTS OF AQUEOUS AND NON-AQUEOUS ELECTROLYTE SOLUTIONS .2. MICROWAVE MEASUREMENTS OF DIELECTRICITY CONSTANTS AND RELAXATION-TIME IN SOLUTIONS OF ALKALI NITRATES AND CHLORIDE IN POLAR-SOLVENTS [J].
BEHRET, H ;
SCHMITHALS, F ;
BARTHEL, J .
ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-FRANKFURT, 1975, 96 (1-3) :73-88
[3]  
Berendsen H. J. C., 1981, JERUSALEM S QUANTUM
[4]   MONTE-CARLO STUDY OF THERMODYNAMICS OF ELECTROLYTE SOLUTIONS [J].
CARD, DN ;
VALLEAU, JP .
JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (12) :6232-&
[5]   THEORY OF DIPOLAR FLUIDS AND ION-DIPOLE MIXTURES [J].
CHAN, DYC ;
MITCHELL, DJ ;
NINHAM, BW ;
PAILTHORPE, BA .
JOURNAL OF CHEMICAL PHYSICS, 1978, 69 (02) :691-696
[6]   OPTIMIZED CLUSTER EXPANSIONS FOR CLASSICAL FLUIDS .2. THEORY OF MOLECULAR LIQUIDS [J].
CHANDLER, D ;
ANDERSEN, HC .
JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (05) :1930-+
[7]   NEW AND PROPER INTEGRAL-EQUATIONS FOR SITE-SITE EQUILIBRIUM CORRELATIONS IN MOLECULAR FLUIDS [J].
CHANDLER, D ;
SILBEY, R ;
LADANYI, BM .
MOLECULAR PHYSICS, 1982, 46 (06) :1335-1345
[8]   DIELECTRIC-CONSTANT AND RELATED EQUILIBRIUM PROPERTIES OF MOLECULAR FLUIDS - INTERACTION SITE CLUSTER THEORY ANALYSIS [J].
CHANDLER, D .
JOURNAL OF CHEMICAL PHYSICS, 1977, 67 (03) :1113-1124
[9]   IONIC SIZES + BORN REPULSIVE PARAMETERS IN NACL-TYPE ALKALI HALIDES .I. HUGGINS-MAYER + PAULING FORMS [J].
FUMI, FG ;
TOSI, MP .
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 1964, 25 (01) :31-&
[10]  
Hamer W. J., 1972, J PHYS CHEM REF DATA, V1, P1047, DOI DOI 10.1063/1.3253108