Pervaporative Dehydration of 2,3-Butanediol by Dense Poly(vinylidene fluoride) Hollow Fiber Membranes: Parameter Estimation, Process Design, and Technoeconomic Evaluation under Uncertainty

Marco Avendano; Blake Trusty; Shailesh Dangwal; Zachary Coin; Syed Islam; Sankar Nair; Ramesh Bhave; Matthew J. Realff

doi:10.1021/acs.iecr.5c01198

Pervaporative Dehydration of 2,3-Butanediol by Dense Poly(vinylidene fluoride) Hollow Fiber Membranes: Parameter Estimation, Process Design, and Technoeconomic Evaluation under Uncertainty

Marco Avendano
, Blake Trusty
, Shailesh Dangwal
, Zachary Coin
, Syed Islam
, Sankar Nair
, Ramesh Bhave
, Matthew J. Realff

Soft Materials and Membranes

Research output: Contribution to journal › Article › peer-review

1 Scopus citations

Abstract

Pervaporation, combined with other separation processes, can effectively remove water from fermentation product streams, making it highly suitable for purifying alcohols like 2,3-butanediol (BDO). In this study, a dense poly(vinylidene fluoride) (PVDF) hollow fiber membrane module prototype was fabricated for BDO dehydration, achieving >0.2 LMH total flux and >95% BDO rejection. With a Markov chain Monte Carlo (MCMC) approach, Bayesian inference was used to quantify the uncertainty of the permeance parameters. A membrane cascade model was developed to scale up a process that purifies a preconcentrated BDO feed (70 wt %) to high purity (90 wt %). Through propagation of the uncertainty of the parameters and sensitivity analyses of the process variables, a cascade design was recommended. Despite data and model limitations, the framework enabled a reliable system analysis and economic evaluation, validated through tight confidence intervals in key process metrics, establishing the foundation for future applications of Bayesian methods in membrane-based processes.

Original language	English
Pages (from-to)	16770-16785
Number of pages	16
Journal	Industrial and Engineering Chemistry Research
Volume	64
Issue number	34
DOIs	https://doi.org/10.1021/acs.iecr.5c01198
State	Published - Aug 27 2025

Funding

This manuscript has been authored by UT-Battelle, LLC, under contract DE-AC05–00OR22725 with the US Department of Energy (DOE). The US government retains and the publisher, by accepting the article for publication, acknowledges that the US government retains a nonexclusive, paid-up, irrevocable, worldwide license to publish or reproduce the published form of this manuscript, or allow others to do so, for US government purposes. DOE will provide public access to these results of federally sponsored research in accordance with the DOE Public Access Plan ( https://www.energy.gov/doe-public-access-plan ). This work was supported by the Department of Energy, Bioenergy Technologies Office (BETO) under contract DE-EE-0009263. The ORNL team would like to acknowledge Lawrence Powell for his help monitoring ongoing experiments. The ORNL team would like to acknowledge Dr. Stephen Dewitt, Dr. Wei Wang, and Dr. Walt Kosar from Arkema, Inc. for their technical support with membrane coating.

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10.1021/acs.iecr.5c01198

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Avendano, M., Trusty, B., Dangwal, S., Coin, Z., Islam, S., Nair, S., Bhave, R., & Realff, M. J. (2025). Pervaporative Dehydration of 2,3-Butanediol by Dense Poly(vinylidene fluoride) Hollow Fiber Membranes: Parameter Estimation, Process Design, and Technoeconomic Evaluation under Uncertainty. Industrial and Engineering Chemistry Research, 64(34), 16770-16785. https://doi.org/10.1021/acs.iecr.5c01198

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title = "Pervaporative Dehydration of 2,3-Butanediol by Dense Poly(vinylidene fluoride) Hollow Fiber Membranes: Parameter Estimation, Process Design, and Technoeconomic Evaluation under Uncertainty",

abstract = "Pervaporation, combined with other separation processes, can effectively remove water from fermentation product streams, making it highly suitable for purifying alcohols like 2,3-butanediol (BDO). In this study, a dense poly(vinylidene fluoride) (PVDF) hollow fiber membrane module prototype was fabricated for BDO dehydration, achieving >0.2 LMH total flux and >95\% BDO rejection. With a Markov chain Monte Carlo (MCMC) approach, Bayesian inference was used to quantify the uncertainty of the permeance parameters. A membrane cascade model was developed to scale up a process that purifies a preconcentrated BDO feed (70 wt \%) to high purity (90 wt \%). Through propagation of the uncertainty of the parameters and sensitivity analyses of the process variables, a cascade design was recommended. Despite data and model limitations, the framework enabled a reliable system analysis and economic evaluation, validated through tight confidence intervals in key process metrics, establishing the foundation for future applications of Bayesian methods in membrane-based processes.",

author = "Marco Avendano and Blake Trusty and Shailesh Dangwal and Zachary Coin and Syed Islam and Sankar Nair and Ramesh Bhave and Realff, \{Matthew J.\}",

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Avendano, M, Trusty, B, Dangwal, S, Coin, Z, Islam, S, Nair, S, Bhave, R & Realff, MJ 2025, 'Pervaporative Dehydration of 2,3-Butanediol by Dense Poly(vinylidene fluoride) Hollow Fiber Membranes: Parameter Estimation, Process Design, and Technoeconomic Evaluation under Uncertainty', Industrial and Engineering Chemistry Research, vol. 64, no. 34, pp. 16770-16785. https://doi.org/10.1021/acs.iecr.5c01198

Pervaporative Dehydration of 2,3-Butanediol by Dense Poly(vinylidene fluoride) Hollow Fiber Membranes: Parameter Estimation, Process Design, and Technoeconomic Evaluation under Uncertainty. / Avendano, Marco; Trusty, Blake; Dangwal, Shailesh et al.
In: Industrial and Engineering Chemistry Research, Vol. 64, No. 34, 27.08.2025, p. 16770-16785.

Research output: Contribution to journal › Article › peer-review

TY - JOUR

T1 - Pervaporative Dehydration of 2,3-Butanediol by Dense Poly(vinylidene fluoride) Hollow Fiber Membranes

T2 - Parameter Estimation, Process Design, and Technoeconomic Evaluation under Uncertainty

AU - Avendano, Marco

AU - Trusty, Blake

AU - Dangwal, Shailesh

AU - Coin, Zachary

AU - Islam, Syed

AU - Nair, Sankar

AU - Bhave, Ramesh

AU - Realff, Matthew J.

PY - 2025/8/27

Y1 - 2025/8/27

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AB - Pervaporation, combined with other separation processes, can effectively remove water from fermentation product streams, making it highly suitable for purifying alcohols like 2,3-butanediol (BDO). In this study, a dense poly(vinylidene fluoride) (PVDF) hollow fiber membrane module prototype was fabricated for BDO dehydration, achieving >0.2 LMH total flux and >95% BDO rejection. With a Markov chain Monte Carlo (MCMC) approach, Bayesian inference was used to quantify the uncertainty of the permeance parameters. A membrane cascade model was developed to scale up a process that purifies a preconcentrated BDO feed (70 wt %) to high purity (90 wt %). Through propagation of the uncertainty of the parameters and sensitivity analyses of the process variables, a cascade design was recommended. Despite data and model limitations, the framework enabled a reliable system analysis and economic evaluation, validated through tight confidence intervals in key process metrics, establishing the foundation for future applications of Bayesian methods in membrane-based processes.

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ER -

Pervaporative Dehydration of 2,3-Butanediol by Dense Poly(vinylidene fluoride) Hollow Fiber Membranes: Parameter Estimation, Process Design, and Technoeconomic Evaluation under Uncertainty

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