نتایج جستجو برای: single gas permeation

تعداد نتایج: 1109199  

Journal: :Handbook of experimental pharmacology 2009
Jochen S Hub Helmut Grubmüller Bert L de Groot

Aquaporins (AQPs) are a family of integral membrane proteins, which facilitate the rapid and yet highly selective flux of water and other small solutes across biological membranes. Molecular dynamics (MD) simulations contributed substantially to the understanding of the molecular mechanisms that underlie this remarkable efficiency and selectivity of aquaporin channels. This chapter reviews the ...

Journal: :ACS applied materials & interfaces 2012
Joshua Schrier

Carbon dioxide gas separation is important for many environmental and energy applications. Molecular dynamics simulations are used to characterize a two-dimensional hydrocarbon polymer, PG-ES1, that uses a combination of surface adsorption and narrow pores to separate carbon dioxide from nitrogen, oxygen, and methane gases. The CO2 permeance is 3 × 10(5) gas permeation units (GPU). The CO2/N2 s...

Journal: :Chemical science 2017
Christopher G Morris Nicholas M Jacques Harry G W Godfrey Tamoghna Mitra Detlev Fritsch Zhenzhong Lu Claire A Murray Jonathan Potter Tom M Cobb Fajin Yuan Chiu C Tang Sihai Yang Martin Schröder

The identification of preferred binding domains within a host structure provides important insights into the function of materials. State-of-the-art reports mostly focus on crystallographic studies of empty and single component guest-loaded host structures to determine the location of guests. However, measurements of material properties (e.g., adsorption and breakthrough of substrates) are usua...

2017
Christopher G. Morris Nicholas M. Jacques Harry G. W. Godfrey Tamoghna Mitra Detlev Fritsch Zhenzhong Lu Claire A. Murray Jonathan Potter Tom M. Cobb Fajin Yuan Chiu C. Tang Sihai Yang Martin Schröder

The identification of preferred binding domains within a host structure provides important insights into the function of materials. State-of-the-art reports mostly focus on crystallographic studies of empty and single component guest-loaded host structures to determine the location of guests. However, measurements of material properties (e.g., adsorption and breakthrough of substrates) are usua...

Journal: :Physical chemistry chemical physics : PCCP 2013
Weijie Fang Zhonglin Luo Jianwen Jiang

We report the first atomistic simulation study to characterize poly(ionic liquid) (PIL) membranes and examine their capability for post-combustion CO(2) capture. Four PILs based on 1-vinyl-3-butylimidazolium ([VBIM](+)) are examined with four different anions, namely bis(trifluoromethylsulfonyl)imide ([TF(2)N](-)), thiocyanate ([SCN](-)), hexafluorophosphate ([PF(6)](-)) and chloride ([Cl](-))....

Journal: :The Journal of chemical physics 2005
W Jia S Murad

Gas separation efficiencies of three zeolite membranes (Faujasite, MFI, and Chabazite) have been examined using the method of molecular dynamics. Our investigation has allowed us to study the effects of pore size and structure, state conditions, and compositions on the permeation of two binary gas mixtures, O(2)N(2) and CO(2)N(2). We have found that for the mixture components with similar sizes...

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