Vapour-liquid equilibrium of fluids composed by oblate molecules

被引:15
|
作者
Gamez, Francisco [1 ]
Lago, Santiago [1 ]
Garzon, Benito [2 ]
Merkling, Patrick J. [1 ]
Vega, Carlos [3 ]
机构
[1] Univ Pablo Olavide, Dpto sistemas Fis Quim & Nat, Fac Ciencias Expt, Seville 41013, Spain
[2] Univ San Pablo CEU, Dept Fis Aplicada Fisicoquim & Opt, Fac Farm, Urb Monteprincipe Boadil 28660, Spain
[3] Univ Complutense, Dpto Quim Fis, Fac CC Quim, E-28040 Madrid, Spain
关键词
vapour-liquid equilibrium; oblate molecules; Boyle temperature; intermolecular potential;
D O I
10.1080/00268970802129826
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
Gibbs ensemble Monte Carlo simulations are performed to obtain the vapour-liquid equilibrium of oblate-like fluids interacting through the Kihara intermolecular potential. Results confirm the validity of a perturbation theory for Kihara fluids, whose accuracy for prolate fluids was tested some years ago. As in the case of hard ellipsoids, the symmetry of the phase diagram of oblate and prolate models is analysed. An interesting relation of Boyle temperature and critical parameters with molecular volume is found for the considered models. As a particular application, this relation allows the prediction of some thermodynamic properties of a new promising biofuel 2,5dimethylfuran.
引用
收藏
页码:1331 / 1339
页数:9
相关论文
共 50 条
  • [1] Accurate vapour-liquid equilibrium calculations of simple fluids
    Cuadros, F
    Okrasinski, W
    Ahumada, W
    Mulero, A
    [J]. PHASE TRANSITIONS, 1996, 57 (04) : 183 - 198
  • [2] Prediction of Vapour-Liquid Equilibrium for n-alkane Fluids
    Akhouri, Binay Prakash
    Akhtar, Khurshid
    Akhouri, Tej Prakash
    [J]. ORIENTAL JOURNAL OF CHEMISTRY, 2016, 32 (01) : 533 - 538
  • [3] VAPOUR-LIQUID EQUILIBRIUM STILL
    VILCU, R
    CENUSE, Z
    [J]. REVUE ROUMAINE DE CHIMIE, 1971, 16 (11) : 1635 - &
  • [4] VAPOUR-LIQUID EQUILIBRIUM OF TERNARY SYSTEMS
    DICAVE, S
    [J]. BRITISH CHEMICAL ENGINEERING, 1968, 13 (06): : 314 - &
  • [5] The extrapolation of the vapour-liquid equilibrium curves of pure fluids in the isothermal Gibbs ensemble
    Boda, D
    Kristóf, T
    Liszi, J
    Szalai, I
    [J]. MOLECULAR PHYSICS, 2002, 100 (12) : 1989 - 2000
  • [6] Modelling of hydrocracking with vapour-liquid equilibrium
    Pellegrini, Laura A.
    Gamba, Simone
    Calemma, Vincenzo
    Bonomi, Susi
    [J]. CHEMICAL ENGINEERING SCIENCE, 2008, 63 (17) : 4285 - 4291
  • [7] A MODIFIED VAPOUR-LIQUID EQUILIBRIUM STILL
    FOWLER, RT
    [J]. JOURNAL OF THE SOCIETY OF CHEMICAL INDUSTRY-LONDON, 1949, 68 (04): : 131 - 132
  • [8] A VACUUM VAPOUR-LIQUID EQUILIBRIUM STILL
    ELLIS, SRM
    FROOME, BA
    [J]. CHEMISTRY & INDUSTRY, 1954, (09) : 237 - 240
  • [9] Information geometry in vapour-liquid equilibrium
    Brody, Dorje C.
    Hook, Daniel W.
    [J]. JOURNAL OF PHYSICS A-MATHEMATICAL AND THEORETICAL, 2009, 42 (02)
  • [10] VAPOUR-LIQUID EQUILIBRIUM RELATIONSHIPS IN EXTRACTIVE DISTILLATION
    HERINGTON, EFG
    [J]. NATURE, 1952, 170 (4335) : 935 - 935