Monte Carlo simulation of n-alkane adsorption isotherms in carbon slit pores

被引：58
|
作者：
Severson, Benjamin L. [1 ]
Snurr, Randall Q. [1 ]
机构：
[1] Northwestern Univ, Dept Chem & Biol Engn, Evanston, IL 60208 USA
来源：
JOURNAL OF CHEMICAL PHYSICS | 2007年 / 126卷 / 13期
基金：
美国国家科学基金会;
关键词：
D O I：
10.1063/1.2713097
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：
The single component adsorption of alkanes in carbon slit pores was studied using configurational-biased grand canonical Monte Carlo simulations. Wide ranges of temperature, pressure, alkane chain length, and slit height were studied to evaluate their effects on adsorption. Adsorption isotherms and density and orientation profiles were calculated. The behavior of long alkanes at high temperatures was found to be similar to short alkanes at lower temperatures. This suggests that the isotherms may be related through the Polanyi potential theory. (c) 2007 American Institute of Physics.
引用
下载
收藏
页数：7
相关论文
共 50 条
  • [21] ADSORPTION OF N-ALKANE VAPORS ON WATER
    HAUXWELL, F
    PALLAS, NR
    PETHICA, BA
    LANGMUIR, 1992, 8 (02) : 602 - 603
  • [22] ADSORPTION OF N-ALKANE VAPORS ON GRAPHON
    CLINT, JH
    JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS I, 1972, 68 (12): : 2239 - &
  • [23] Branched versus linear alkane adsorption in carbonaceous slit pores
    Harrison, A.
    Cracknell, R. F.
    Krueger-Venus, J.
    Sarkisov, L.
    ADSORPTION-JOURNAL OF THE INTERNATIONAL ADSORPTION SOCIETY, 2014, 20 (2-3): : 427 - 437
  • [24] Monte Carlo computer simulation of adsorption of diatomic fluids in slitlike pores
    Vishnyakov, A
    Piotrovskaya, EM
    Brodskaya, EN
    LANGMUIR, 1996, 12 (15) : 3643 - 3649
  • [25] Branched versus linear alkane adsorption in carbonaceous slit pores
    A. Harrison
    R. F. Cracknell
    J. Krueger-Venus
    L. Sarkisov
    Adsorption, 2014, 20 : 427 - 437
  • [26] Monte Carlo simulation of primitive water in slit-like pores:: networks and clusters
    Galle, J
    Vörtler, HL
    SURFACE SCIENCE, 1999, 421 (1-2) : 33 - 43
  • [27] MONTE-CARLO COMPUTER-SIMULATION OF CHAIN MOLECULES .6. INTERACTIONS BETWEEN N-ALKANE MOLECULES
    LAL, M
    SPENCER, D
    JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 1973, 69 (10): : 1502 - 1509
  • [28] N-ALKANE SIMULATION USING A SKELETAL ALKANE MODEL
    WEBER, TA
    BULLETIN OF THE AMERICAN PHYSICAL SOCIETY, 1978, 23 (03): : 250 - 250
  • [29] Molecular Simulation of Benzene Adsorption in Graphitic and Amorphous Carbon Slit Pores
    V. Ivanova, Ella
    Emelianova, Alina
    Khalizov, Alexei F.
    Gor, Gennady Y.
    JOURNAL OF CHEMICAL AND ENGINEERING DATA, 2022, 67 (07): : 1765 - 1778
  • [30] n-alkane adsorption to polar silica surfaces
    Brindza, Michael R.
    Ding, Feng
    Fourkas, John T.
    Walker, Robert A.
    JOURNAL OF CHEMICAL PHYSICS, 2010, 132 (11):
12345