The IR spectra of thin films a mixture carbon dioxide and water were obtained using the physical vapor deposition method. They researched in temperature range 11–180 K. Based on results research; formation hydrates clathrates was investigated. Several methods used course this research. These are mass spectroscopy, optical analysis formed. Not only molecular composition but also state structure ...

We report molecular simulation studies of the diffusion processes in ice and CO2 clathrate hydrates performed using classical potential models of water ~SPC/E! and carbon dioxide ~EPM2!. The diffusivity of H2O in ice is calculated to be 1.3310 218 m s at 200 K using molecular dynamics simulations, a result in good agreement with experimental data. We also computed the diffusivity of H2O and CO2...

The clathrate hydrates occur in various types in which the number, size, and shape of the various cages differ. Usually the clathrate type of a specific guest is predicted by the size and shape of the molecular guest. We have developed a methodology to determine the clathrate type employing molecular mechanics with the MMFF force field employing a strategy to calculate the energy of formation o...

Introduction: Clathrate hydrates are inclusion compounds, with an ice-like structure that consists in an arrangement of ice cages in which guest gas molecules are trapped individually. These structures are stabilized by van der Waals interactions between the gas and the cages [e.g. 1]. Their potential ubiquitous occurence in the Solar System [e.g. 2] has strong implications in various domains: ...