Stochastic microstructure delineation and flow simulation in asymmetric block copolymer ultrafiltration membranes

Riasi, M. Sadegh; Tsaur, Lieihn; Li, Yuk Mun; Zhang, Qi; Wiesner, Ulrich; Yeghiazarian, Lilit

doi:10.1016/j.memsci.2022.121163

Cited by 4 publications

(1 citation statement)

References 29 publications

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“…Three-dimensional (3D) SNIPS membrane reconstructions can provide valuable information about layer-by-layer porosity and pore size distribution in the substructure that would enable more accurate flow modeling [45], but such techniques are often time-and cost-intensive. Therefore, as a first step towards making SNIPS membrane modeling more accessible, Riasi et al recently delineated the hierarchical asymmetric pore structure of two ISV membranes derived from different sized terpolymers using a series of 2D SEM images with varied resolutions (Figure 7a) [33]. Flow simulated using a novel stochastic pore network model led to computed absolute permeabilities in good agreement with experimental results.…”

Section: Perspectives On Single-component Isv Snips: the Inverted Des...mentioning

confidence: 88%

Non-Equilibrium Block Copolymer Self-Assembly Based Porous Membrane Formation Processes Employing Multicomponent Systems

Tsaur

Wiesner

2023

Polymers

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Porous polymer-derived membranes are useful for applications ranging from filtration and separation technologies to energy storage and conversion. Combining block copolymer (BCP) self-assembly with the industrially scalable, non-equilibrium phase inversion technique (SNIPS) yields membranes comprising periodically ordered top surface structures supported by asymmetric, hierarchical substructures that together overcome performance tradeoffs typically faced by materials derived from equilibrium approaches. This review first reports on recent advances in understanding the top surface structural evolution of a model SNIPS-derived system during standard membrane formation. Subsequently, the application of SNIPS to multicomponent systems is described, enabling pore size modulation, chemical modification, and transformation to non-polymeric materials classes without compromising the structural features that define SNIPS membranes. Perspectives on future directions of both single-component and multicomponent membrane materials are provided. This points to a rich and fertile ground for the study of fundamental as well as applied problems using non-equilibrium-derived asymmetric porous materials with tunable chemistry, composition, and structure.

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Section: Perspectives On Single-component Isv Snips: the Inverted Des...mentioning

confidence: 88%

Non-Equilibrium Block Copolymer Self-Assembly Based Porous Membrane Formation Processes Employing Multicomponent Systems

Tsaur

Wiesner

2023

Polymers

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Data-science-based reconstruction of 3-D membrane pore structure using a single 2-D micrograph

Chamani

Rabbani

Russell

et al. 2023

Journal of Membrane Science

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Numerical Design of Asymmetric Porous Materials With Target Properties

et al. 2024

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Numerical tools have become ubiquitous in design of manufactured porous materials. Many methods have been developed for imaging, reconstruction, material property estimation, and generation of materials in a virtual environment with the ultimate goal of understanding the connection between the synthesis process, material microstructure, and material properties. In previous works, we presented a new random field-based generation technique called adjustable level cut filtered Poisson field (ALCPF). We paired the ALCPF technique with a flow simulation method, the pore topology method (PTM), to compute material properties and verify that targets have been attained. Building on our earlier work where we demonstrated the ability of ALCPF to efficiently generate a wide variety of homogeneous microstructures, we pursue three new goals. First, we extend ALCPF to produce heterogeneous asymmetric porous materials with a target pore size gradient. Second, we demonstrate the capability of asymmetric-ALCPF to control both solid and void spaces by generating virtual asymmetric materials with different types of solid matrix geometries and void space pore size gradients. Third, we use these materials to assess the accuracy of PTM results in comparison with the solution from a direct numerical simulation. This work demonstrates that the ALCPF method successfully generates porous microstructures with desired asymmetric geometry with less than 4% error compared to target pore size gradient. Also, PTM estimates permeability with an average error of less than 7% compared to direct numerical simulation results.

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Stochastic microstructure delineation and flow simulation in asymmetric block copolymer ultrafiltration membranes

Cited by 4 publications

References 29 publications

Non-Equilibrium Block Copolymer Self-Assembly Based Porous Membrane Formation Processes Employing Multicomponent Systems

Non-Equilibrium Block Copolymer Self-Assembly Based Porous Membrane Formation Processes Employing Multicomponent Systems

Data-science-based reconstruction of 3-D membrane pore structure using a single 2-D micrograph

Numerical Design of Asymmetric Porous Materials With Target Properties

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