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

Lock, Serene Sow Mun; Lau, Kok Keong; Mash’al, Al-Ameerah Binti; Shariff, Azmi Mohd; Yeong, Yin Fong; Mei, Irene Lock Sow; Ahmad, Faizan

doi:10.1007/978-981-10-6502-6_40

Cited by 2 publications

(3 citation statements)

References 41 publications

(57 reference statements)

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“…The analogous trend in CO 2 sorption in PHB/PLA blend films is in good conformity with earlier published papers [87][88][89]. The good accordance is found to be related to the critical temperature of the gas penetrants, whereby CO 2 with a critical temperature of 304.15 K is highly condensable within the polymeric matrix in comparison to oxygen (154.55 K) and, subsequently, nitrogen (126.2 K) [90,91]. Solubility always favors those of higher critical temperature since it indicates tendency in gas penetrants to condense within the polymer.…”

Section: Isothermal Permeabilitysupporting

confidence: 90%

Gas Transport Phenomena and Polymer Dynamics in PHB/PLA Blend Films as Potential Packaging Materials

et al. 2020

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Actually, in order to replace traditional fossil-based polymers, many efforts are devoted to the design and development of new and high-performance bioplastics materials. Poly(hydroxy alkanoates) (PHAS) as well as polylactides are the main candidates as naturally derived polymers. The intention of the present study is to manufacture fully bio-based blends based on two polyesters: poly (3-hydroxybutyrate) (PHB) and polylactic acid (PLA) as real competitors that could be used to replace petrol polymers in packaging industry. Blends in the shape of films have been prepared by chloroform solvent cast solution methodology, at different PHB/PLA ratios: 1/0, 1/9, 3/7, 5/5, 0/1. A series of dynamic explorations have been performed in order to characterize them from a different point of view. Gas permeability to N2, O2, and CO2 gases and probe (TEMPO) electron spin resonance (ESR) analyses were performed. Blend surface morphology has been evaluated by Scanning Electron Microscopy (SEM) while their thermal behavior was analyzed by Differential Scanning Calorimetry (DSC) technique. Special attention was devoted to color and transparency estimation. Both probe rotation mobility and N2, O2, and CO2 permeation have monotonically decreased during the transition from PLA to PHB, for all contents of bio-blends, namely because of transferring from PLA with lower crystallinity to PHB with a higher one. Consequently, the role of the crystallinity was elucidated. The temperature dependences for CO2 permeability and diffusivity as well as for probe correlation time allowed the authors to evaluate the activation energy of both processes. The values of gas transport energy activation and TEMPO rotation mobility are substantially close to each other, which should testify that polymer segmental mobility determines the gas permeability modality.

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Section: Isothermal Permeabilitysupporting

confidence: 90%

Gas Transport Phenomena and Polymer Dynamics in PHB/PLA Blend Films as Potential Packaging Materials

et al. 2020

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“…S2 (45 °C and 55 °C) in Supporting Information for gas oxygen and nitrogen respectively, it is found to be greater at higher operating temperature. The enhancement in gas permeance can be attributed to higher energetic state of the polymeric chains that overcomes intrachain bonding between molecules, subsequently forming pathway of bigger cavity sizes that promotes transport property . In addition, the increment can be also deduced through greater energetic nature at higher operating temperature that enables gas molecules to perform longer diffusion jump among the void spaces, further promoting the gas permeance as an end result .…”

Section: Resultsmentioning

confidence: 99%

“…The enhancement in gas permeance can be attributed to higher energetic state of the polymeric chains that overcomes intrachain bonding between molecules, subsequently forming pathway of bigger cavity sizes that promotes transport property . In addition, the increment can be also deduced through greater energetic nature at higher operating temperature that enables gas molecules to perform longer diffusion jump among the void spaces, further promoting the gas permeance as an end result . The increment in operating temperature also enhances the superiority of gas permeance in thin polymeric film as compared to its bulk counterpart due to its higher free space and bigger energy for mobility of gas molecules.…”

Section: Resultsmentioning

confidence: 99%

Process simulation and optimization of oxygen enriched combustion using thin polymeric membranes: effect of thickness and temperature dependent physical aging

Lock

Lau

Shariff

et al. 2019

J of Chemical Tech & Biotech

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BACKGROUND Limited work has been available to model thickness and temperature dependent physical aging encountered in polymeric membranes for gas separation to provide physically intuitive interpretation underlying the process. The Tait equation of states has been integrated within conventional dual mode mathematical model to characterize the physical aging mechanism, whereby the model requires merely temperature dependent parameters. Subsequently, the Tait‐dual mode mechanism model has been incorporated within a succession of states methodology that quantifies transport mechanism in a countercurrent hollow fiber membrane. Finally, the developed mathematical model has been implemented in Aspen HYSYS to constitute an oxygen enrichment plant. RESULTS The simulation model has been validated with experimental observation with an acceptable error of < 6.5%. The process simulation tool has been used to evaluate the separation performance of oxygen enrichment plant using polymeric membrane with consideration of operating temperature (35–55 °C) and thickness dependent (400–1000 nm) physical aging. It is found that the optimal membrane design that generates highest profitability with physical aging consideration is at film thickness of ∼400 nm and operating temperature of 55 °C. Under such operating condition, the deviation between ideal and non‐ideal simulation model is also the smallest at ∼6%, which implies that physical aging has the least impact to the operability of the plant. CONCLUSION The developed simulation model has the potential to be applied for complex membrane system design (multiple membranes or hybrid system), scale up and optimization study that is essentially required for industrial scale application. © 2019 Society of Chemical Industry

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

Cited by 2 publications

References 41 publications

Gas Transport Phenomena and Polymer Dynamics in PHB/PLA Blend Films as Potential Packaging Materials

Gas Transport Phenomena and Polymer Dynamics in PHB/PLA Blend Films as Potential Packaging Materials

Process simulation and optimization of oxygen enriched combustion using thin polymeric membranes: effect of thickness and temperature dependent physical aging

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