Effect of ionic liquids in carbon nanotube bundles on CO2, H2S, and N2 separation from CH4: A computational study

3D Graphene as an Unconventional Support Material for Ionic Liquid Membranes: Computational Insights into Gas Separations

(2020) Farzin Rahmani et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Unlocking CO2 separation performance of ionic liquid/CuBTC composites: Combining experiments with molecular simulations

(2019) H. Mert Polat et al.   CHEMICAL ENGINEERING JOURNAL

Gelled Graphene Oxide–Ionic Liquid Composite Membranes with Enriched Ionic Liquid Surfaces for Improved CO2 Separation

(2018) Winny Fam et al.   ACS Applied Materials & Interfaces

Capture of CO 2 in carbon nanotube bundles supported with room-temperature ionic liquids: A molecular simulation study

(2018) Yongping Zeng et al.   CHEMICAL ENGINEERING SCIENCE

Molecular Simulation Study of the Performance of Supported Ionic Liquid Phase Materials for the Separation of Carbon Dioxide from Methane and Hydrogen

(2017) Samir Budhathoki et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Ion-Pairing and Electrical Conductivity in the Ionic Liquid 1-n-Butyl-3-methylimidazolium Methylsulfate [Bmim][MeSO4]: Molecular Dynamics Simulation Study

(2017) Azam Afandak et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Effects of ionic liquid dispersion in metal-organic frameworks and covalent organic frameworks on CO2 capture: A computational study

(2016) Wenjuan Xue et al.   CHEMICAL ENGINEERING SCIENCE

Ionic Liquid Design and Process Simulation for Decarbonization of Shale Gas

(2016) Xinyan Liu et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Simultaneous enhancement of mechanical properties and CO 2 selectivity of ZIF-8 mixed matrix membranes: Interfacial toughening effect of ionic liquid

(2016) Hao Li et al.   JOURNAL OF MEMBRANE SCIENCE

Storage and Separation of Carbon Dioxide and Methane in Hydrated Covalent Organic Frameworks

(2016) J. M. Vicent-Luna et al.   Journal of Physical Chemistry C

Adsorption of CO2, CH4, and N2 in Micro-Mesoporous Nanographene: A Comparative Study

(2015) Dipendu Saha et al.   JOURNAL OF CHEMICAL AND ENGINEERING DATA

From ionic-liquid@metal–organic framework composites to heteroatom-decorated large-surface area carbons: superior CO2 and H2 uptake

(2014) Arshad Aijaz et al.   CHEMICAL COMMUNICATIONS

Separation of CO2/CH4 through alumina-supported geminal ionic liquid membranes

(2014) N. Shahkaramipour et al.   JOURNAL OF MEMBRANE SCIENCE

Facilitated separation of CO2 and SO2 through supported liquid membranes using carboxylate-based ionic liquids

(2014) Kuan Huang et al.   JOURNAL OF MEMBRANE SCIENCE

Solubility of Gases in a Common Ionic Liquid from Molecular Dynamics Based Free Energy Calculations

(2014) Hongjun Liu et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Impact of H2O on CO2 Separation from Natural Gas: Comparison of Carbon Nanotubes and Disordered Carbon

(2014) Lang Liu et al.   Journal of Physical Chemistry C

Site characteristics in metal organic frameworks for gas adsorption

(2014) Alper Uzun et al.   PROGRESS IN SURFACE SCIENCE

Aromatic sulfur-nitrogen extraction using ionic liquids: Experiments and predictions using ana priorimodel

(2013) Ramalingam Anantharaj et al.   AICHE JOURNAL

Permeability of CO2 through ionic liquid membranes with water vapour at feed and permeate streams

(2013) Yusuke Shimoyama et al.   JOURNAL OF CHEMICAL THERMODYNAMICS

Adsorption of CO2, CH4, and H2O in Zeolite ZSM-5 Studied Using In Situ ATR-FTIR Spectroscopy

(2013) Lindsay Ohlin et al.   Journal of Physical Chemistry C

Molecular Simulation of CO2 Adsorption in the Presence of Water in Single-Walled Carbon Nanotubes

(2013) Lang Liu et al.   Journal of Physical Chemistry C

The Chemistry and Applications of Metal-Organic Frameworks

(2013) H. Furukawa et al.   SCIENCE

CO2 separation applying ionic liquid mixtures: the effect of mixing different anions on gas permeation through supported ionic liquid membranes

(2013) Liliana C. Tomé et al.   RSC Advances

Influence of Ionic Liquid Structure on Supported Ionic Liquid Membranes Effectiveness in Carbon Dioxide/Methane Separation

(2013) Iwona Cichowska-Kopczyńska et al.   Journal of Chemistry

Amino acid ionic liquid-based facilitated transport membranes for CO2 separation

(2012) Shohei Kasahara et al.   CHEMICAL COMMUNICATIONS

How Can a Hydrophobic MOF be Water-Unstable? Insight into the Hydration Mechanism of IRMOFs

(2012) Marta De Toni et al.   CHEMPHYSCHEM

Evaluation of cation-exchanged zeolite adsorbents for post-combustion carbon dioxide capture

(2012) Tae-Hyun Bae et al.   Energy & Environmental Science

Separation of CO2 from the CO2/N2 mixed gas through ionic liquid membranes at the high feed concentration

(2012) Pinyarat Jindaratsamee et al.   JOURNAL OF MEMBRANE SCIENCE

Density and Viscosity of Binary Mixtures of Thiocyanate Ionic Liquids + Water as a Function of Temperature

(2012) U. Domańska et al.   JOURNAL OF SOLUTION CHEMISTRY

Ionic liquids for CO2 capture using COSMO-RS: Effect of structure, properties and molecular interactions on solubility and selectivity

(2011) Kazi Z. Sumon et al.   FLUID PHASE EQUILIBRIA

CO2/N2Selectivity Prediction in Supported Ionic Liquid Membranes (SILMs) by COSMO-RS

(2011) Maria Gonzalez-Miquel et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Ionic Liquid/Metal–Organic Framework Composite for CO2 Capture: A Computational Investigation

(2011) Yifei Chen et al.   Journal of Physical Chemistry C

Carbon Dioxide Capture: Prospects for New Materials

(2010) Deanna M. D'Alessandro et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Computational Study of Hexamethylguanidinium Lactate Ionic Liquid: A Candidate for Natural Gas Sweetening

(2010) Santiago Aparicio et al.   ENERGY & FUELS

Carbon Dioxide Capture Using Ionic Liquid 1-Butyl-3-methylimidazolium Acetate

(2010) Mark B. Shiflett et al.   ENERGY & FUELS

How do polymerized room-temperature ionic liquid membranes plasticize during high pressure CO2 permeation?

(2010) Katja Simons et al.   JOURNAL OF MEMBRANE SCIENCE

Effect of water in ionic liquid on the separation performance of supported ionic liquid membrane for CO2/N2

(2010) Wei Zhao et al.   JOURNAL OF MEMBRANE SCIENCE

Quantitative structure–activity relationships (QSARs) to estimate ionic liquids ecotoxicity EC50 (Vibrio fischeri)

(2010) P. Luis et al.   JOURNAL OF MOLECULAR LIQUIDS

Molecular dynamics simulation study of neon adsorption on single-walled carbon nanotubes

(2010) Masumeh Foroutan et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

PACKMOL: A package for building initial configurations for molecular dynamics simulations

(2009) L. Martínez et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Structural Evidence for the Ordered Crystallites of Ionic Liquid in Confined Carbon Nanotubes

(2009) Kun Dong et al.   Journal of Physical Chemistry C

Volumetric, Transport and Surface Properties of [bmim][MeSO4] and [emim][EtSO4] Ionic Liquids As a Function of Temperature

(2008) Adela Fernández et al.   JOURNAL OF CHEMICAL AND ENGINEERING DATA

Computing the Heat of Adsorption using Molecular Simulations: The Effect of Strong Coulombic Interactions

(2008) T. J. H. Vlugt et al.   Journal of Chemical Theory and Computation

Glass−Liquid Transition, Crystallization, and Melting of a Room Temperature Ionic Liquid: Thin Films of 1-Ethyl-3-methylimidazolium Bis[trifluoromethanesulfonyl]imide Studied with TOF-SIMS

(2008) Ryutaro Souda   JOURNAL OF PHYSICAL CHEMISTRY B

Molecular Simulations for Adsorptive Separation of CO2/CH4Mixture in Metal-Exposed, Catenated, and Charged Metal−Organic Frameworks

(2008) Ravichandar Babarao et al.   LANGMUIR

Improving CO2 selectivity in polymerized room-temperature ionic liquid gas separation membranes through incorporation of polar substituents

(2007) Jason E. Bara et al.   JOURNAL OF MEMBRANE SCIENCE