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    Diversity matters: Widening the chemical space in organic solvent nanofiltration

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    Name:
    111_1-s2.0-S0376738821008723-main.pdf
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    2.549Mb
    Format:
    PDF
    Description:
    Accepted manuscript
    Embargo End Date:
    2023-09-01
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    Type
    Article
    Authors
    Ignacz, Gergo cc
    Yang, Cong cc
    Szekely, Gyorgy cc
    KAUST Department
    Advanced Membranes and Porous Materials Research Center
    Chemical Engineering Program
    Physical Science and Engineering (PSE) Division
    Date
    2021-09
    Embargo End Date
    2023-09-01
    Submitted Date
    2021-09-01
    Permanent link to this record
    http://hdl.handle.net/10754/672042
    
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    Abstract
    Niche membrane technologies, such as organic solvent nanofiltration (OSN), offer considerable energy and operation cost reduction compared with conventional separation methods. However, despite their many advantages, their industrial implementation is hindered by small and specialized datasets, which hinders the development of more advanced prediction methods. In this study, we developed a medium-throughput system (MTS) for OSN with high robustness and low error. The MTS was used to generate a dataset containing 336 different molecules, and their rejection values were measured at two different pressures using three commercial DuraMem polyimide membranes with different molecular weight cut-off values in methanol. The diversity of the generated dataset was compared with the diversity values of other relevant datasets using 26 different chemometric molecular descriptors, including the heteroatom count, topological surface area, different shape descriptors, Van der Waals volume, logP, and logS. The rejection was found to be weakly dependent on the functional group and molecular weight at the lower end of the nanofiltration range. We proposed the use of a novel structural similarity-based indexing method for comparing solutes. Also, we established the first open-access and searchable dataset for OSN rejection values. The newly established www.osndatabase.com pilot website acts as the foundation of the dataset.
    Citation
    Ignacz, G., Yang, C., & Szekely, G. (2021). Diversity matters: Widening the chemical space in organic solvent nanofiltration. Journal of Membrane Science, 119929. doi:10.1016/j.memsci.2021.119929
    Sponsors
    The research reported in this publication was supported by funding from King Abdullah University of Science and Technology (KAUST). The authors thank Hashim Alshihari from KAUST for his kind help in the filtrations. We are grateful to Ingo Pinnau; Sandra Aristizabal and Suzana P. Nunes; Basem Moosa and Niveen M. Khachab; Osama Shekhah and Mohamed Eddaoudi; Digambar B. Shinde and Zhiping Lai; Xinglong Dong and Yu Han for their generous provision of some solutes used in this study. The authors thank Lucas Cavalcante for his kind help with the website deployment.
    Publisher
    Elsevier BV
    Journal
    Journal of Membrane Science
    DOI
    10.1016/j.memsci.2021.119929
    Additional Links
    https://linkinghub.elsevier.com/retrieve/pii/S0376738821008723
    ae974a485f413a2113503eed53cd6c53
    10.1016/j.memsci.2021.119929
    Scopus Count
    Collections
    Articles; Advanced Membranes and Porous Materials Research Center; Physical Science and Engineering (PSE) Division; Chemical Engineering Program

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