Phased behavior and induced interdigitation in bilayers studied with dissipative particle dynamics

Article Abstract:

The mesoscopic models of amphiphilic surfactants that are able to describe the complex phase behavior of phospholipids bilayers are studied. The models can be simulated very efficiently to study the bilayer properties as function of temperature and surfactant characteristics.

Dynamics of a particle, Particle dynamics

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N2 physisorption on carbon nanotubes: computer simulation and experimental results

Article Abstract:

Monte Carlo simulations, in a wide temperature range, are used to study nitrogen physical adsorption on nanotubes bundles. A hexagonal array is formed when the nanotubes are modeled by grouping them in bundles, and the local adsorption isotherms are calculated.

Industrial Gas Manufacturing, Industrial gases, Nitrogen, Thermal properties, Nanotubes

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Calculation of molecular configuration integrals

Article Abstract:

A method is presented for calculating the conformational free energy of a molecule in all degrees of freedom. The study reveals that the method using harmonic approximation with finite integration ranges along with Mode scanning gives excellent accuracy.

Integrals

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