Elucidation on the Effect of Operating Temperature to the Transport Properties of Polymeric Membrane Using Molecular Simulation Tool

Serene Sow Mu Lock, Kok Keon Lau, Al-Ameerah Bint Mash’al, Azmi Muhamma Shariff, Yin Fon Yeong, Irene Lock So Mei, Faizan Ahmad

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Abstract

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 298.15Â K to 323.15Â K. In addition, it is found that permeability decreases by 1.36 times as the temperature is increased.
Original languageEnglish
Title of host publicationCommunications in Computer and Information Science
EditorsM. Mohamed Ali, H. Wahid, N. Mohd Subha, S. Sahlan, M. Yunus, A. Wahap
PublisherSpringer Nature
Pages-
Volume752
ISBN (Electronic)9789811065026
Publication statusPublished - 29 Aug 2017
Event17th International Conference on Asia Simulation - Melaka, Malaysia
Duration: 27 Aug 201729 Aug 2017

Conference

Conference17th International Conference on Asia Simulation
Abbreviated titleAsiaSim 2017
CountryMalaysia
CityMelaka
Period27/08/1729/08/17

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    Lock, S. S. M., Lau, K. K., Mash’al, A-A. B., Shariff, A. M., Yeong, Y. F., Mei, I. L. S., & Ahmad, F. (2017). Elucidation on the Effect of Operating Temperature to the Transport Properties of Polymeric Membrane Using Molecular Simulation Tool. In M. Mohamed Ali, H. Wahid, N. Mohd Subha, S. Sahlan, M. Yunus, & A. Wahap (Eds.), Communications in Computer and Information Science (Vol. 752, pp. -). Springer Nature. http://hdl.handle.net/10149/621444