Atomistic modeling toward high-efficiency carbon capture: A brief survey with a few illustrative examples
出版年份 2013 全文链接
标题
Atomistic modeling toward high-efficiency carbon capture: A brief survey with a few illustrative examples
作者
关键词
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出版物
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
Volume 114, Issue 3, Pages 163-175
出版商
Wiley
发表日期
2013-11-15
DOI
10.1002/qua.24579
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- (2013) Jihan Kim et al. Nature Communications
- Modelling carbon dioxide solubility in ionic liquids
- (2012) Soheil Mortazavi-Manesh et al. CANADIAN JOURNAL OF CHEMICAL ENGINEERING
- Diffusion in porous crystalline materials
- (2012) Rajamani Krishna CHEMICAL SOCIETY REVIEWS
- Toward a Small Molecule, Biomimetic Carbonic Anhydrase Model: Theoretical and Experimental Investigations of a Panel of Zinc(II) Aza-Macrocyclic Catalysts
- (2012) Lucas Koziol et al. INORGANIC CHEMISTRY
- Predicting Large CO2 Adsorption in Aluminosilicate Zeolites for Postcombustion Carbon Dioxide Capture
- (2012) Jihan Kim et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- In silico screening of carbon-capture materials
- (2012) Li-Chiang Lin et al. NATURE MATERIALS
- Atomistic modeling of CO2 capture in primary and tertiary amines – Heat of absorption and density changes
- (2011) A. Maiti et al. CHEMICAL PHYSICS LETTERS
- 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
- Understanding the Physical Absorption of CO2in Ionic Liquids Using the COSMO-RS Method
- (2011) Jose Palomar et al. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
- CO2/N2Selectivity Prediction in Supported Ionic Liquid Membranes (SILMs) by COSMO-RS
- (2011) Maria Gonzalez-Miquel et al. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
- Validation and Prediction of the Temperature-Dependent Henry's Constant for CO2–Ionic Liquid Systems Using the Conductor-like Screening Model for Realistic Solvation (COSMO-RS)
- (2011) Yamini Sudha Sistla et al. JOURNAL OF CHEMICAL AND ENGINEERING DATA
- 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
- Doping of Alkali, Alkaline-Earth, and Transition Metals in Covalent-Organic Frameworks for Enhancing CO2 Capture by First-Principles Calculations and Molecular Simulations
- (2010) Jianhui Lan et al. ACS Nano
- Carbon Dioxide Capture: Prospects for New Materials
- (2010) Deanna M. D'Alessandro et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- The refined e-NRTL model applied to CO2–H2O–alkanolamine systems
- (2010) Erik T. Hessen et al. CHEMICAL ENGINEERING SCIENCE
- Molecular dynamics simulations of imidazolium-based ionic liquid/water mixtures: Alkyl side chain length and anion effects
- (2010) Shulu Feng et al. FLUID PHASE EQUILIBRIA
- Prediction of the Basicity of Aqueous Amine Solutions and the Species Distribution in the Amine−H2O−CO2System Using the COSMO-RS Method
- (2010) Hidetaka Yamada et al. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
- In silico screening of zeolite membranes for CO2 capture
- (2010) Rajamani Krishna et al. JOURNAL OF MEMBRANE SCIENCE
- Molecular Simulation Studies of Separation of CO2/N2, CO2/CH4, and CH4/N2 by ZIFs
- (2010) Bei Liu et al. Journal of Physical Chemistry C
- Molecular Design of High Capacity, Low Viscosity, Chemically Tunable Ionic Liquids for CO2 Capture
- (2010) B. Gurkan et al. Journal of Physical Chemistry Letters
- Equimolar CO2Absorption by Anion-Functionalized Ionic Liquids
- (2010) Burcu E. Gurkan et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Carbon Capture by Fossil Fuel Power Plants: An Economic Analysis
- (2010) Özge İşlegen et al. MANAGEMENT SCIENCE
- Using molecular simulation to characterise metal–organic frameworks for adsorption applications
- (2009) Tina Düren et al. CHEMICAL SOCIETY REVIEWS
- Enhanced CO2Adsorption in Metal-Organic Frameworks via Occupation of Open-Metal Sites by Coordinated Water Molecules
- (2009) A. Özgür Yazaydın et al. CHEMISTRY OF MATERIALS
- Theoretical Screening of Ionic Liquid Solvents for Carbon Capture
- (2009) Amitesh Maiti ChemSusChem
- In Silico Prediction of Molecular Volumes, Heat Capacities, and Temperature-Dependent Densities of Ionic Liquids
- (2009) Ulrich P. R. M. Preiss et al. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
- A DFT study on the carbamates formation through the absorption of CO2 by AMP
- (2009) Mohamed Ismael et al. International Journal of Greenhouse Gas Control
- Describing the Diffusion of Guest Molecules Inside Porous Structures
- (2009) Rajamani Krishna Journal of Physical Chemistry C
- 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
- Comparative Molecular Simulation Study of CO2/N2and CH4/N2Separation in Zeolites and Metal−Organic Frameworks
- (2009) Bei Liu et al. LANGMUIR
- Investigating Cluster Formation in Adsorption of CO2, CH4, and Ar in Zeolites and Metal Organic Frameworks at Subcritical Temperatures
- (2009) Rajamani Krishna et al. LANGMUIR
- Amine Scrubbing for CO2 Capture
- (2009) G. T. Rochelle SCIENCE
- Screening of ionic liquids to capture CO2by COSMO-RS and experiments
- (2008) Xiaochun Zhang et al. AICHE JOURNAL
- Molecular Simulations of Zeolites: Adsorption, Diffusion, and Shape Selectivity
- (2008) Berend Smit et al. CHEMICAL REVIEWS
- Exceptionally high CO2 storage in covalent-organic frameworks: Atomistic simulation study
- (2008) Ravichandar Babarao et al. Energy & Environmental Science
- Simulation of Enthalpy and Capacity of CO2Absorption by Aqueous Amine Systems
- (2008) Nichola McCann et al. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
- Online NMR Spectroscopic Study of Species Distribution in MDEA−H2O−CO2and MDEA−PIP−H2O−CO2
- (2008) Wolfram Böttinger et al. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
- High temperature separation of carbon dioxide/hydrogen mixtures using facilitated supported ionic liquid membranes
- (2008) Christina Myers et al. JOURNAL OF MEMBRANE SCIENCE
- The upper bound revisited
- (2008) Lloyd M. Robeson JOURNAL OF MEMBRANE SCIENCE
- Atomistic Simulation of the Absorption of Carbon Dioxide and Water in the Ionic Liquid 1-n-Hexyl-3-methylimidazolium Bis(trifluoromethylsulfonyl)imide ([hmim][Tf2N]
- (2008) Wei Shi et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Separation of CO2from CH4Using Mixed-Ligand Metal−Organic Frameworks
- (2008) Youn-Sang Bae et al. LANGMUIR
- Molecular Screening of Metal−Organic Frameworks for CO2Storage
- (2008) Ravichandar Babarao et al. LANGMUIR
- Solvent screening for a hard-to-dissolve molecular crystal
- (2008) A. Maiti et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Improving CO2permeability in polymerized room-temperature ionic liquid gas separation membranes through the formation of a solid composite with a room-temperature ionic liquid
- (2008) Jason E. Bara et al. POLYMERS FOR ADVANCED TECHNOLOGIES
- Online NMR spectroscopic study of species distribution in MEA–H2O–CO2 and DEA–H2O–CO2
- (2007) Wolfram Böttinger et al. FLUID PHASE EQUILIBRIA
- Understanding Inflections and Steps in Carbon Dioxide Adsorption Isotherms in Metal-Organic Frameworks
- (2007) Krista S. Walton et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
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