Toward an Understanding of the Microstructure and Interfacial Properties of PIMs/ZIF-8 Mixed Matrix Membranes

Benzaqui, Marvin; Semino, Rocío; Menguy, Nicolas; Carn, Florent; Kundu, Tanay; Guigner, Jean‐Michel; McKeown, Neil B.; Msayib, Kadhum J.; Carta, Mariolino; Malpass‐Evans, Richard; Guillouzer, Clément Le; Clet, Guillaume; Ramsahye, Naseem A.; Serre, Christian; Maurin, Guillaume; Steunou, Nathalie

doi:10.1021/acsami.6b08954

Cited by 97 publications

(110 citation statements)

References 60 publications

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“…One way to stabilize the polymer matrix is by introducing several different kinds of fillers to design mixed matrix membranes (MMMs). Main examples for fillers that are used for MMMs are porous materials like MOFs, [101][102][103] carbon nitrides 104 but also microporous polymer networks [105][106][107] and related molecular fillers like organic cages (Fig. 6).…”

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confidence: 99%

Trends and challenges for microporous polymers

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Trends and challenges for microporous polymers

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“…However, several studies have revealed that ZIF‐8 nanocrystals tend to form agglomerates in MMMs at relatively high loadings (>20 wt%), which may result in the formation of nonselective voids that can deteriorate the membrane selectivity. [20,23a,24] Moreover, strong interactions between ZIF‐8 fillers and polymer matrix, which are important for improved interfacial compatibility, have not been widely observed in MMMs yet . Diverse strategies, including ammonia modification, polymer coating, and polymer grafting, haven been demonstrated to be effective in enhancing polymer–ZIF interfacial compatibility, which can improve the comprehensive performance of MMMs for separations.…”

Section: Choices Of Advanced Porous Materialsmentioning

confidence: 99%

Advanced Porous Materials in Mixed Matrix Membranes

et al. 2018

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Membrane technology has gained great interest in industrial separation processing over the past few decades owing to its high energy efficiency, small capital investment, environmentally benign characteristics, and the continuous operation process. Among various types of membranes, mixed matrix membranes (MMMs) combining the merits of the polymer matrix and inorganic/organic fillers have been extensively investigated. With the rapid development of chemistry and materials science, recent studies have shifted toward the design and application of advanced porous materials as promising fillers to boost the separation performance of MMMs. Here, first a comprehensive overview is provided on the choices of advanced porous materials recently adopted in MMMs, including metal-organic frameworks, porous organic frameworks, and porous molecular compounds. Novel trends in MMMs induced by these advanced porous fillers are discussed in detail, followed by a summary of applying these MMMs for gas and liquid separations. Finally, a concise conclusion and current challenges toward the industrial implementation of MMMs are outlined, hoping to provide guidance for the design of high-performance membranes to meet the urgent needs of clean energy and environmental sustainability.

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“…The same group [104] also examined ZIF-8/PIM-1 membranes using molecular simulations and experiments. Their results showed that the microstructure of MMMs is based on many features including the molecular structure and rigidity of polymer and MOF/polymer interactions.…”

Section: Understanding the Mof/polymer Compatibility: The Role Of Commentioning

confidence: 99%

A Review on Computational Modeling Tools for MOF-Based Mixed Matrix Membranes

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2019

Computation

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Computational modeling of membrane materials is a rapidly growing field to investigate the properties of membrane materials beyond the limits of experimental techniques and to complement the experimental membrane studies by providing insights at the atomic-level. In this study, we first reviewed the fundamental approaches employed to describe the gas permeability/selectivity trade-off of polymer membranes and then addressed the great promise of mixed matrix membranes (MMMs) to overcome this trade-off. We then reviewed the current approaches for predicting the gas permeation through MMMs and specifically focused on MMMs composed of metal organic frameworks (MOFs). Computational tools such as atomically-detailed molecular simulations that can predict the gas separation performances of MOF-based MMMs prior to experimental investigation have been reviewed and the new computational methods that can provide information about the compatibility between the MOF and the polymer of the MMM have been discussed. We finally addressed the opportunities and challenges of using computational studies to analyze the barriers that must be overcome to advance the application of MOF-based membranes.Computation 2019, 7, 36 2 of 26 these porous fillers, metal organic frameworks (MOFs) have received special attention due to their well-defined structures and tunable pore sizes.MOFs combine the properties of both inorganic and organic materials since they are assembled using metal ions with organic linkers [14]. The most important challenges involved in fabricating the MOF-based MMMs are to prevent the aggregation of the particles in the polymer and poor interaction between the particles and the polymer matrix. Rubbery polymers favor the formation of a defect-free interface between the particles and matrix due to their high degree of mobility. Flexible chains in the rubbery polymers make the membrane highly permeable, consequently, the gas transport is mainly dominated by the polymer matrix and the contribution of the MOF particles to the overall transport becomes very small. Glassy polymers have rigid chain structures, thus, they exhibit superior separation performance. On the other hand, the rigid structure weakens the interaction between polymers and particles. MOFs contain organic functionality in their bridging ligands, which can interact with the organic functionality in polymers. Numerous numbers of linkers and metal ions can be combined to fabricate MOFs, which can then be used as fillers in hundreds of different types of polymers; consequently, experimental screening of all MOF/polymer combinations is practically impossible. At this stage, computational tools play a key role in extensive screening of a large number of MOF/polymer combinations for particular gas separation. The MOF permeability obtained from the atomically detailed simulations is used as an input in permeation theories such as the Maxwell model to predict the gas permeabilities in MMMs. On the other hand, full atomistic simulations consider MOF and polymer simultan...

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Toward an Understanding of the Microstructure and Interfacial Properties of PIMs/ZIF-8 Mixed Matrix Membranes

Cited by 97 publications

References 60 publications

Trends and challenges for microporous polymers

Trends and challenges for microporous polymers

Advanced Porous Materials in Mixed Matrix Membranes

A Review on Computational Modeling Tools for MOF-Based Mixed Matrix Membranes

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