Interfacial layer thickness is a key parameter in determining the gas separation properties of spherical nanoparticles-mixed matrix membranes: A modeling perspective

Chehrazi, Ehsan

doi:10.1016/j.commatsci.2021.111032

Cited by 11 publications

(6 citation statements)

References 66 publications

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“…Also, Pj exp and Pj cal are the experimental gas permeability data and the corresponding prediction results, respectively. The lower values of %AARE indicate the more accurate predictions of the experimental data using the model [44,57,58]. ).…”

Section: Resultsmentioning

confidence: 99%

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Theoretical models for gas separation prediction of mixed matrix membranes: effects of the shape factor of nanofillers and interface voids

Chehrazi

2023

Journal of Polymer Engineering

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In this work, a new model is developed by modifying the existing Maxwell–Wagner–Sillars (MWS) model to predict the gas separation properties of mixed matrix membranes (MMMs). The new modified MWS model, for the first time, provides the simultaneous exploration of the role of nanofillers/matrix interface voids and the exact geometrical shape of nanofillers in predicting the gas separation properties of MMMs. To unveil the crucial role of nanofillers/matrix interface voids, a mixed matrix membrane is considered a three-component system composed of the polymer matrix as the continuous component, nanofillers as the dispersed component and the interface voids between the two components. Moreover, the new model elucidates the role of the exact ellipsoidal shape of nanofillers within the membrane on the gas separation of MMMs by considering the shape factor of nanofillers. The newly developed modified MWS model is accurately able to predict the gas permeation of MMMs with a lower average absolute relative error (%AARE) of around 8% compared with the around 30% for conventional models such as the Maxwell model, Bruggeman model, Lewis–Nielsen model and Pal model and even compared with the modified Maxwell model (∼24%).

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Section: Resultsmentioning

confidence: 99%

“…This parameter is used to compare the prediction results of different theoretical models and the experimental gas permeability. The %AARE value is obtained by the following equation [44,57,58]:…”

Section: Resultsmentioning

confidence: 99%

Theoretical models for gas separation prediction of mixed matrix membranes: effects of the shape factor of nanofillers and interface voids

Chehrazi

2023

Journal of Polymer Engineering

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“…The most critical challenge in development of MMMs is the fillers/polymer matrix compatibility, that governs the gas separation performance. Therefore, investigating the fillers/polymer matrix interactions allows us to find out the key features of gas separation in MMMs. , Hence, interfacial engineering, that results in different interfacial morphologies, has gained more attention in fabricating gas separation membranes with desirable properties. , The poor polymer/filler adhesion leads to the “sieve-in-cage”, also called interfacial void, morphology in MMMs . This undesirable morphology restricts the gas separation performance of MMMs.…”

Section: Mof-based Mmms For Co2 Separationmentioning

confidence: 99%

Metal–Organic-Frameworks Based Mixed-Matrix Membranes for CO₂ Separation: An Applicable-Conceptual Approach

Mohsenpour Tehrani,

Chehrazi

2024

ACS Appl. Mater. Interfaces

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A promising class of porous crystalline materials, metal−organic frameworks (MOFs), have recently emerged as a potential material in fabricating mixed matrix membranes (MMMs) for gas separation applications. Their unique chemistry and structural versatility offer substantial advantages over conventional fillers. This review gives an in-depth exploration of MOF chemistry, focusing on strategies to manipulate their adsorption behavior to enhance separation properties. We scrutinize the impact of various MOF-based MMM components, including polymer matrix, MOFs fillers and polymer/filler interface, on the overall gas separation performance. This involves a detailed analysis of key parameters associated with MMM preparation. Additionally, we offer a comprehensive overview of the determining factors in MOF-based MMM development for gas separation, including MOF structure, synthesis, and chemistry. Moreover, the most advances in modification strategies of MOF for CO 2 separation, such as a wide variety of hybrid MOFs will be outlined, which opens the door to an improved CO 2 separation process. Finally, the gas transport mechanisms of MMMs are thoroughly discussed to understand the factors affecting the gas permeation through the polymer matrix, MOFs and interface between them.

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“…65 Although this point is more emphasized and studied in pure MOF membranes, 143 this factor still has a significant impact on the separation index of MMMs. Recently, Chehrazi 144 developed a new theoretical model of the gas permeability of spherical nanoparticle MMMs (SP-MMMs) to accurately predict the gas permeability of SP-MMMs. The model focuses on the influence of the characteristics of the matrix and filler interface in MMMs on gas permeability and provides a new way to predict the permeability characteristics of MMMs by simulation.…”

Section: Mof-based Mmm: the Most Promising Next-generation Carbon Cap...mentioning

confidence: 99%

Efficient capture and separation of CO₂‐Boosted carbon neutralization enabled by tailorable metal‐organic frameworks: A review

Zhang,

Zhou,

Yin

et al. 2023

EcoEnergy

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The long‐term development of fossil energy has led to the destruction of carbon balance. Carbon capture technology needs to be used to reduce carbon emissions before clean energy completely replaces fossil energy. Metal‐organic frameworks (MOFs), a porous crystalline material, show great potential in gas adsorption and has attracted great attention. The predictability of MOFs' structure and function also make it possible to use computational methods to advance and accelerate research. This review gives a brief overview of carbon dioxide capture and separation by MOFs, including adsorption and membrane separation. In the future, membrane separation technology is expected to be a crucial area of research for carbon capture applications due to its favorable characteristics such as high treatment efficiency and low carbon footprint, while mixed matrix membranes (MMMs) have been given more attention by scholars due to their lower cost and better separation performance. In summary, developing high‐performance MOFs or MOF derivatives and researching more efficient separation methods, such as the application of MOF‐based MMMs, should be the focus of future research by scholars in this field.

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Interfacial layer thickness is a key parameter in determining the gas separation properties of spherical nanoparticles-mixed matrix membranes: A modeling perspective

Cited by 11 publications

References 66 publications

Theoretical models for gas separation prediction of mixed matrix membranes: effects of the shape factor of nanofillers and interface voids

Theoretical models for gas separation prediction of mixed matrix membranes: effects of the shape factor of nanofillers and interface voids

Metal–Organic-Frameworks Based Mixed-Matrix Membranes for CO₂ Separation: An Applicable-Conceptual Approach

Efficient capture and separation of CO₂‐Boosted carbon neutralization enabled by tailorable metal‐organic frameworks: A review

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Interfacial layer thickness is a key parameter in determining the gas separation properties of spherical nanoparticles-mixed matrix membranes: A modeling perspective

Cited by 11 publications

References 66 publications

Theoretical models for gas separation prediction of mixed matrix membranes: effects of the shape factor of nanofillers and interface voids

Theoretical models for gas separation prediction of mixed matrix membranes: effects of the shape factor of nanofillers and interface voids

Metal–Organic-Frameworks Based Mixed-Matrix Membranes for CO2 Separation: An Applicable-Conceptual Approach

Efficient capture and separation of CO2‐Boosted carbon neutralization enabled by tailorable metal‐organic frameworks: A review

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Product

Resources

About

Metal–Organic-Frameworks Based Mixed-Matrix Membranes for CO₂ Separation: An Applicable-Conceptual Approach

Efficient capture and separation of CO₂‐Boosted carbon neutralization enabled by tailorable metal‐organic frameworks: A review