Review and analysis of molecular simulations of methane, hydrogen, and acetylene storage in metal–organic frameworks
Gas adsorption in metalÀorganic frameworks (MOFs) has been one of the most actively
studied applications of this new and exciting class of materials. Applications of adsorption in …
studied applications of this new and exciting class of materials. Applications of adsorption in …
Simultaneous interlayer and intralayer space control in two-dimensional metal− organic frameworks for acetylene/ethylene separation
Three-dimensional metal− organic frameworks (MOFs) are cutting-edge materials in the
adsorptive removal of trace gases due to the availability of abundant pores with specific …
adsorptive removal of trace gases due to the availability of abundant pores with specific …
Structure and dynamics of confined COH fluids relevant to the subsurface: application of magnetic resonance, neutron scattering, and molecular dynamics simulations
Geo-fluids consisting of COH volatiles are the main mode of transport of mass and energy
throughout the lithosphere and are commonly found confined in pores, grain boundaries …
throughout the lithosphere and are commonly found confined in pores, grain boundaries …
New Microporous Materials for Acetylene Storage and C2H2/CO2 Separation: Insights from Molecular Simulations
M Fischer, F Hoffmann, M Fröba - ChemPhysChem, 2010 - Wiley Online Library
Force‐field based grand‐canonical Monte Carlo simulations are used to investigate the
acetylene and carbon dioxide uptake capacity, as well as the C2H2/CO2 adsorption …
acetylene and carbon dioxide uptake capacity, as well as the C2H2/CO2 adsorption …
Unexpected high CO2 over C2H2 separation performance by high-silica CHA zeolite membranes
Abstract Energy-efficient CO 2/C 2 H 2 separation by membranes is critical for producing
acetylene by partial combustion of natural gas. Separating CO 2 and C 2 H 2 by membranes …
acetylene by partial combustion of natural gas. Separating CO 2 and C 2 H 2 by membranes …
Effects of water on the stochastic motions of propane confined in MCM-41-S pores
Hydrocarbons confined in porous media find applications in a wide variety of industries and
therefore their diffusive behavior is widely studied. Most of the porous media found in natural …
therefore their diffusive behavior is widely studied. Most of the porous media found in natural …
Dynamics of propane in nanoporous silica aerogel: A quasielastic neutron scattering study
Molecular motion of hydrocarbons under confinement exhibits several peculiarities and has
important implications in industries like gas recovery. A quasielastic neutron scattering …
important implications in industries like gas recovery. A quasielastic neutron scattering …
[HTML][HTML] Structure and dynamics of ethane confined in silica nanopores in the presence of CO2
Fundamental understanding of the subcritical/supercritical behavior of key hydrocarbon
species inside nano-porous matrices at elevated pressure and temperature is less …
species inside nano-porous matrices at elevated pressure and temperature is less …
Molecular dynamics simulations of propane in slit shaped silica nano-pores: direct comparison with quasielastic neutron scattering experiments
Molecular motion under confinement has important implications for a variety of applications
including gas recovery and catalysis. Propane confined in mesoporous silica aerogel as …
including gas recovery and catalysis. Propane confined in mesoporous silica aerogel as …
Metal-and catalyst-free, one-pot, three-component synthesis of propargylamines in magnetized water: experimental aspects and molecular dynamics simulation
Magnetized water (MW), as a green-promoting medium, is applied for the one-pot, metal-
and catalyst-free, practical, efficient, and environmentally benign three-component reactions …
and catalyst-free, practical, efficient, and environmentally benign three-component reactions …