4.7 Article

Molecular self-diffusivity and separation of CH4/H2S in metal organic framework MIL-47(V)

Related references

Note: Only part of the references are listed.
Article Nanoscience & Nanotechnology

H2S Stability of Metal-Organic Frameworks: A Computational Assessment

Pengbo Lyu et al.

Summary: The H2S stability of a range of metal-organic frameworks (MOFs) was systematically assessed using first-principles calculations, identifying rate constants as reliable descriptors and establishing a qualitative ranking for H2S stability. The structure-stability relationships were further examined, enabling the anticipation of H2S stability for a specific prototypical MOF. This computational strategy offers an alternative to experimental characterizations with toxic and corrosive molecules.

ACS APPLIED MATERIALS & INTERFACES (2021)

Review Chemistry, Physical

Connecting theory and simulation with experiment for the study of diffusion in nanoporous solids

Brandon C. Bukowski et al.

Summary: Nanoporous solids are essential for chemical, energy, and environmental processes, with a variety of materials such as crystalline microporous zeotypes, metal-organic frameworks, and mesoporous and hierarchically structured materials playing crucial roles. Molecular simulation techniques combined with experimental measurements have been successful in studying diffusion processes within nanoporous solids. Future developments and experimental techniques are needed for more accurate predictions in complex systems.

ADSORPTION-JOURNAL OF THE INTERNATIONAL ADSORPTION SOCIETY (2021)

Article Biochemistry & Molecular Biology

Removal of hydrogen sulfide from a binary mixture with methane gas, using IRMOF-1: a theoretical investigation

Nailton M. Rodrigues et al.

Summary: This study investigated the adsorption and separation performance of metal-organic framework material IRMOF-1 for CH4:H2S mixture through simulation methods. The results showed its promising potential for application in gas purification.

JOURNAL OF MOLECULAR MODELING (2021)

Review Chemistry, Multidisciplinary

Water and Metal-Organic Frameworks: From Interaction toward Utilization

Xinlei Liu et al.

CHEMICAL REVIEWS (2020)

Review Chemistry, Multidisciplinary

Metal-Organic Frameworks in Heterogeneous Catalysis: Recent Progress, New Trends, and Future Perspectives

Anastasiya Bavykina et al.

CHEMICAL REVIEWS (2020)

Review Chemistry, Multidisciplinary

Proton Transport in Metal-Organic Frameworks

Dae-Woon Lim et al.

CHEMICAL REVIEWS (2020)

Review Chemistry, Physical

Hydrogen Sulfide (H2S) Removal via MOFs

Amvrosios G. Georgiadis et al.

MATERIALS (2020)

Article Engineering, Environmental

Isoreticular rare earth fcu-MOFs for the selective removal of H2S from CO2 containing gases

Prashant M. Bhatt et al.

CHEMICAL ENGINEERING JOURNAL (2017)

Article Chemistry, Physical

First Principles Studies toward the Design of Silylene Superbases: A Density Functional Theory Study

Abul Kalam Biswas et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2013)

Article Physics, Multidisciplinary

Diffusion of Branched and Linear C-6-Alkanes in the MIL-47(V) Metal-Organic Framework.

Sebastien Rives et al.

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN (2013)

Article Chemistry, Applied

Sorption and breathing properties of difluorinated MIL-47 and Al-MIL-53 frameworks

Shyam Biswas et al.

MICROPOROUS AND MESOPOROUS MATERIALS (2013)

Article Chemistry, Multidisciplinary

Adsorption of hydrogen sulphide on Metal-Organic Frameworks

Juan Jose Gutierrez-Sevillano et al.

RSC ADVANCES (2013)

Article Chemistry, Physical

Experimental and Simulation Evidence of a Corkscrew Motion for Benzene in the Metal-Organic Framework MIL-47

Daniil I. Kolokolov et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2012)

Review Chemistry, Multidisciplinary

Why hybrid porous solids capture greenhouse gases?

Gerard Ferey et al.

CHEMICAL SOCIETY REVIEWS (2011)

Article Chemistry, Applied

Hydrocarbon adsorption in the isostructural metal organic frameworks MIL-53(Cr) and MIL-47(V)

Thuy Khuong Trung et al.

MICROPOROUS AND MESOPOROUS MATERIALS (2011)

Article Chemistry, Multidisciplinary

Enabling Cleaner Fuels: Desulfurization by Adsorption to Microporous Coordination Polymers

Katie A. Cychosz et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2009)

Article Chemistry, Multidisciplinary

Quasi-elastic neutron scattering and molecular dynamics study of methane diffusion in metal organic frameworks MIL-47(V) and MIL-53(Cr)

Nilton Rosenbach et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2008)

Article Engineering, Environmental

Using molecular simulations for screening of zeolites for separation Of CO2/CH4 mixtures

R. Krishna et al.

CHEMICAL ENGINEERING JOURNAL (2007)

Article Chemistry, Multidisciplinary

An explanation for the very large breathing effect of a metal-organic framework during CO2 adsorption

Christian Serre et al.

ADVANCED MATERIALS (2007)

Article Chemistry, Physical

Effect of partial charge parametrization on the fluid phase behavior of hydrogen sulfide

G Kamath et al.

JOURNAL OF CHEMICAL PHYSICS (2005)