CO2 Adsorption in Metal-Organic Framework Mg-MOF-74: Effects of Inter-Crystalline Space

Structure and dynamics of ethane confined in silica nanopores in the presence of CO2

(2020) Tingting Liu et al.   JOURNAL OF CHEMICAL PHYSICS

Hierarchy in Metal–Organic Frameworks

(2020) Liang Feng et al.   ACS Central Science

Permanently Microporous Metal–Organic Polyhedra

(2020) Eric J. Gosselin et al.   CHEMICAL REVIEWS

Simulations on “Powder” Samples for Better Agreement with Macroscopic Measurements

(2019) Angela Mary Thomas et al.   Journal of Physical Chemistry C

Bridging the gap between diffusivities from experiment and molecular dynamics: n-hexane and 2,2-dimethyl butane in zeolite BEA

(2019) Angela Mary Thomas et al.   MICROPOROUS AND MESOPOROUS MATERIALS

Preferential Adsorption in Ethane/Carbon Dioxide Fluid Mixtures Confined within Silica Nanopores

(2019) M. Dolores Elola et al.   Journal of Physical Chemistry C

Energy and productivity efficient vacuum pressure swing adsorption process to separate CO 2 from CO 2 /N 2 mixture using Mg-MOF-74: A CFD simulation

(2018) Naef A.A. Qasem et al.   APPLIED ENERGY

Controlled synthesis of micro/nanoscale Mg-MOF-74 materials and their adsorption property

(2018) Zhao-Yu Yao et al.   MATERIALS LETTERS

Highly Selective Separation of CO2, CH4, and C2–C4 Hydrocarbons in Ultramicroporous Semicycloaliphatic Polyimides

(2018) Jun Yan et al.   ACS Applied Materials & Interfaces

Diffusion processes in a poly-crystalline zeolitic material: A molecular dynamics study

(2018) Angela Mary Thomas et al.   JOURNAL OF CHEMICAL PHYSICS

Diffusion of Water and Carbon Dioxide and Mixtures Thereof in Mg-MOF-74

(2018) S. Bendt et al.   Journal of Physical Chemistry C

Sorption, Structure and Dynamics of CO2 and Ethane in Silicalite at High Pressure: A Combined Monte Carlo and Molecular Dynamics Simulation Study

(2018) Siddharth Gautam et al.   MOLECULES

Polarizable Force Fields for CO2 and CH4 Adsorption in M-MOF-74

(2017) Tim M. Becker et al.   Journal of Physical Chemistry C

Controlling the size and shape of Mg-MOF-74 crystals to optimise film synthesis on alumina substrates

(2017) James Campbell et al.   MICROPOROUS AND MESOPOROUS MATERIALS

CO2, the greenhouse effect and global warming: from the pioneering work of Arrhenius and Callendar to today's Earth System Models

(2016) Thomas R. Anderson et al.   ENDEAVOUR

Role of Confinement on Adsorption and Dynamics of Ethane and an Ethane–CO2 Mixture in Mesoporous CPG Silica

(2016) Sumant Patankar et al.   Journal of Physical Chemistry C

CO2–C4H10 Mixtures Simulated in Silica Slit Pores: Relation between Structure and Dynamics

(2015) Thu Le et al.   Journal of Physical Chemistry C

Dynamics of Propane in Nanoporous Silica Aerogel: A Quasielastic Neutron Scattering Study

(2015) Siddharth Gautam et al.   Journal of Physical Chemistry C

RASPA: molecular simulation software for adsorption and diffusion in flexible nanoporous materials

(2015) David Dubbeldam et al.   MOLECULAR SIMULATION

High CO2/CH4and C2 Hydrocarbons/CH4Selectivity in a Chemically Robust Porous Coordination Polymer

(2013) Jingui Duan et al.   ADVANCED FUNCTIONAL MATERIALS

DL_MONTE: a general purpose program for parallel Monte Carlo simulation

(2013) J.A. Purton et al.   MOLECULAR SIMULATION

Adsorption of CO2, CH4, and N2 on Gas Diameter Grade Ion-Exchange Small Pore Zeolites

(2012) Jiangfeng Yang et al.   JOURNAL OF CHEMICAL AND ENGINEERING DATA

Ab initio carbon capture in open-site metal–organic frameworks

(2012) Allison L. Dzubak et al.   Nature Chemistry

Metal−Organic Frameworks as Adsorbents for Hydrogen Purification and Precombustion Carbon Dioxide Capture

(2011) Zoey R. Herm et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Effect of carbon dioxide and nitrogen on the diffusivity of methane confined in nano-porous carbon aerogel

(2011) S.M. Chathoth et al.   MICROPOROUS AND MESOPOROUS MATERIALS

Adsorption and Separation of Noble Gases by IRMOF-1: Grand Canonical Monte Carlo Simulations

(2009) Jeffery A. Greathouse et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Screening of Metal−Organic Frameworks for Carbon Dioxide Capture from Flue Gas Using a Combined Experimental and Modeling Approach

(2009) A. Özgür Yazaydın et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

VESTA: a three-dimensional visualization system for electronic and structural analysis

(2008) Koichi Momma et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Dramatic Tuning of Carbon Dioxide Uptake via Metal Substitution in a Coordination Polymer with Cylindrical Pores

(2008) Stephen R. Caskey et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY