Water-Induced interactions between carbon nanoparticles

Article Abstract:

Molecular dynamics simulations were carried out to study the hydration of [C.sub.60] fullerenes, carbon nanotunes, and graphene sheets in aqueous solution and the nature of water-induced interactions between these carbon nanoparticles. The hydration of these nonpolar carbon nanoparticles does not exhibit classical hydrophobic character due to the high density of surface atoms resulting in strong water-surface disperse interactions.

Science & research, Molecular dynamics, Carbon compounds, Aqueous solution reactions, Chemical properties, Fullerenes

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Molecular dynamics simulations of 1,2-dimethoxypropane and 1,2-dimethoxyethane aqueous solution

Article Abstract:

Issues concerning a comparison of the conformational, thermodynamic and structural properties of simulations of 1,2-dimethoxypropane and 1,2-dimethoxyethane aqueous solutions are discussed.

Research and Development in the Physical, Engineering, and Life Sciences, Chemistry, Analysis, Chemical research, Chemistry, Physical and theoretical, Physical chemistry

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