Kinetic Monte Carlo Molecular Simulation of Chemical Reaction Equilibria

被引：0
|
作者：
Kelly, Braden D. [1 ]
Smith, William R. [1 ,2 ,3 ]
机构：
[1] Univ Guelph, Dept Math & Stat, Guelph, ON, Canada
[2] Univ Guelph, Dept Chem, Guelph, ON, Canada
[3] Univ Waterloo, Dept Chem Engn, Waterloo, ON, Canada
来源：
CUTTING-EDGE TECHNOLOGY FOR CARBON CAPTURE, UTILIZATION, AND STORAGE | 2018年
关键词：
D O I：
暂无
中图分类号：
O69 [应用化学];
学科分类号：
081704 ;
摘要：
引用
收藏
页码：257 / 262
页数：6
相关论文
共 50 条
  • [1] Molecular simulation of chemical reaction equilibria by Kinetic Monte Carlo
    Kelly, Braden
    Smith, William R.
    MOLECULAR PHYSICS, 2019, 117 (20) : 2778 - 2785
  • [2] Simulation of chemical reaction equilibria by the reaction ensemble Monte Carlo method: a review
    Turner, C. Heath
    Brennan, John K.
    Lisal, Martin
    Smith, William R.
    Johnson, J. Karl
    Gubbins, Keith E.
    MOLECULAR SIMULATION, 2008, 34 (02) : 119 - 146
  • [3] Kinetic Monte Carlo simulation of chemical vapor deposition
    Battaile, CC
    Srolovitz, DJ
    ANNUAL REVIEW OF MATERIALS RESEARCH, 2002, 32 : 297 - 319
  • [4] Kinetic study of amide interchange reaction: Monte Carlo simulation
    Wang, CS
    Sun, JF
    Wang, XQ
    Proceedings of 2005 International Conference on Advanced Fibers and Polymer Materials (ICAFPM 2005), Vol 1 and 2: NEW CENTURY , NEW MATERIALS AND NEW LIFE, 2005, : 1088 - 1091
  • [5] Monte Carlo study of chemical reaction equilibria in pores of activated carbons
    Furmaniak, Sylwester
    Gauden, Piotr A.
    Kowalczyk, Piotr
    Patrykiejew, Andrzej
    RSC ADVANCES, 2017, 7 (85): : 53667 - 53679
  • [6] Monte Carlo simulation of osmotic equilibria
    Schreiber, Sebastian
    Hentschke, Reinhard
    JOURNAL OF CHEMICAL PHYSICS, 2011, 135 (13):
  • [7] Simulation Landolt chemical oscillation reaction by Monte Carlo method
    Zhou, Lu
    Chen, Min
    Jia, Junhong
    Wang, Xiaojun
    Chengdu Kejidaxue Xuebao/Journal of Chengdu University of Science and Technology, 1 (03): : 33 - 37
  • [8] Estimation of kinetic parameters for chemical reactions based on Monte Carlo simulation
    Zhan, XL
    Luo, ZH
    Chen, FQ
    Yang, YR
    CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE, 2003, 24 (08): : 1511 - 1514
  • [9] Development of kinetic Monte Carlo and Bin-Monte Carlo schemes for simulation of mixtures - vapor-liquid equilibria & adsorption
    Nguyen, Van T.
    Fan, Chunyan
    Razak, Mu'sab Abdul
    Do, D. D.
    Nicholson, D.
    Ustinov, E.
    CHEMICAL ENGINEERING SCIENCE, 2013, 102 : 220 - 226
  • [10] Efficient kinetic Monte Carlo simulation
    Schulze, Tim P.
    JOURNAL OF COMPUTATIONAL PHYSICS, 2008, 227 (04) : 2455 - 2462
12345