Comparison between methanol and formaldehyde adsorption on ice: a molecular dynamics study

Autor:	B. Collignon, Sylvain Picaud
Rok vydání:	2004
Předmět:	chemistry.chemical_compound Molecular dynamics Adsorption Chemistry Computational chemistry Formaldehyde General Physics and Astronomy Molecule Ice Ih Physical chemistry Methanol Physical and Theoretical Chemistry Saturation (chemistry)
Zdroj:	Chemical Physics Letters. 393:457-463
ISSN:	0009-2614
DOI:	10.1016/j.cplett.2004.06.085
Popis:	The adsorption characteristics of methanol and formaldehyde molecules on an ice Ih(0 0 0 1) proton disordered crystal surface are compared on the basis of classical molecular dynamics simulations at 210 and 250 K. More specifically, the saturation coverage, the configurations of the molecules in their adsorption sites and the corresponding adsorption energies have been determined.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::cd25704f5c8cfb0d6cd53ccf24e3a9c7 https://doi.org/10.1016/j.cplett.2004.06.085 Zobrazit plný text záznamu Full Text from ScienceDirect