Modeling mass transport in dense polymer membranes: cooperative synergy among multiple scale approaches
Sign Up to like & getrecommendations! Published in 2020 at "Current opinion in chemical engineering"
DOI: 10.1016/j.coche.2020.01.004
Abstract: The modeling description of basic transport phenomena of either liquid, gas or vapor molecules in dense polymeric membranes is of tremendous impact for the separation industry, which relies on solid models for the design of… read more here.
Keywords: modeling mass; dense polymer; transport; mass transport ... See more keywords
PRISM Theory of Local Structure and Phase Behavior of Dense Polymer Nanocomposites: Improved Closure Approximation and Comparison with Simulation
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DOI: 10.1021/acs.macromol.0c02077
Abstract: We formulate a new closure approximation (triple-modified Verlet (MV)) for the polymer integral equation theory (PRISM) of microstructure and miscibility of dense polymer nanocomposites (PNC). Comp... read more here.
Keywords: polymer nanocomposites; dense polymer; closure approximation; prism ... See more keywords
Aqueous Nanoclusters Govern Ion Partitioning in Dense Polymer Membranes
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DOI: 10.1021/acsnano.9b04279
Abstract: The uptake and sorption of charged molecules by responsive polymer membranes and hydrogels in aqueous solutions is of key importance for the development of soft functional materials. Here, we investigate the partitioning of simple monatomic… read more here.
Keywords: aqueous nanoclusters; dense polymer; water; polymer ... See more keywords