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Dehydration of bioethanol produced from argane pulp using pervaporation membrane process: Experimental, molecular dynamics and GCMC simulation studies

Title
Dehydration of bioethanol produced from argane pulp using pervaporation membrane process: Experimental, molecular dynamics and GCMC simulation studies
Author
하산 르가즈
Keywords
Pervaporation; Bioethanol; PVA membrane; Free volume; Molecular dynamics; Monte Carlo
Issue Date
2021-05
Publisher
ELSEVIER
Citation
JOURNAL OF MOLECULAR LIQUIDS, v. 329, Page. 115441-115441
Abstract
Pervaporation process would be a promising method for bioethanol recovery and dehydration from fermentation broth thanks to its eco-friendly and energy-saving characteristics. Herein, hydrophilic and dense polyvinyl alco- hol (PVA) based membranes were prepared, characterized and employed to concentrate bioethanol recovered by distillation from argane pulp fermentate, through pervaporation process. Prepared membranes were character- ized using Fourier transform infrared spectroscopy (FTIR), and their intermolecular interactions were studied using density and swelling experiments. The effects of water content (in wt%; from 5 to 50%) and temperature (303 to 323 K) of the feed mixture on pervaporation performance were investigated. The obtained experimental data showed that swelling degree is increased with increasing the water content in the feed mixture. The selec- tivity of prepared membranes decreased, and total flux increased with increasing temperature and water con- tent. Moreover, ethanol was concentrated from 90% to 97%. Besides, molecular dynamics (MD) simulations and Grand Canonical Monte Carlo (GCMC) simulation were used to investigate the performance of membranes toward penetrant molecules from a theoretical point of view. Some theoretical parameters such as mean- square displacement (MSD), fractional accessible volume (FAV), sorption behavior of water/ethanol mixture were extracted to study the mobility and diffusivity of water and ethanol molecules inside PVA membranes. The- oretical results were in good consistency with experimental ones.
URI
https://www.sciencedirect.com/science/article/pii/S0167732221001677https://repository.hanyang.ac.kr/handle/20.500.11754/171725
ISSN
0167-7322
DOI
10.1016/j.molliq.2021.115441
Appears in Collections:
OFFICE OF ACADEMIC AFFAIRS[E](교무처) > Center for Creative Convergence Education(창의융합교육원) > Articles
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