Concentration gradient driven molecular dynamics: a new method for simulations of membrane permeation and separation

ZIF-8 Membranes via Interfacial Microfluidic Processing in Polymeric Hollow Fibers: Efficient Propylene Separation at Elevated Pressures

(2016) Kiwon Eum et al.   ACS Applied Materials & Interfaces

Seawater Pervaporation through Zeolitic Imidazolate Framework Membranes: Atomistic Simulation Study

(2016) Krishna M. Gupta et al.   ACS Applied Materials & Interfaces

Energy recovery by PRO in sea water desalination plant

(2016) Hideyuki Sakai et al.   DESALINATION

Dynamics of water and solute transport in polymeric reverse osmosis membranes via molecular dynamics simulations

(2016) Meng Shen et al.   JOURNAL OF MEMBRANE SCIENCE

Seven chemical separations to change the world

(2016) David S. Sholl et al.   NATURE

Geothermal source potential for water desalination – Current status and future perspective

(2016) Veera Gnaneswar Gude   RENEWABLE & SUSTAINABLE ENERGY REVIEWS

Molecular dynamic simulations of pressure-driven water transport through polyamide nanofiltration membranes at different membrane densities

(2016) Luying Wang et al.   RSC Advances

On the structure and rejection of ions by a polyamide membrane in pressure-driven molecular dynamics simulations

(2015) Minxia Ding et al.   DESALINATION

Molecular dynamics simulations of solutions at constant chemical potential

(2015) C. Perego et al.   JOURNAL OF CHEMICAL PHYSICS

ZIF-8/PDMS mixed matrix membranes for propane/nitrogen mixture separation: Experimental result and permeation model validation

(2015) Manquan Fang et al.   JOURNAL OF MEMBRANE SCIENCE

Molecular Simulation Studies of the Diffusion of Methane, Ethane, Propane, and Propylene in ZIF-8

(2015) Panagiotis Krokidas et al.   Journal of Physical Chemistry C

Water Desalination through Zeolitic Imidazolate Framework Membranes: Significant Role of Functional Groups

(2015) Krishna M. Gupta et al.   LANGMUIR

A simple method for the simulation of steady-state diffusion through membranes: pressure-tuned, boundary-driven molecular dynamics

(2015) Zoltán Ható et al.   MOLECULAR SIMULATION

RASPA: molecular simulation software for adsorption and diffusion in flexible nanoporous materials

(2015) David Dubbeldam et al.   MOLECULAR SIMULATION

Metal–organic framework membranes: from synthesis to separation application

(2014) Shilun Qiu et al.   CHEMICAL SOCIETY REVIEWS

Precise and Ultrafast Molecular Sieving Through Graphene Oxide Membranes

(2014) R. K. Joshi et al.   SCIENCE

Membrane-based ethylene/ethane separation: The upper bound and beyond

(2013) Meha Rungta et al.   AICHE JOURNAL

PLUMED 2: New feathers for an old bird

(2013) Gareth A. Tribello et al.   COMPUTER PHYSICS COMMUNICATIONS

Nonequilibrium molecular dynamics simulation of pressure-driven water transport through modified CNT membranes

(2013) Luying Wang et al.   JOURNAL OF CHEMICAL PHYSICS

Molecular dynamics simulations of metal-organic frameworks as membranes for gas mixtures separation

(2012) Fredy A. Cabrales-Navarro et al.   JOURNAL OF MEMBRANE SCIENCE

Sharp separation of C2/C3 hydrocarbon mixtures by zeolitic imidazolate framework-8 (ZIF-8) membranes synthesized in aqueous solutions

(2011) Yichang Pan et al.   CHEMICAL COMMUNICATIONS

Zeolitic imidazolate framework-8 as a reverse osmosis membrane for water desalination: Insight from molecular simulation

(2011) Zhongqiao Hu et al.   JOURNAL OF CHEMICAL PHYSICS

Transport diffusivities of fluids in nanopores by non-equilibrium molecular dynamics simulation

(2011) Hendrik Frentrup et al.   MOLECULAR SIMULATION

Novel MOF-Membrane for Molecular Sieving Predicted by IR-Diffusion Studies and Molecular Modeling

(2010) Helge Bux et al.   ADVANCED MATERIALS

Ethene/ethane separation by the MOF membrane ZIF-8: Molecular correlation of permeation, adsorption, diffusion

(2010) Helge Bux et al.   JOURNAL OF MEMBRANE SCIENCE

Membrane Gas Separation: A Review/State of the Art

(2009) P. Bernardo et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH