Ayda Nemati Vesali Azar
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View article: Mixed‐alkali effect in the thermal collapse and melting kinetics of Zeolite X
Mixed‐alkali effect in the thermal collapse and melting kinetics of Zeolite X Open
The thermal stability of zeolites underlies their many applications. Structural collapse usually occurs through a series of reactions, involving an initial low‐density amorphous state (LDA), a high‐density melt (HDA), and, eventually, a de…
View article: Observation of a Reversible Order‐Order Transition in a Metal‐Organic Framework – Ionic Liquid Nanocomposite Phase‐Change Material
Observation of a Reversible Order‐Order Transition in a Metal‐Organic Framework – Ionic Liquid Nanocomposite Phase‐Change Material Open
Metal‐organic framework (MOF) composite materials containing ionic liquids (ILs) have been proposed for a range of potential applications, including gas separation, ion conduction, and hybrid glass formation. Here, an order transition in a…
View article: Amorphization‐controlled ion release of cobalt‐exchanged zeolite X
Amorphization‐controlled ion release of cobalt‐exchanged zeolite X Open
Zeolitic carrier materials offer ion release and uptake functionality for a wide range of applications. The release kinetics are controlled by the mobility of the target species within the zeolite framework and at its surface. Here, we ach…
View article: Large-Scale Computational Screening of Metal Organic Framework (MOF) Membranes and MOF-Based Polymer Membranes for H<sub>2</sub>/N<sub>2</sub> Separations
Large-Scale Computational Screening of Metal Organic Framework (MOF) Membranes and MOF-Based Polymer Membranes for H<sub>2</sub>/N<sub>2</sub> Separations Open
Several thousands of metal organic frameworks (MOFs) have been reported to date, but the information on H2/N2 separation performances of MOF membranes is currently very limited in the literature. We report the first large-scale computation…
View article: An extensive comparative analysis of two MOF databases: high-throughput screening of computation-ready MOFs for CH<sub>4</sub> and H<sub>2</sub> adsorption
An extensive comparative analysis of two MOF databases: high-throughput screening of computation-ready MOFs for CH<sub>4</sub> and H<sub>2</sub> adsorption Open
An extensive comparative analysis of two computation-ready MOF databases was provided to study adsorption and separation of CH4 and H2.
View article: Database for CO<sub>2</sub> Separation Performances of MOFs Based on Computational Materials Screening
Database for CO<sub>2</sub> Separation Performances of MOFs Based on Computational Materials Screening Open
Metal-organic frameworks (MOFs) are potential adsorbents for CO2 capture. Because thousands of MOFs exist, computational studies become very useful in identifying the top performing materials for target applications in a time-effective man…
View article: Computational Screening of MOFs for Acetylene Separation
Computational Screening of MOFs for Acetylene Separation Open
Efficient separation of acetylene (C2H2) from CO2 and CH4 is important to meet the requirement of high-purity acetylene in various industrial applications. Metal organic frameworks (MOFs) are great candidates for adsorption-based C2H2/CO2 …