TITLE:
The diffusion and concentration effects of formamide on a TiO2 surface in the presence of a water solvent
AUTHORS:
Ermuhammad Dushanov, Kholmirzo Kholmurodov, Kenji Yasuoka
KEYWORDS:
Molecular Dynamics Simulations; Formamide Molecule; Water Solvent; Diffusion Coefficient; Anatase Surface; RDF Graphs
JOURNAL NAME:
Natural Science,
Vol.4 No.5,
May
18,
2012
ABSTRACT: The formamide-titanium oxide interaction mechanism is a research target of great importance for understanding the elementary events of the origin of life: the synthesis of nucleoside bases and formation of biological molecules needed for life. Titanium oxide (TiO2) can act as a strongly adsorbing surface or a catalytic material. In the present study, a comparative molecular dynamics analysis performed to clarify the adsorbing and diffusion properties of liquid formamide on a TiO2 surface in the presence of water molecules. The structural features of the formamide concentration effect (the accumulation of molecules) on a TiO2 surface in the presence and absence of water solvent are cleared up. Modification of the formamide diffusion abilities mediated by a water solvent is observed to correlate with the formamide-water concentration distribution on the surface.