Fouling behavior of protein in mixed solvent systems: A combined experimental and simulation study
Artikel i vetenskaplig tidskrift, 2024
Membrane fouling in organic solvent environments remains poorly explored despite its significance in chemical and pharmaceutical industries. This study uses molecular dynamics (MD) simulations and experiments to explore lysozyme fouling in water, as well as four organic solvent environments, namely, 30 % v/v and 50 % v/v isopropyl alcohol (IPA), and 30 % v/v and 50 % v/v dimethyl sulfoxide (DMSO). Experimentally, flux declines were least with IPA and worst with DMSO. Biased simulations indicate the worst fouling in DMSO is tied to the most attractive lysozyme-membrane energy in the presence of DMSO. However, the relative attractive energies for IPA and water do not agree with the relative flux declines, indicating other factors are more influential when the interaction energies are similar. To understand the gentler flux decline for IPA despite the more attractive lysozyme-membrane energy, radial distribution functions (RDFs) were obtained from unbiased simulations. Analyss of the water and solvent films around both the membrane and the lysozyme molecule reveal that the denser water film around both entities induced by the presence of IPA serves as a barrier for fouling and thus leads to less flux decline. The results underscore the complexity of fouling in organic solvent systems, cautioning against direct use of the understanding based on aqueous systems.
Organic solvent mixture
Molecular dynamics simulation
Membrane fouling
Free energy of adsorption
Solvation film
Författare
Angie Qi Qi Ng
School of Chemical and Biomedical Engineering
Nanyang Environment & Water Research Institute
Graduate College
Yunqiao Ma
School of Chemical and Biomedical Engineering
Nanyang Environment & Water Research Institute
Graduate College
Henry J. Tanudjaja
School of Chemical and Biomedical Engineering
King Abdullah University of Science and Technology (KAUST)
Navin Raj Tamilselvam
School of Chemical and Biomedical Engineering
Rong Wang
School of Civil and Environmental Engineering
Nanyang Environment & Water Research Institute
Jia Wei Chew
Chalmers, Kemi och kemiteknik, Kemiteknik
School of Chemical and Biomedical Engineering
Nanyang Environment & Water Research Institute
Publicerad i
Journal of Membrane Science
0376-7388 (ISSN) 18733123 (eISSN)
Vol. 693 art. nr 122361Kategorisering
Ämneskategorier (SSIF 2011)
Miljöbioteknik
Organisk kemi
Identifikatorer
DOI
10.1016/j.memsci.2023.122361