MONTE-CARLO SIMULATION OF SOLUBILITIES OF NAPHTHALENE IN SUPERCRITICAL CARBON-DIOXIDE

被引：30
|
作者：
IWAI, Y
KOGA, Y
HATA, Y
UCHIDA, H
ARAI, Y
机构：
[1] Department of Chemical Engineering, Kyushu University, Fukuoka, 812, Hakozaki
来源：
FLUID PHASE EQUILIBRIA | 1995年 / 104卷
关键词：
THEORY; COMPUTER SIMULATION; MONTE CARLO; SOLID-GAS EQUILIBRIA; LENNARD-JONES; SUPERCRITICAL FLUID EXTRACTION;
D O I：
10.1016/0378-3812(94)02664-M
中图分类号：
O414.1 [热力学];
学科分类号：
摘要：
The test particle method proposed by Widom was applied to calculate the solubilities of naphthalene in supercritical carbon dioxide at 308.15 and 328.15 K. The Lennard-Jones (12-6) potential was used as the intermolecular potential. The solubilities of naphthalene in supercritical carbon dioxide have been calculated quantitatively by introducing two binary interaction parameters k(12) and l(12) between unlike molecules. The binary interaction parameter k(12) is used to calculate the energy parameter epsilon(12), while l(12) is used to calculate the size parameter sigma(12). The calculated results by the Monte Carlo simulation show in good agreement with the experimental data.
引用
下载
收藏
页码：403 / 412
页数：10
相关论文
共 50 条
  • [41] SUPERCRITICAL CARBON-DIOXIDE .3. THE DECOMPOSITION OF PHENYLAZOTRIPHENYLMETHANE IN SUPERCRITICAL CARBON-DIOXIDE
    SIGMAN, ME
    LEFFLER, JE
    JOURNAL OF ORGANIC CHEMISTRY, 1987, 52 (06): : 1165 - 1167
  • [42] SOLUBILITIES OF THEOBROMINE AND CAFFEINE IN SUPERCRITICAL CARBON-DIOXIDE - CORRELATION WITH DENSITY-BASED MODELS
    LI, S
    VARADARAJAN, GS
    HARTLAND, S
    FLUID PHASE EQUILIBRIA, 1991, 68 : 263 - 280
  • [43] SOLUBILITIES OF 1-HEXADECANOL AND 1-OCTADECANOL IN SUBCRITICAL AND SUPERCRITICAL CARBON-DIOXIDE
    YAU, JS
    TSAI, FN
    JOURNAL OF CHEMICAL AND ENGINEERING DATA, 1992, 37 (03): : 285 - 287
  • [44] SOLUBILITIES OF COPPER(II) AND CHROMIUM(III) BETA-DIKETONATES IN SUPERCRITICAL CARBON-DIOXIDE
    LAGALANTE, AF
    HANSEN, BN
    BRUNO, TJ
    SIEVERS, RE
    INORGANIC CHEMISTRY, 1995, 34 (23) : 5781 - 5785
  • [45] ESTIMATION OF SOLUBILITIES IN SUPERCRITICAL CARBON-DIOXIDE - A CORRELATION FOR THE PENG-ROBINSON INTERACTION PARAMETERS
    BARTLE, KD
    CLIFFORD, AA
    SHILSTONE, GF
    JOURNAL OF SUPERCRITICAL FLUIDS, 1992, 5 (03): : 220 - 225
  • [46] MEASUREMENTS AND CORRELATION OF EFFECT OF COSOLVENTS ON THE SOLUBILITIES OF COMPLEX-MOLECULES IN SUPERCRITICAL CARBON-DIOXIDE
    NOH, MJ
    KIM, TG
    HONG, IK
    YOO, KP
    KOREAN JOURNAL OF CHEMICAL ENGINEERING, 1995, 12 (01) : 48 - 55
  • [47] MONTE-CARLO SIMULATION OF WATER
    PANGALI, CS
    RAO, M
    BERNE, BJ
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1978, 175 (MAR): : 1 - 1
  • [48] MONTE-CARLO SIMULATION OF WATER
    LADD, AJC
    MOLECULAR PHYSICS, 1977, 33 (04) : 1039 - 1050
  • [49] MONTE-CARLO SIMULATION OF MICTOMAGNETS
    YASHONATH, S
    KRISHNAMURTHY, B
    RAMASESHA, S
    RAO, CNR
    ZEITSCHRIFT FUR PHYSIK B-CONDENSED MATTER, 1982, 46 (04): : 341 - 346
  • [50] A MONTE-CARLO SIMULATION OF COAGULATION
    GARCIA, AL
    VANDENBROECK, C
    AERTSENS, M
    SERNEELS, R
    PHYSICA A, 1987, 143 (03): : 535 - 546
12345