In a recent paper the author has suggested a model which each lipid has more space available. This leads for a two-dimensional lipid bilayer in which both shortto an increase in the energy of the configuration. range repulsive forces and long-range attractive forces Because of the very large number of degrees of freeplay a role, and for which the equilibrium statistical dom the outcome of this ...

M. E. Zeynali [email protected] Petrochemical Synthesis Group, Petrochemical Faculty, Iran Polymer and Petrochemical Institute (IPPI), P. O. Box: 14965/115, Tehran, Iran, Abstract In this study the diffusion coefficients for reaction components were determined for unimodal and bimodal pore size distribution and assuming transitional diffusion regime using a more realistic, Stewart-Johnson, m...

Several methodologies published in the literature can be used to construct realistic pore networks for simple rocks, whereas in complex pore geometry formations, as formed in tight reservoirs, such a construction still remains a challenge. A basic understanding of pore structure and topology is essential to overcome the challenges associated with the pore scale modeling of tight porous media. A...

We study the structural and mechanical properties of nanoporous (NP) carbon materials by extensive atomistic machine-learning (ML) driven molecular dynamics (MD) simulations. To this end, we retrain a ML Gaussian approximation potential (GAP) for recalculating a-C database Deringer Csányi adding van der Waals interactions. Our GAP enables notable speedup improves accuracy energy force predictio...

Depth profiled positronium annihilation lifetime spectroscopy (PALS) has been used to probe the pore characteristics (size, distribution, and interconnectivity) in thin, porous films, including silica and organic-based films. The technique is sensitive to all pores (both interconnected and closed) in the size range from 0.3 nm to 300 nm, even in films buried under a diffusion barrier. PALS may ...

A mimetic porous carbon model is generated using quench molecular dynamics simulations that reproduces experimental radial distribution functions of activated carbon. The resulting structure is composed of curved and defected graphene sheets. The curvature is induced by nonhexagonal rings. The quench conditions are systematically varied and the final porous structure is scrutinized in terms of ...

in this work, sio2 –zro2 mixed oxides was prepared by the polymeric sol–gel route. the characterization of pore structure, which determines the permeation process of membrane, is of great importance. so far, most investigations have focused on such pore structure as specific surface area and pore size distribution, but the surface fractal, the important parameter reflecting the roughness of por...