Structural parameters of aqueous solutions of potassium fluoride under hydrothermal conditions

被引：2
作者：
Fedotova, M. V. [1 ]
Gavrilova, E. L. [2 ]
机构：
[1] Russian Acad Sci, Inst Solut Chem, Ivanovo 153045, Russia
[2] Ivanovo State Technol Univ, Ivanovo, Russia
来源：
RUSSIAN JOURNAL OF GENERAL CHEMISTRY | 2009年 / 79卷 / 01期
关键词：
MOLECULAR-DYNAMICS SIMULATION; SUPERCRITICAL WATER; ION SOLVATION; KF SOLUTIONS; LIQUID; POTENTIALS; EQUATION; HALIDE; SALTS; NAF;
D O I：
10.1134/S1070363209010022
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
The structural parameters of aqueous KF solutions with concentrations of 10 and 20 wt % in the temperature range 473-623 K (p 18.7-24.6 MPa), obtained by the method of integral equations, are presented and compared with the structural parameters under standard conditions. Regularities of the structure formation of the systems under hydrothermal conditions, connected with ionic hydration and association, are elucidated. It is established that within the studied temperature range the number of contact associates in the solutions is stabilized, implying the possibility of formation of crystallization centers.
引用
收藏
页码：7 / 15
页数：9
相关论文
共 54 条
  • [1] [Anonymous], 1997, GEOCHEMISTRY HYDROTH
  • [2] Molecular dynamics simulation of electrolyte solutions in ambient and supercritical water .1. Ion solvation
    Balbuena, PB
    Johnston, KP
    Rossky, PJ
    [J]. JOURNAL OF PHYSICAL CHEMISTRY, 1996, 100 (07) : 2706 - 2715
  • [3] BERENDSEN HJC, 1981, JERUS S QUANTUM CHEM, V14, P331, DOI DOI 10.1007/978-94-015-7658-1_21
  • [4] Bogdanov Yu.A., 2006, Hydrothermal Ore Genesis in the Ocean Floor
  • [5] Structure and hydrogen bonding in liquid and supercritical aqueous NaCl solutions at a pressure of 1000 bar and temperatures up to 500°C:: A comprehensive experimental and computational study
    Bondarenko, GV
    Gorbaty, YE
    Okhulkov, AV
    Kalinichev, AG
    [J]. JOURNAL OF PHYSICAL CHEMISTRY A, 2006, 110 (11) : 4042 - 4052
  • [6] A MOLECULAR-DYNAMICS STUDY OF THE STRUCTURE OF AN LICL.4H2O SOLUTION
    BOPP, P
    OKADA, I
    OHTAKI, H
    HEINZINGER, K
    [J]. ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES, 1985, 40 (02): : 116 - 125
  • [7] DIELECTRIC-RELAXATION OF AQUEOUS NAF AND KF SOLUTIONS
    BUCHNER, R
    HEFTER, GT
    BARTHEL, J
    [J]. JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, 1994, 90 (17): : 2475 - 2479
  • [8] Byrappa K, 1991, HYDROTHERMAL GROWTH
  • [9] OPTIMIZED CLUSTER EXPANSIONS FOR CLASSICAL FLUIDS .2. THEORY OF MOLECULAR LIQUIDS
    CHANDLER, D
    ANDERSEN, HC
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (05) : 1930 - +
  • [10] Molecular-based modeling of water and aqueous solutions at supercritical conditions
    Chialvo, AA
    Cummings, PT
    [J]. ADVANCES IN CHEMICAL PHYSICS, VOL 109, 1999, 109 : 115 - 205
123456