标题
Predictive molecular thermodynamic models for ionic liquids
作者
关键词
-
出版物
AICHE JOURNAL
Volume -, Issue -, Pages -
出版商
Wiley
发表日期
2022-01-07
DOI
10.1002/aic.17575
参考文献
相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。- Neural recommender system for the activity coefficient prediction and UNIFAC model extension of ionic liquid‐solute systems
- (2021) Guzhong Chen et al. AICHE JOURNAL
- Natural Gas Dehydration with Ionic-Liquid-Based Mixed Solvents
- (2021) Chengmin Gui et al. ACS Sustainable Chemistry & Engineering
- Integrated ionic liquid and rate‐based absorption process design for gas separation: Global optimization using hybrid models
- (2021) Xiang Zhang et al. AICHE JOURNAL
- Tetrathiocyanatocobaltate and bis(trifluoromethylsulfonyl)imide-based ionic liquids as mass agents in the separation of cyclohexane and cyclohexene mixtures by homogeneous extractive distillation
- (2021) Miguel Ayuso et al. JOURNAL OF CHEMICAL THERMODYNAMICS
- Transformer-convolutional neural network for surface charge density profile prediction: Enabling high-throughput solvent screening with COSMO-SAC
- (2021) Guzhong Chen et al. CHEMICAL ENGINEERING SCIENCE
- Systematic screening of bifunctional ionic liquid for intensifying esterification of methyl heptanoate in the reactive extraction process
- (2021) Ruizhuan Wang et al. CHEMICAL ENGINEERING SCIENCE
- Computer-aided molecular design of solvents for chemical separation processes
- (2021) Shiyang Chai et al. Current Opinion in Chemical Engineering
- Extension of the COSMO-UNIFAC Thermodynamic Model
- (2020) Ruisong Zhu et al. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
- A Benchmark Open-Source Implementation of COSMO-SAC
- (2020) Ian H. Bell et al. Journal of Chemical Theory and Computation
- Screening Deep Eutectic Solvents for CO2 Capture With COSMO-RS
- (2020) Yanrong Liu et al. Frontiers in Chemistry
- UNIFAC Model for Ionic Liquids. 2. Revision and Extension
- (2020) Yichun Dong et al. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
- Prediction of toxicity of Ionic Liquids based on GC-COSMO method
- (2020) Daili Peng et al. JOURNAL OF HAZARDOUS MATERIALS
- Prediction of CO2 solubility in ionic liquids using machine learning methods
- (2020) Zhen Song et al. CHEMICAL ENGINEERING SCIENCE
- Liquid-liquid equilibrium for n-hexane + benzene + sulfolane, + 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([EMIM][NTf2]), + 1-ethyl-3-methylimidazolium ethylsulfate ([EMIM][EtSO4]) and + the mixtures of [EMIM][NTf2] and [EMIM][EtSO4]
- (2020) Yicang Guo et al. FLUID PHASE EQUILIBRIA
- Multilevel screening of ionic liquid absorbents for simultaneous removal of CO2 and H2S from natural gas
- (2020) Jingwen Wang et al. SEPARATION AND PURIFICATION TECHNOLOGY
- Highly efficient capture of odorous sulfur-based VOCs by ionic liquids
- (2020) Ruinian Xu et al. JOURNAL OF HAZARDOUS MATERIALS
- Rational design of double salt ionic liquids as extraction solvents: Separation of thiophene/ n ‐octane as example
- (2019) Zhen Song et al. AICHE JOURNAL
- Structural effect on the vapor-liquid equilibrium of toluene-ionic liquid systems
- (2019) Gangqiang Yu et al. CHEMICAL ENGINEERING SCIENCE
- Capturing methanol and dimethoxymethane gases with ionic liquids
- (2019) Hongkang Zhao et al. FUEL
- Capturing volatile ester compounds from gas mixture with ionic liquids
- (2019) Zhigang Lei et al. JOURNAL OF MOLECULAR LIQUIDS
- Computer-aided reaction solvent design based on transition state theory and COSMO-SAC
- (2019) Qilei Liu et al. CHEMICAL ENGINEERING SCIENCE
- COSMO‐UNIFAC model for ionic liquids
- (2019) Yichun Dong et al. AICHE JOURNAL
- Extending the UNIFAC model for ionic liquid–solute systems by combining experimental and computational databases
- (2019) Zhen Song et al. AICHE JOURNAL
- An open and extensible sigma-profile database for COSMO-based models
- (2018) F. Ferrarini et al. AICHE JOURNAL
- CO2 capture by methanol, ionic liquid, and their binary mixtures: Experiments, modeling, and process simulation
- (2018) Mohsen Taheri et al. AICHE JOURNAL
- Modified UNIFAC-Lei Model for Ionic Liquid–CH4 Systems
- (2018) Gangqiang Yu et al. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
- Measurement and correlation of ternary phase equilibrium of (hexane + ethyl acetate) with four ILs
- (2018) Guilin Wen et al. JOURNAL OF CHEMICAL THERMODYNAMICS
- Vapor pressure measurements and predictions for the binary systems containing ionic liquid [EMIM][BF 4 ] and formic acid/acetic acid
- (2018) Chengna Dai et al. JOURNAL OF MOLECULAR LIQUIDS
- Prediction of the solubility of carbon dioxide in imidazolium based ionic liquids using the modified scaled particle theory
- (2018) Azar Akbari et al. JOURNAL OF MOLECULAR LIQUIDS
- Computer-aided design and process evaluation of ionic liquids for n -hexane-methylcyclopentane extractive distillation
- (2018) He Chao et al. SEPARATION AND PURIFICATION TECHNOLOGY
- Application of COSMO-RS and UNIFAC for ionic liquids based gas separation
- (2018) Xinyan Liu et al. CHEMICAL ENGINEERING SCIENCE
- Capturing Condensable Gases with Ionic Liquids
- (2018) Gangqiang Yu et al. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
- Air-drying with ionic liquids
- (2018) Gangqiang Yu et al. AICHE JOURNAL
- A United Chemical Thermodynamic Model: COSMO-UNIFAC
- (2018) Yichun Dong et al. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
- Integrating COSMO-Based σ-Profiles with Molecular and Thermodynamic Attributes to Predict the Life Cycle Environmental Impact of Chemicals
- (2018) Raul Calvo-Serrano et al. ACS Sustainable Chemistry & Engineering
- Natural Gas Dehydration with Ionic Liquids
- (2017) Gangqiang Yu et al. ENERGY & FUELS
- Solubility of carbon dioxide and hydrogen sulfide in the ionic liquid 1-butyl-3-methylimidazolium trifluoromethanesulfonate
- (2017) Amir H. Jalili et al. FLUID PHASE EQUILIBRIA
- Comprehensive Assessment of COSMO-SAC Models for Predictions of Fluid-Phase Equilibria
- (2017) Robin Fingerhut et al. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
- The COSMO and COSMO-RS solvation models
- (2017) Andreas Klamt Wiley Interdisciplinary Reviews-Computational Molecular Science
- Effect of cation alkyl chain length on liquid-liquid equilibria of {ionic liquids + thiophene + heptane}: COSMO-RS prediction and experimental verification
- (2016) Zhen Song et al. FLUID PHASE EQUILIBRIA
- Prediction of cyclohexane-water distribution coefficients with COSMO-RS on the SAMPL5 data set
- (2016) Andreas Klamt et al. JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
- Process intensification on the separation of benzene and thiophene by extractive distillation
- (2015) Jingli Han et al. AICHE JOURNAL
- Screening of ionic liquids for CO2 capture using the COSMO-SAC model
- (2015) Bong-Seop Lee et al. CHEMICAL ENGINEERING SCIENCE
- A Priori Prediction of Dissociation Phenomena and Phase Behaviors of Ionic Liquids
- (2015) Bong-Seop Lee et al. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
- Selection of Imidazolium-Based Ionic Liquids for Vitamin E Extraction from Deodorizer Distillate
- (2015) Lei Qin et al. ACS Sustainable Chemistry & Engineering
- UNIFAC model for ionic liquid-CO (H2) systems: An experimental and modeling study on gas solubility
- (2014) Zhigang Lei et al. AICHE JOURNAL
- Extractive distillation with ionic liquids: A review
- (2014) Zhigang Lei et al. AICHE JOURNAL
- Simulation based ionic liquid screening for benzene–cyclohexane extractive separation
- (2014) Zhaoxian Lyu et al. CHEMICAL ENGINEERING SCIENCE
- Present status of the modified UNIFAC model for the prediction of phase equilibria and excess enthalpies for systems with ionic liquids
- (2014) Torben Hector et al. FLUID PHASE EQUILIBRIA
- Comment on “An Improvement to COSMO-SAC for Predicting Thermodynamic Properties”
- (2014) Andreas Klamt INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
- An Improvement to COSMO-SAC for Predicting Thermodynamic Properties
- (2014) Ruichang Xiong et al. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
- Experimental Measurement and Modeling of Phase Diagrams of Binary Systems Encountered in the Gasoline Desulfurization Process Using Ionic Liquids
- (2014) Yushu Chen et al. JOURNAL OF CHEMICAL AND ENGINEERING DATA
- Measurement and correlation of vapour pressures of pyridine and thiophene with [EMIM][SCN] ionic liquid
- (2014) Asma Khelassi-Sefaoui et al. JOURNAL OF CHEMICAL THERMODYNAMICS
- UNIFAC model for ionic liquid-CO2systems
- (2013) Zhigang Lei et al. AICHE JOURNAL
- Predicting methods for sulfur removal from model oils using COSMO-RS and partition coefficient
- (2013) Cecilia Devi Wilfred et al. CHEMICAL ENGINEERING SCIENCE
- Gas Solubility in Ionic Liquids
- (2013) Zhigang Lei et al. CHEMICAL REVIEWS
- Measurements of activity coefficients at infinite dilution in vegetable oils and capric acid using the dilutor technique
- (2013) Patrícia C. Belting et al. FLUID PHASE EQUILIBRIA
- Prediction of Phase Behaviors of Polymer–Solvent Mixtures from the COSMO-SAC Activity Coefficient Model
- (2013) Yu-Ching Kuo et al. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
- Prediction of different thermodynamic properties for systems of alcohols and sulfate-based anion Ionic Liquids using modified UNIFAC
- (2012) Torben Hector et al. FLUID PHASE EQUILIBRIA
- An Overview of Mutual Solubility of Ionic Liquids and Water Predicted by COSMO-RS
- (2012) Teng Zhou et al. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
- Deep Separation of Benzene from Cyclohexane by Liquid Extraction Using Ionic Liquids as the Solvent
- (2012) Teng Zhou et al. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
- Ionic liquids as ingredients in topical drug delivery systems
- (2012) Dorota Dobler et al. INTERNATIONAL JOURNAL OF PHARMACEUTICS
- 1-Ethyl-3-methylimidazolium Dicyanamide as a Very Efficient Entrainer for the Extractive Distillation of the Acetone + Methanol System
- (2012) A. Vicent Orchillés et al. JOURNAL OF CHEMICAL AND ENGINEERING DATA
- Thermodynamic Properties of Binary Mixtures of Water and Room-Temperature Ionic Liquids: Vapor Pressures, Heat Capacities, Densities, and Viscosities of Water + 1-Ethyl-3-methylimidazolium Acetate and Water + Diethylmethylammonium Methane Sulfonate
- (2012) Christiane Römich et al. JOURNAL OF CHEMICAL AND ENGINEERING DATA
- Selective oxidation of cyclohexanol to cyclohexanone in the ionic liquid 1-octyl-3-methylimidazolium chloride
- (2011) Long Chen et al. CHEMICAL COMMUNICATIONS
- Measurement and correlation of solubility of carbon dioxide in 1-alkyl-3-methylimidazolium hexafluorophosphate ionic liquids
- (2011) Ji Eun Kim et al. FLUID PHASE EQUILIBRIA
- A predictive model for the excess gibbs free energy of fully dissociated electrolyte solutions
- (2010) Meng-Ting Hsieh et al. AICHE JOURNAL
- Improvements of COSMO-SAC for vapor–liquid and liquid–liquid equilibrium predictions
- (2010) Chieh-Ming Hsieh et al. FLUID PHASE EQUILIBRIA
- Liquid–liquid equilibrium in ternary ionic liquid systems by UNIFAC: New volume, surface area and interaction parameters. Part I
- (2010) Rílvia S. Santiago et al. FLUID PHASE EQUILIBRIA
- Thermodynamic modeling of CO2 solubility in ionic liquid with heterosegmented statistical associating fluid theory
- (2010) Xiaoyan Ji et al. FLUID PHASE EQUILIBRIA
- Measurements of different thermodynamic properties of systems containing ionic liquids and correlation of these properties using modified UNIFAC (Dortmund)
- (2010) Silke Nebig et al. FLUID PHASE EQUILIBRIA
- Modeling ionic liquids and the solubility of gases in them: Recent advances and perspectives
- (2010) Lourdes F. Vega et al. FLUID PHASE EQUILIBRIA
- Liquid–liquid equilibrium in ternary ionic liquid systems by UNIFAC: New volume, surface area and interaction parameters. Part II
- (2010) Rílvia S. Santiago et al. FLUID PHASE EQUILIBRIA
- Prediction of phase equilibria and excess properties for systems with ionic liquids using modified UNIFAC: Typical results and present status of the modified UNIFAC matrix for ionic liquids
- (2010) Silke Nebig et al. FLUID PHASE EQUILIBRIA
- Prediction of the Phase Behavior of Ionic Liquid Solutions
- (2010) Li Yang et al. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
- Group contribution prediction of surface charge density distribution of molecules for COSMO-SAC
- (2009) Tiancheng Mu et al. AICHE JOURNAL
- Thermodynamic modeling of ionic liquid density with heterosegmented statistical associating fluid theory
- (2009) Xiaoyan Ji et al. CHEMICAL ENGINEERING SCIENCE
- UNIFAC Model for Ionic Liquids
- (2009) Zhigang Lei et al. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
- Selective Separation of Tocopherol Homologues by Liquid−Liquid Extraction Using Ionic Liquids
- (2009) Qiwei Yang et al. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
- Guide to CO2Separations in Imidazolium-Based Room-Temperature Ionic Liquids
- (2009) Jason E. Bara et al. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
- Application of a group contribution equation of state for the thermodynamic modeling of the binary systems CO2–1-butyl-3-methyl imidazolium nitrate and CO2–1-hydroxy-1-propyl-3-methyl imidazolium nitrate
- (2009) M.D. Bermejo et al. JOURNAL OF SUPERCRITICAL FLUIDS
- Measurement and correlation of vapor pressure of benzene and thiophene with [BMIM][PF6] and [BMIM][BF4] ionic liquids
- (2008) Yan Huo et al. FLUID PHASE EQUILIBRIA
- Measurement and prediction of activity coefficients at infinite dilution (γ∞), vapor–liquid equilibria (VLE) and excess enthalpies (HE) of binary systems with 1,1-dialkyl-pyrrolidinium bis(trifluoromethylsulfonyl)imide using mod. UNIFAC (Dortmund)
- (2008) Silke Nebig et al. FLUID PHASE EQUILIBRIA
- Sigma Profile Database for Predicting Solid Solubility in Pure and Mixed Solvent Mixtures for Organic Pharmacological Compounds with COSMO-Based Thermodynamic Methods
- (2008) Eric Mullins et al. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
- Interpretation of CO2Solubility and Selectivity in Nitrile-Functionalized Room-Temperature Ionic Liquids Using a Group Contribution Approach
- (2008) Trevor K. Carlisle et al. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
- Correlations of Low-Pressure Carbon Dioxide and Hydrocarbon Solubilities in Imidazolium-, Phosphonium-, and Ammonium-Based Room-Temperature Ionic Liquids. Part 1. Using Surface Tension
- (2007) Prem K. Kilaru et al. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
- Correlations of Low-Pressure Carbon Dioxide and Hydrocarbon Solubilities in Imidazolium-, Phosphonium-, and Ammonium-Based Room-Temperature Ionic Liquids. Part 2. Using Activation Energy of Viscosity
- (2007) Prem K. Kilaru et al. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
Publish scientific posters with Peeref
Peeref publishes scientific posters from all research disciplines. Our Diamond Open Access policy means free access to content and no publication fees for authors.
Learn MoreAsk a Question. Answer a Question.
Quickly pose questions to the entire community. Debate answers and get clarity on the most important issues facing researchers.
Get Started