Molecular modeling investigations of sorption and diffusion of small molecules in Glassy polymers
N Vergadou, DN Theodorou - Membranes, 2019 - mdpi.com
With a wide range of applications, from energy and environmental engineering, such as in
gas separations and water purification, to biomedical engineering and packaging, glassy …
gas separations and water purification, to biomedical engineering and packaging, glassy …
A systematic review of the molecular simulation of hybrid membranes for performance enhancements and contaminant removals
Abstract Number of research on molecular simulation and design has emerged recently but
there is currently a lack of review to present these studies in an organized manner to …
there is currently a lack of review to present these studies in an organized manner to …
Screening of Metal Oxides and Hydroxides for Arsenic Removal from Water Using Molecular Dynamics Simulations
Arsenic in groundwater is a harmful and hazardous substance that must be removed to
protect human health and safety. Adsorption, particularly using metal oxides, is a cost …
protect human health and safety. Adsorption, particularly using metal oxides, is a cost …
Sorption‐induced polymer rearrangement: approaches from molecular modeling
DM Anstine, CM Colina - Polymer International, 2021 - Wiley Online Library
With the growing need for chemical separation and chemical storage solutions, polymeric
adsorbents have emerged as a promising class of candidate materials because of their …
adsorbents have emerged as a promising class of candidate materials because of their …
An atomistic simulation towards molecular design of silica polymorphs nanoparticles in polysulfone based mixed matrix membranes for CO2/CH4 gas separation
Incorporation of inorganic fillers into Polysulfone (PSF) to constitute mixed matrix
membranes (MMMs) has become a viable solution to prevail over limitations of the pristine …
membranes (MMMs) has become a viable solution to prevail over limitations of the pristine …
The evolution of the thermodynamic property of graphene oxide nanofiber coated poly (vinyl alcohol) resin surface by the molecular dynamic simulations
Y Wang, W Wang, S Zhu, G Yang, Z Zhang… - Journal of Molecular …, 2020 - Elsevier
A series of 3D models of graphene oxide (GO) nanofibers coated poly (vinyl alcohol)(PVA)
composites (GO-C-PVA) were structured and their thermodynamic properties were studied …
composites (GO-C-PVA) were structured and their thermodynamic properties were studied …
Mathematical modelling of thickness and temperature dependent physical aging to O 2/N 2 gas separation in polymeric membranes
Polymeric membranes are glassy materials at non-equilibrium state and inherently undergo
a spontaneous evolution towards equilibrium known as physical aging. Volume relaxation …
a spontaneous evolution towards equilibrium known as physical aging. Volume relaxation …
Biomethane generation from biogas upgrading by means of thin-film composite membrane comprising Linde T and fluorinated polyimide: optimization of fabrication …
Generation of biogas from organic substances is an attractive evolution of energy generation
from fossil-based energy supply to renewable resources. In order to exhibit viability in terms …
from fossil-based energy supply to renewable resources. In order to exhibit viability in terms …
Process simulation and optimization of oxygen enriched combustion using thin polymeric membranes: effect of thickness and temperature dependent physical aging
BACKGROUND Limited work has been available to model thickness and temperature
dependent physical aging encountered in polymeric membranes for gas separation to …
dependent physical aging encountered in polymeric membranes for gas separation to …
[HTML][HTML] Experimental Study of CO2 Plasticization in Polysulfone Membrane for Biogas Processing
Polymeric membranes have emerged for biogas processing to remove CO2 from CH4.
Nonetheless, it is also acknowledged that polymeric membranes have the tendency to sorb …
Nonetheless, it is also acknowledged that polymeric membranes have the tendency to sorb …