TY - JOUR SP - 456 PB - Springer Verlag AV - none ID - scholars9189 EP - 471 N2 - Existing reports of gas transport properties within polymeric membrane as a direct consequence of operating temperature are in a small number and have arrived in diverging conclusion. The scarcity has been associated to challenges in fabricating defect free membranes and empirical investigations of gas permeation performance at the laboratory scale that are often time consuming and costly. Molecular simulation has been proposed as a feasible alternative of experimentally studied materials to provide insights into gas transport characteristic. Hence, a sequence of molecular modelling procedures has been proposed to simulate polymeric membranes at varying operating temperatures in order to elucidate its effect to gas transport behaviour. The simulation model has been validated with experimental data through satisfactory agreement. Solubility has shown a decrement in value when increased in temperature (an average factor of 1.78), while the opposite has been observed for gas diffusivity (an average factor of 1.32) when the temperature is increased from 298.15Ã? K to 323.15Ã? K. In addition, it is found that permeability decreases by 1.36 times as the temperature is increased. © Springer Nature Singapore Pte Ltd. 2017. SN - 18650929 KW - Electron transport properties; Gases; Membranes; Molecular structure; Polymeric membranes; Polymers; Temperature; Transport properties KW - Defect-free membranes; Empirical investigation; Feasible alternatives; Gas diffusivity; Gas transport properties; Molecular simulations; Operating temperature; Simulation model KW - Gas permeable membranes TI - Elucidation on the effect of operating temperature to the transport properties of polymeric membrane using molecular simulation tool VL - 752 JF - Communications in Computer and Information Science A1 - Lock, S.S.M. A1 - Lau, K.K. A1 - Mashâ??al, A.-A.B. A1 - Shariff, A.M. A1 - Yeong, Y.F. A1 - Mei, I.L.S. A1 - Ahmad, F. N1 - cited By 2; Conference of 17th International Conference on Asia Simulation, AsiaSim 2017 ; Conference Date: 27 August 2017 Through 29 August 2017; Conference Code:197069 UR - https://www.scopus.com/inward/record.uri?eid=2-s2.0-85029350611&doi=10.1007%2f978-981-10-6502-6_40&partnerID=40&md5=fe686ddd903bee84e7a2a61d3117414f Y1 - 2017/// ER -