Thickness dependent penetrant gas transport properties and separation performance within ultrathin polysulfone membrane: Insights from atomistic molecular simulation

2017 ◽  
Vol 56 (2) ◽  
pp. 131-158 ◽  
Author(s):  
Serene Sow Mun Lock ◽  
Kok Keong Lau ◽  
Azmi Mohd Shariff ◽  
Yin Fong Yeong ◽  
Mohamad Azmi Bustam
Keyword(s):  
Transport Properties ◽  
Molecular Simulation ◽  
Gas Transport ◽  
Separation Performance ◽  
Polysulfone Membrane ◽  
Gas Transport Properties

scholarly journals A Molecular Simulation Study of Silica/Polysulfone Mixed Matrix Membrane for Mixed Gas Separation

Polymers ◽  
2021 ◽  
Vol 13 (13) ◽  
pp. 2199
Author(s):  
Khadija Asif ◽  
Serene Sow Mun Lock ◽  
Syed Ali Ammar Taqvi ◽  
Norwahyu Jusoh ◽  
Chung Loong Yiin ◽  
...  
Keyword(s):  
Transport Properties ◽  
Molecular Simulation ◽  
Gas Separation ◽  
Membrane Separation ◽  
Gas Transport ◽  
Mixed Matrix ◽  
Mixed Gas ◽  
Gas Transport Properties ◽  
Simulation Results ◽  
Mixed Gases

Polysulfone-based mixed matrix membranes (MMMs) incorporated with silica nanoparticles are a new generation material under ongoing research and development for gas separation. However, the attributes of a better-performing MMM cannot be precisely studied under experimental conditions. Thus, it requires an atomistic scale study to elucidate the separation performance of silica/polysulfone MMMs. As most of the research work and empirical models for gas transport properties have been limited to pure gas, a computational framework for molecular simulation is required to study the mixed gas transport properties in silica/polysulfone MMMs to reflect real membrane separation. In this work, Monte Carlo (MC) and molecular dynamics (MD) simulations were employed to study the solubility and diffusivity of CO2/CH4 with varying gas concentrations (i.e., 30% CO2/CH4, 50% CO2/CH4, and 70% CO2/CH4) and silica content (i.e., 15–30 wt.%). The accuracy of the simulated structures was validated with published literature, followed by the study of the gas transport properties at 308.15 K and 1 atm. Simulation results concluded an increase in the free volume with an increasing weight percentage of silica. It was also found that pure gas consistently exhibited higher gas transport properties when compared to mixed gas conditions. The results also showed a competitive gas transport performance for mixed gases, which is more apparent when CO2 increases. In this context, an increment in the permeation was observed for mixed gas with increasing gas concentrations (i.e., 70% CO2/CH4 > 50% CO2/CH4 > 30% CO2/CH4). The diffusivity, solubility, and permeability of the mixed gases were consistently increasing until 25 wt.%, followed by a decrease for 30 wt.% of silica. An empirical model based on a parallel resistance approach was developed by incorporating mathematical formulations for solubility and permeability. The model results were compared with simulation results to quantify the effect of mixed gas transport, which showed an 18% and 15% percentage error for the permeability and solubility, respectively, in comparison to the simulation data. This study provides a basis for future understanding of MMMs using molecular simulations and modeling techniques for mixed gas conditions that demonstrate real membrane separation.

scholarly journals Physical property and gas transport studies of ultrathin polysulfone membrane from 298.15 to 328.15 K and 2 to 50 bar: atomistic molecular simulation and empirical modelling

RSC Advances ◽  
2020 ◽  
Vol 10 (54) ◽  
pp. 32370-32392
Author(s):  
S. S. M. Lock ◽  
K. K. Lau ◽  
Norwahyu Jusoh ◽  
A. M. Shariff ◽  
Y. F. Yeong ◽  
...  
Keyword(s):  
Transport Properties ◽  
Molecular Simulation ◽  
Gas Transport ◽  
Physical Property ◽  
Operating Conditions ◽  
Polysulfone Membrane ◽  
Empirical Modelling ◽  
Transport Studies ◽  
Ultrathin Membranes

Pioneering work to elucidate and model the effect of operating conditions on physical and transport properties of ultrathin membranes.

scholarly journals Pebax-based composite membranes with high gas transport properties enhanced by ionic liquids for CO2 separation

RSC Advances ◽  
2017 ◽  
Vol 7 (11) ◽  
pp. 6422-6431 ◽  
Author(s):  
Mengdie Li ◽  
Xiangping Zhang ◽  
Shaojuan Zeng ◽  
Lu bai ◽  
Hongshuai Gao ◽  
...  
Keyword(s):  
Ionic Liquid ◽  
Ionic Liquids ◽  
Transport Properties ◽  
Gas Separation ◽  
Gas Transport ◽  
Composite Membranes ◽  
Co2 Separation ◽  
Separation Performance ◽  
Gas Transport Properties ◽  
Gas Separation Performance

A series of composite membranes with high gas transport properties enhanced by IL and ZIF-8 have been developed. The influence of ionic liquid and ZIF-8 addition on gas separation performance were systematically investigated.

Photo-oxidative PIM-1 based mixed matrix membranes with superior gas separation performance

2015 ◽  
Vol 3 (33) ◽  
pp. 17273-17281 ◽  
Author(s):  
Lin Hao ◽  
Kuo-Sung Liao ◽  
Tai-Shung Chung
Keyword(s):  
Transport Properties ◽  
Gas Separation ◽  
Gas Transport ◽  
Mixed Matrix Membranes ◽  
Separation Performance ◽  
Mixed Matrix ◽  
Gas Transport Properties ◽  
Gas Separation Performance ◽  
Matrix Membranes

Photo-oxidative PIM-1 incorporated with ZIF-71 form well-dispersed mixed-matrix membranes with enhanced gas transport properties. These membranes have impressive separation performance for CO2/CH4 and O2/N2.

scholarly journals ENHANCED BIOGAS (CO2/CH4) SEPARATION PERFORMANCE OF HYBRID MIXED MATRIX MEMBRANE BY INCORPORATING NANOSILICA PARTICLES INTO POLYETHERSULFONE

2017 ◽  
Vol 79 (7-2) ◽  
Author(s):  
Tutuk Djoko Kusworo ◽  
Budiyono Budiyono ◽  
Qudratun Qudratun
Keyword(s):  
Transport Properties ◽  
Gas Transport ◽  
Quantitative Result ◽  
Mixed Matrix Membrane ◽  
Inversion Method ◽  
Separation Performance ◽  
Mixed Matrix ◽  
Gas Transport Properties ◽  
Biogas Purification ◽  
Nanosilica Particles

This paper studies the gas transport properties of PES-nanosilica hybrid mixed matrix membrane for biogas purification. Problem statement: The hybrid mixed matrix membrane was produced to improve the membrane separation performance for biogas purification. The membrane was produced via dry-wet phase inversion method, in which the nanosilica was incorporated into polyethersulfone membranes and the prepared membrane was performed on biogas separation experimental test. Quantitative result: The SEM images analysis confirmed that nanosilica surface had taken important role in gas transport properties. Moreover, the nano-gaps (voids) between polymer and nanosilica particles were disappeared in the polyethersulfone hybrid mixed matrix membrane. The results revealed that the good nano-silica dispersion leads to enhance the properties of gas permeation up to 200% and slighly increased the selectivity about 0.9% of the nanosilica concentration 8 wt-%. Conclusion: It can be concluded that incorporation of nanosilicas particles into the matrix of polyethersulfone polymer significantly enhanced the membrane structure and separation properties.

The Effect of the Type and Concentration of the Crosslinking Diene on the Gas Transport Properties of Membranes Based on Polyoctylmethylsiloxane

2020 ◽  
Vol 2 (6) ◽  
pp. 399-406
Author(s):  
E. A. Grushevenko ◽  
I. L. Borisov ◽  
D. S. Bakhtin ◽  
V. V. Volkov ◽  
A. V. Volkov
Keyword(s):  
Transport Properties ◽  
Gas Transport ◽  
Gas Transport Properties
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