geoscience.net logo
+ Resolve Article
+ Follow Us
Follow on FacebookFollow on Facebook
Follow on TwitterFollow on Twitter

+ Translate
+ Subscribe to Site Feed
GeoScience Most Shared ContentMost Shared Content

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. Journal of Chemical Physics 128(16): 164510-164510

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 10(6) particles were conducted with a massively parallel MD program. This leads to reliable statistics and makes nucleation rates down to the order of 10(30) m(-3) s(-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.

US$19.90

PMID: 18447462

DOI: 10.1063/1.2907849


Other references

Prabhakaran, J.; Underwood, M.D.; Parsey, R.V.; Arango, V.; Majo, V.J.; Simpson, N.R.; Van Heertum, R.; Mann, J.John.; Kumar, J.S.Dileep., 2006: Synthesis and in vivo evaluation of [18F]-4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide as a PET imaging probe for COX-2 expression. Synthesis of [F-18]4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide ([F-18]celecoxib), a selective COX-2 inhibitor, is achieved via a bromide to [F-18]F- exchange reaction. Synthesis of the precursor for radiolabeling...

Loshenfel'd, R.A.; Siziakina, L.P., 1976: Characteristics of experimental allergic lesions of the ovaries and uterus (pathomorphologic study). Akusherstvo i Ginekologiia: 55-57

Griegel S.; Heise K.; Kindler Roehrborn A.; Rajewsky M.F., 1990: In vitro differentiation of human retinoblastoma cells into neuronal phenotypes. In order to characterize the cell type(s) of origin of human retinoblastoma cells by immunophenotyping, primary cells from seven retinoblastomas and of the corresponding cell lines (RBL lines), as well as four retinoblastoma (RB) lines established...

Daume E.; Sturm G.; Guntermann R.; Schulze U., 1973: Response of the pituitary gland to stimulation with luteinizing hormone releasing hormone in women with amenorrhea after cessation of contraceptive treatment. Acta Endocrinologica Supplementum 177: 356

Gawor Biedowa Eugenia, 1972: 12th European Micropaleontological Colloquium held in the USSR. Przeglad Geologiczny: ages 528-530. 1972.

Hăulică, A.; Ababei, L., 1971: Changes in intermediate metabolism in experimental chronic hypoxia. Fiziologia Normala Si Patologica 17(1): 77-84

M.R.Cek.P. Štípská; R.P.Well, 2008: Garnet-clinopyroxene intermediate granulites in the St. Leonhard Massif of the Bohemian Massif; ultrahigh-temperature metamorphism at high pressure or not?. Journal of Metamorphic Geology 26(2): 253-271

Anonymous, 1942: Fifty-second Annual Report for the fiscal year ended 30th June, 1942. In the section of this report dealing with plant pathology (pp. 65-75), the following items are of special interest, apart from others already noted. C. S. Holton confirmed the identity of the five new races of wheat smut (Til-letia tritici and T....

S.J.an, P.L.; Zhang, X.C.; Hart, B.K.; Ferrell, R.E., 1994: Dinucleotide repeat polymorphism at the HPR locus. Human Molecular Genetics 3(11): 2081-2081

Sitbon F.; Sundberg B.; Hennion S.; Little C.H.A.; Olsson O.; Sandberg G., 1991: Transgenic nicotiana tabacum plants overproducing iaa display abnormal growth and development. Physiologia Plantarum 82(3): B24