DOI: 10.1006/jcph.2001.6877. Monte Carlo Algorithms for Complex Surface Reaction Mechanisms: Efficiency and Accuracy

Monte Carlo Algorithms for Complex Surface Reaction Mechanisms: Efficiency and Accuracy

10.1006/jcph.2001.6877

Crossref journal-article

Elsevier BV

Journal of Computational Physics (78)

Bibliography

Reese, J. S., Raimondeau, S., & Vlachos, D. G. (2001). Monte Carlo Algorithms for Complex Surface Reaction Mechanisms: Efficiency and Accuracy. Journal of Computational Physics, 173(1), 302â321.

Authors 3

J.S. Reese (first)
S. Raimondeau (additional)
D.G. Vlachos (additional)

References 47 Referenced 94

10.1103/PhysRevLett.56.2553 / Phys. Rev. Lett by Ziff (1986)
10.1103/PhysRevE.57.6840 / Phys. Rev. E by Albano (1998)
10.1063/1.477178 / J. Chem. Phys by Cortés (1998)
10.1103/PhysRevB.55.4105 / Phys. Rev. B by Zhdanov (1997)
10.1063/1.460346 / J. Chem. Phys by Bagnoli (1991)
10.1103/PhysRevE.56.R6241 / Phys. Rev. E by Voigt (1997)
10.1088/0305-4470/23/19/015 / J. Phys. A: Math. Gen by ben-Avraham (1990)
10.1103/PhysRevE.50.4302 / Phys. Rev. E by Evans (1994)
10.1016/0039-6028(91)90042-Q / Surf. Sci by Evans (1991)
10.1063/1.464174 / J. Chem. Phys by Evans (1993)
10.1063/1.474977 / J. Chem. Phys by Voigt (1997)
10.1016/S0301-0104(98)00014-7 / Chem. Phys by Cortés (1998)
10.1016/0009-2614(94)01497-J / Chem. Phys. Lett by Guo (1995)
10.1016/0021-9517(91)90271-5 / J. Catal by Yaldram (1991)
10.1063/1.473295 / J. Chem. Phys by Cortés (1997)
10.1103/PhysRevLett.69.656 / Phys. Rev. Lett by Albano (1992)
10.1016/S0039-6028(98)00385-9 / Surf. Sci by Williams (1998)
10.1088/0305-4470/25/9/026 / J. Phys. A: Math. Gen by Albano (1992)
10.1063/1.459313 / J. Chem. Phys by Vlachos (1990)
10.1016/0039-6028(91)90850-R / Surf. Sci by Vlachos (1991)
10.1103/RevModPhys.65.1281 / Rev. Mod. Phys by Evans (1993)
10.1016/0167-5729(94)90009-4 / Surf. Sci. Rep by Zhdanov (1994)
10.1016/S0167-5729(00)00004-2 / Surf. Sci. Rep by Zhdanov (2000)
10.1021/cr00035a010 / Chem. Rev by Kang (1995)
10.1016/S0920-5861(99)00120-0 / Catal. Today by Jansen (1999)
10.1016/0167-5729(91)90004-H / Surf. Sci. Rep by Lombardo (1991)
10.1016/S0926-860X(97)00130-0 / Appl. Catal. A: Gen by Nieminen (1997)
10.1063/1.461138 / J. Chem. Phys by Fichthorn (1991)
10.1016/S0009-2509(97)00192-9 / Chem. Eng. Sci by Qin (1998)
10.1016/0097-8485(89)80023-3 / Comput. Chem by Dufour (1989)
10.1103/PhysRevA.41.3411 / Phys. Rev. A by Jensen (1990)
10.1103/PhysRevB.52.5400 / Phys. Rev. B by Jansen (1995)
10.1016/0010-4655(94)00155-U / Comput. Phys. Commun by Jansen (1995)
10.1063/1.473310 / J. Chem. Phys by Jansen (1997)
10.1016/S0082-0784(98)80076-3 / Twenty-Seventh Symposium (International) on Combustion by Kissel-Osterrieder (1998)
10.1016/0021-9991(75)90060-1 / J. Comput. Phys by Bortz (1975)
10.1016/0021-9991(76)90041-3 / J. Comput. Phys by Gillespie (1976)
10.1021/j100540a008 / J. Phys. Chem by Gillespie (1977)
10.1103/PhysRevB.47.4896 / Phys. Rev. B by Vlachos (1993)
10.1063/1.1699114 / J. Chem. Phys by Metropolis (1953)
10.1002/aic.690431115 / AIChE J by Vlachos (1997)
10.1016/S0009-2509(97)00275-3 / Chem. Eng. Sci by Vlachos (1998)
{'key': '10.1006/jcph.2001.6877_RF43', 'author': 'Coltrin', 'year': '1990', 'journal-title': 'Surface Chemkin (Version 4.0): A FORTRAN Package for Analyzing Heterogeneous Chemical Kinetics at a Solid-Surface-Gas-Phase Interface'} / Surface Chemkin (Version 4.0): A FORTRAN Package for Analyzing Heterogeneous Chemical Kinetics at a Solid-Surface-Gas-Phase Interface by Coltrin (1990)
10.1016/0039-6028(95)00466-1 / Surf. Sci by Sholl (1995)
{'key': '10.1006/jcph.2001.6877_RF45', 'first-page': '19', 'volume': '11', 'author': 'Nicholson', 'year': '1984', 'journal-title': 'CCP5 Quart'} / CCP5 Quart by Nicholson (1984)
10.1103/PhysRevE.58.2598 / Phys. Rev. E by Lukkien (1998)
10.1021/ie960577i / Ind. Eng. Chem. Res by Bui (1997)

Dates

Type	When
Created	22 years, 10 months ago (Oct. 6, 2002, 11:48 a.m.)
Deposited	6 years, 4 months ago (April 11, 2019, 6:24 a.m.)
Indexed	1 year ago (Aug. 12, 2024, 7:15 a.m.)
Issued	23 years, 11 months ago (Oct. 1, 2001)
Published	23 years, 11 months ago (Oct. 1, 2001)
Published Print	23 years, 11 months ago (Oct. 1, 2001)

Funders 0

None

BibTeX

@article{Reese_2001, title={Monte Carlo Algorithms for Complex Surface Reaction Mechanisms: Efficiency and Accuracy}, volume={173}, ISSN={0021-9991}, url={http://dx.doi.org/10.1006/jcph.2001.6877}, DOI={10.1006/jcph.2001.6877}, number={1}, journal={Journal of Computational Physics}, publisher={Elsevier BV}, author={Reese, J.S. and Raimondeau, S. and Vlachos, D.G.}, year={2001}, month=oct, pages={302–321} }

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