DOI: 10.1063/1.2907849. Homogeneous nucleation in supersaturated vapors of methane, ethane, and carbon dioxide predicted by brute force molecular dynamics

Homogeneous nucleation in supersaturated vapors of methane, ethane, and carbon dioxide predicted by brute force molecular dynamics

10.1063/1.2907849

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

Molecular dynamics (MD) simulation is applied to the condensation process of supersaturated vapors of methane, ethane, and carbon dioxide. Simulations of systems with up to a 106 particles were conducted with a massively parallel MD program. This leads to reliable statistics and makes nucleation rates down to the order of 1030m−3s−1 accessible to the direct simulation approach. Simulation results are compared to the classical nucleation theory (CNT) as well as the modification of Laaksonen, Ford, and Kulmala (LFK) which introduces a size dependence of the specific surface energy. CNT describes the nucleation of ethane and carbon dioxide excellently over the entire studied temperature range, whereas LFK provides a better approach to methane at low temperatures.

Bibliography

Horsch, M., Vrabec, J., Bernreuther, M., Grottel, S., Reina, G., Wix, A., Schaber, K., & Hasse, H. (2008). Homogeneous nucleation in supersaturated vapors of methane, ethane, and carbon dioxide predicted by brute force molecular dynamics. The Journal of Chemical Physics, 128(16).

Authors 8

Martin Horsch (first)
Jadran Vrabec (additional)
Martin Bernreuther (additional)
Sebastian Grottel (additional)
Guido Reina (additional)
Andrea Wix (additional)
Karlheinz Schaber (additional)
Hans Hasse (additional)

References 57 Referenced 32

{'volume-title': 'Collected Works. Vol. 1 Thermodynamics', 'year': '1928', 'key': '2023080400105155000_c1'} / Collected Works. Vol. 1 Thermodynamics (1928)
{'key': '2023080400105155000_c2', 'first-page': '277', 'volume': '119', 'year': '1926', 'journal-title': 'Z. Phys. Chem. (Leipzig)'} / Z. Phys. Chem. (Leipzig) (1926)
{'key': '2023080400105155000_c3', 'first-page': '236', 'volume': '125', 'year': '1927', 'journal-title': 'Z. Phys. Chem. (Leipzig)'} / Z. Phys. Chem. (Leipzig) (1927)
10.1098/rsta.1897.0011 / Philos. Trans. R. Soc. London, Ser. A (1897)
10.1098/rspa.1928.0114 / Proc. R. Soc. London, Ser. A (1928)
10.1016/S0169-8095(97)00063-X / Atmos. Res. (1998)
10.1023/A:1004598332758 / J. Stat. Phys. (1999)
10.1243/0954406041474183 / Proc. Inst. Mech. Eng., Part C: J. Mech. Eng. Sci. (2004)
10.1063/1.1679052 / J. Chem. Phys. (1973)
10.1063/1.435950 / J. Chem. Phys. (1978)
10.1063/1.470000 / J. Chem. Phys. (1995)
10.1063/1.1322082 / J. Chem. Phys. (2000)
10.1063/1.1585020 / J. Chem. Phys. (2003)
10.1063/1.2698424 / J. Chem. Phys. (2007)
10.1080/08927020601178024 / Mol. Simul. (2007)
10.1103/PhysRevLett.94.018104 / Phys. Rev. Lett. (2005)
10.1103/PhysRevLett.97.105701 / Phys. Rev. Lett. (2006)
10.1063/1.1562614 / J. Chem. Phys. (2003)
10.1063/1.480964 / J. Chem. Phys. (2000)
10.1021/jp0464066 / J. Phys. Chem. B (2005)
10.1103/PhysRevLett.98.206104 / Phys. Rev. Lett. (2007)
10.1103/PhysRevLett.98.145702 / Phys. Rev. Lett. (2007)
10.1063/1.477509 / J. Chem. Phys. (1998)
10.1063/1.2074247 / J. Chem. Phys. (2005)
10.1063/1.1896345 / J. Chem. Phys. (2005)
10.1063/1.2162882 / J. Chem. Phys. (2006)
10.1140/epjd/e2006-00210-4 / Eur. Phys. J. D (2007)
10.1063/1.2803899 / J. Chem. Phys. (2007)
K. Iland, Ph.D. thesis, University of Cologne, 2004.
10.1088/0953-8984/4/38/001 / J. Phys.: Condens. Matter (1992)
10.1021/ar9702278 / Acc. Chem. Res. (1998)
10.1063/1.2186327 / J. Chem. Phys. (2006)
10.1063/1.460663 / J. Chem. Phys. (1990)
10.1103/PhysRevE.49.5517 / Phys. Rev. E (1994)
10.1002/andp.19354160806 / Ann. Phys. (1935)
{'key': '2023080400105155000_c36', 'first-page': '525', 'volume': '12', 'year': '1942', 'journal-title': 'Zh. Eksper. Teor. Fiz.'} / Zh. Eksper. Teor. Fiz. (1942)
10.1063/1.1748482 / J. Chem. Phys. (1951)
10.1080/00018736600101264 / Adv. Phys. (1966)
{'volume-title': 'Nucleation. Basic Theory with Applications', 'year': '2000', 'key': '2023080400105155000_c39'} / Nucleation. Basic Theory with Applications (2000)
{'volume-title': 'Nucleation Theory and Applications', 'year': '2005', 'key': '2023080400105155000_c40'} / Nucleation Theory and Applications (2005)
{'volume-title': 'Classical Nucleation Theory in Multicomponent Systems', 'year': '2006', 'key': '2023080400105155000_c41'} / Classical Nucleation Theory in Multicomponent Systems (2006)
10.1016/0079-6425(63)90018-5 / Prog. Mater. Sci. (1963)
{'key': '2023080400105155000_c43', 'first-page': '255', 'volume': '3', 'year': '1967', 'journal-title': 'Physics (Long Island City, N.Y.)'} / Physics (Long Island City, N.Y.) (1967)
10.1063/1.465756 / J. Chem. Phys. (1993)
10.1021/jp012542o / J. Phys. Chem. B (2001)
10.1021/jp012201a / J. Phys. Chem. B (2001)
10.1063/1.1471559 / J. Chem. Phys. (2002)
10.1016/S0370-1573(02)00583-5 / Phys. Rep. (2003)
10.1109/TVCG.2007.70614 / IEEE Trans. Vis. Comput. Graph. (2007)
10.1063/1.2786457 / J. Chem. Phys. (2007)
10.1063/1.1742067 / J. Chem. Phys. (1955)
10.1063/1.1776907 / J. Chem. Phys. (1963)
10.1007/3-540-35074-8_13 / High Performance Computing on Vector Systems (2006)
{'volume-title': 'The Boost Graph Library: User Guide and Reference Manual', 'year': '2001', 'key': '2023080400105155000_c54'} / The Boost Graph Library: User Guide and Reference Manual (2001)
10.1063/1.480530 / J. Chem. Phys. (2000)
10.1063/1.1872774 / J. Chem. Phys. (2005)
J. Wedekind, Ph.D. thesis, University of Cologne, 2006.

Dates

Type	When
Created	17 years, 4 months ago (April 23, 2008, 6:50 p.m.)
Deposited	2 years ago (Aug. 3, 2023, 8:11 p.m.)
Indexed	1 month ago (July 30, 2025, 6:50 a.m.)
Issued	17 years, 4 months ago (April 23, 2008)
Published	17 years, 4 months ago (April 23, 2008)
Published Online	17 years, 4 months ago (April 23, 2008)
Published Print	17 years, 4 months ago (April 28, 2008)

Funders 0

None

BibTeX

@article{Horsch_2008, title={Homogeneous nucleation in supersaturated vapors of methane, ethane, and carbon dioxide predicted by brute force molecular dynamics}, volume={128}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.2907849}, DOI={10.1063/1.2907849}, number={16}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Horsch, Martin and Vrabec, Jadran and Bernreuther, Martin and Grottel, Sebastian and Reina, Guido and Wix, Andrea and Schaber, Karlheinz and Hasse, Hans}, year={2008}, month=apr }

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