Molecular separation with organic solvent nanofiltration: a critical review
P Marchetti, MF Jimenez Solomon, G Szekely… - Chemical …, 2014 - ACS Publications
Separation processes play a remarkable role in the chemical and pharmaceutical industries,
where they account for 40− 70% of both capital and operating costs. 1 Organic syntheses in …
where they account for 40− 70% of both capital and operating costs. 1 Organic syntheses in …
Mind the Gap: The Role of Mass Transfer in Shaped Nanoporous Adsorbents for Carbon Dioxide Capture
Adsorptive separations by nanoporous materials are major industrial processes. The
industrial importance of solid adsorbents is only expected to grow due to the increased focus …
industrial importance of solid adsorbents is only expected to grow due to the increased focus …
Molecular dynamics study on water desalination through functionalized nanoporous graphene
Molecular dynamics simulations were employed to investigate water desalination through
functionalized nanoporous graphene membranes. Six graphene membranes were …
functionalized nanoporous graphene membranes. Six graphene membranes were …
Abnormal CO2 and H2O Diffusion in CALF-20(Zn) Metal–Organic Framework: Fundamental Understanding of CO2 Capture
Carbon mitigation is one challenging issue that the world is facing. To tackle the deleterious
impacts of CO2, processes emerged, including chemisorption from amine-based solvents …
impacts of CO2, processes emerged, including chemisorption from amine-based solvents …
Transport of multicomponent hydrocarbon mixtures in shale organic matter by molecular simulations
During the past decade, gas recovered from shale reservoirs has jumped from 2 to 40% of
natural gas production in the United States. However, in response to the drop of gas prices …
natural gas production in the United States. However, in response to the drop of gas prices …
ls1 mardyn: The Massively Parallel Molecular Dynamics Code for Large Systems
C Niethammer, S Becker, M Bernreuther… - Journal of chemical …, 2014 - ACS Publications
The molecular dynamics simulation code ls1 mardyn is presented. It is a highly scalable
code, optimized for massively parallel execution on supercomputing architectures and …
code, optimized for massively parallel execution on supercomputing architectures and …
Diffusivity of CO2 in H2O: A Review of Experimental Studies and Molecular Simulations in the Bulk and in Confinement
An in-depth review of the available experimental and molecular simulation studies of CO2
diffusion in H2O, which is a central property in important industrial and environmental …
diffusion in H2O, which is a central property in important industrial and environmental …
Slip length of methane flow under shale reservoir conditions: Effect of pore size and pressure
The conventional hydrodynamic equations (Navier-Stokes, Hagen-Poiseuille equations and
Darcy's law) are no longer applicable in shale gas recovery due to strong surface adsorption …
Darcy's law) are no longer applicable in shale gas recovery due to strong surface adsorption …
Optimizing water transport through graphene-based membranes: insights from nonequilibrium molecular dynamics
Recent experimental results suggest that stacked layers of graphene oxide exhibit strong
selective permeability to water. To construe this observation, the transport mechanism of …
selective permeability to water. To construe this observation, the transport mechanism of …
Non-equilibrium modeling of concentration-driven processes with constant chemical potential molecular dynamics simulations
Conspectus Concentration-driven processes in solution, ie, phenomena that are sustained
by persistent concentration gradients, such as crystallization and surface adsorption, are …
by persistent concentration gradients, such as crystallization and surface adsorption, are …