Molecular models for the intercalation of methane complexes ion montmorilonite clay

Article Abstract:

A study is conducted to determine the structure and behavior of methane and H2O in the interlayer of various montmorillonite clays with the help of molecular simulations. The conclusion states that methane molecules maintain an association of H2O within the interlayer resulting in a dynamic network of hydrogen bonding among H2O and methane molecules extending from one side of the interlayer to the other.

Methods, Methane, Hydrogen bonding, Hydrogen bonds

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Origin of the dynamic transition upon pressurization of cyrstalline proteins

Article Abstract:

A study conducted about the role of hydration water in the dynamic transition of low-hydrated proteins upon pressurization is presented. The dynamic transition of protein occurs when the spanning water network exists with the probability of about 50% and hydration water shows large density fluctuations.

Science & research, Research, Proteins, Protein structure, Thermodynamics, Hydration (Chemistry)

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Vibrational spectra of methane clathrate hydrates from molecular dynamics simulation

Article Abstract:

Vibrational spectra of methane clathrate hydrates were computed by molecular dynamics simulations. It was found that the symmetric C-H stretch of methane in small cages occurs at a higher frequency than for methane located in the large cages.

Molecular dynamics, Properties, Vibrational spectra, Methane hydrate

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