Molecular simulations of zeolites: adsorption, diffusion, and shape selectivity.
about
Recent progress in the development of solid catalysts for biomass conversion into high value-added chemicalsMaterials and transducers toward selective wireless gas sensing.Navigating molecular worms inside chemical labyrinthsModelling the adsorption of short alkanes in protonated chabazite: The impact of dispersion forces and temperatureSubcontinuum mass transport of condensed hydrocarbons in nanoporous media.Systems-level modeling with molecular resolution elucidates the rate-limiting mechanisms of cellulose decomposition by cellobiohydrolasesThe Eighth Industrial Fluids Properties Simulation ChallengeUnraveling the reaction mechanisms governing methanol-to-olefins catalysis by theory and experiment.Exploiting Large-Pore Metal-Organic Frameworks for Separations through Entropic Molecular Mechanisms.Modeling adsorption properties of structurally deformed metal-organic frameworks using structure-property map.Quasi-chemical approximation for polyatomic mixtures.The role of molecular modeling in confined systems: impact and prospects.A potential with low point charges for pure siliceous zeolites.Predicting Product Distribution of Propene Dimerization in Nanoporous Materials.Probing Zeolite Crystal Architecture and Structural Imperfections using Differently Sized Fluorescent Organic Probe Molecules.Influence of adsorption thermodynamics on guest diffusivities in nanoporous crystalline materials.Saturation properties of a supercritical gas sorbed in nanoporous materials.Levitation effect in zeolites: Quasielastic neutron scattering and molecular dynamics study of pentane isomers in zeolite NaY.A parallelizable block cellular automaton for the study of diffusion of binary mixtures containing CO2 in microporous materials.New materials for methane capture from dilute and medium-concentration sources.Simulating the properties of small pore silica zeolites using interatomic potentials.Molecular dynamics simulations of longer n-alkanes in silicalite: a comparison of framework and hydrocarbon models.Fractional statistics description applied to adsorption of alkane binary mixtures in zeolites.Understanding CO2 dynamics in metal-organic frameworks with open metal sites.Modeling high-temperature diffusion of gases in micro and mesoporous amorphous carbon.Diffusion in confinement: kinetic simulations of self- and collective diffusion behavior of adsorbed gases.Molecular separations with breathing metal-organic frameworks: modelling packed bed adsorbers.The adsorption of a mixture of particles with non-additive interactions: a Monte Carlo study.Subdiffusion-absorption process in a system consisting of two different media.Graphene Oxide Facilitates Solvent-Free Synthesis of Well-Dispersed, Faceted Zeolite Crystals.The crossover from single file to Fickian diffusion.Computational Design of Functionalized Metal-Organic Framework Nodes for Catalysis.Diffusion of interacting particles in discrete geometries: Equilibrium and dynamical properties.A coarse-grained method based on the analysis of short molecular dynamics trajectories for the simulation of non-Markovian dynamics of molecules adsorbed in microporous materials.Elucidating the effects of adsorbent flexibility on fluid adsorption using simple models and flat-histogram sampling methods.Information-theoretic tools for parametrized coarse-graining of non-equilibrium extended systems.Speeding up simulation of diffusion in zeolites by a parallel synchronous kinetic Monte Carlo algorithm.Fast diffusion of water nanodroplets on graphene.In silico screening of metal-organic frameworks in separation applications.Recent advances in the computational chemistry of soft porous crystals.
P2860
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P2860
Molecular simulations of zeolites: adsorption, diffusion, and shape selectivity.
description
2008 nî lūn-bûn
@nan
2008年の論文
@ja
2008年学术文章
@wuu
2008年学术文章
@zh
2008年学术文章
@zh-cn
2008年学术文章
@zh-hans
2008年学术文章
@zh-my
2008年学术文章
@zh-sg
2008年學術文章
@yue
2008年學術文章
@zh-hant
name
Molecular simulations of zeolites: adsorption, diffusion, and shape selectivity.
@en
Molecular simulations of zeolites: adsorption, diffusion, and shape selectivity.
@nl
type
label
Molecular simulations of zeolites: adsorption, diffusion, and shape selectivity.
@en
Molecular simulations of zeolites: adsorption, diffusion, and shape selectivity.
@nl
prefLabel
Molecular simulations of zeolites: adsorption, diffusion, and shape selectivity.
@en
Molecular simulations of zeolites: adsorption, diffusion, and shape selectivity.
@nl
P356
P1433
P1476
Molecular simulations of zeolites: adsorption, diffusion, and shape selectivity.
@en
P2093
Theo L M Maesen
P304
P356
10.1021/CR8002642
P50
P577
2008-09-25T00:00:00Z