Green solvent screening using modeling and simulation |
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| Authors: | María González-Miquel Ismael Díaz |
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| Affiliation: | Dpto. Ingeniería Química Industrial y del Medio Ambiente, ETSI Industriales, Universidad Politécnica de Madrid, C/ José Gutiérrez Abascal 2, Madrid, Spain |
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| Abstract: | |
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| Keywords: | Computer-aided solvent screening Green solvents COSMO Separation processes Reactive systems Thermodynamic properties Environmental properties AHA-ILs" },{" #name" :" keyword" ," $" :{" id" :" kwrd0050" }," $$" :[{" #name" :" text" ," _" :" Ionic Liquids with Aprotic Heterocyclic Anions ANN" },{" #name" :" keyword" ," $" :{" id" :" kwrd0060" }," $$" :[{" #name" :" text" ," _" :" Artificial Neural Networks BSs" },{" #name" :" keyword" ," $" :{" id" :" kwrd0070" }," $$" :[{" #name" :" text" ," _" :" Bio-based Solvents CAMD" },{" #name" :" keyword" ," $" :{" id" :" kwrd0080" }," $$" :[{" #name" :" text" ," _" :" Computer-Aided Molecular Design COSMO" },{" #name" :" keyword" ," $" :{" id" :" kwrd0090" }," $$" :[{" #name" :" text" ," _" :" Conductor-like Screening Model COSMO-RS" },{" #name" :" keyword" ," $" :{" id" :" kwrd0100" }," $$" :[{" #name" :" text" ," _" :" Conductor-like Screening Model for Real Solvents COSMO-SAC" },{" #name" :" keyword" ," $" :{" id" :" kwrd0110" }," $$" :[{" #name" :" text" ," _" :" Conductor-like Screening Model Segment Activity Coefficient CSM" },{" #name" :" keyword" ," $" :{" id" :" kwrd0120" }," $$" :[{" #name" :" text" ," _" :" Continuum Solvation Model DFT" },{" #name" :" keyword" ," $" :{" id" :" kwrd0130" }," $$" :[{" #name" :" text" ," _" :" Density Functional Theory EHS" },{" #name" :" keyword" ," $" :{" id" :" kwrd0140" }," $$" :[{" #name" :" text" ," _" :" Environment Health and Safety ERM" },{" #name" :" keyword" ," $" :{" id" :" kwrd0150" }," $$" :[{" #name" :" text" ," _" :" Enhanced Replacement Method ESs" },{" #name" :" keyword" ," $" :{" id" :" kwrd0160" }," $$" :[{" #name" :" text" ," _" :" Eutectic Solvents GC" },{" #name" :" keyword" ," $" :{" id" :" kwrd0170" }," $$" :[{" #name" :" text" ," _" :" Group Contribution ILs" },{" #name" :" keyword" ," $" :{" id" :" kwrd0180" }," $$" :[{" #name" :" text" ," _" :" Ionic Liquids LCA" },{" #name" :" keyword" ," $" :{" id" :" kwrd0190" }," $$" :[{" #name" :" text" ," _" :" Life Cycle Assessment LLE" },{" #name" :" keyword" ," $" :{" id" :" kwrd0200" }," $$" :[{" #name" :" text" ," _" :" Liquid - Liquid Equilibria MINLP" },{" #name" :" keyword" ," $" :{" id" :" kwrd0210" }," $$" :[{" #name" :" text" ," _" :" Mixed-Integer Non-Linear Programming MLP" },{" #name" :" keyword" ," $" :{" id" :" kwrd0220" }," $$" :[{" #name" :" text" ," _" :" Multi-Layer Perceptron MLR" },{" #name" :" keyword" ," $" :{" id" :" kwrd0230" }," $$" :[{" #name" :" text" ," _" :" Multi-Linear Regression NRTL" },{" #name" :" keyword" ," $" :{" id" :" kwrd0240" }," $$" :[{" #name" :" text" ," _" :" Non-Random Two-Liquid PC-SAFT" },{" #name" :" keyword" ," $" :{" id" :" kwrd0250" }," $$" :[{" #name" :" text" ," _" :" Perturbed-Chain Statistical Associating Fluid Theory QC" },{" #name" :" keyword" ," $" :{" id" :" kwrd0260" }," $$" :[{" #name" :" text" ," _" :" Quantum Chemistry QC-CSM" },{" #name" :" keyword" ," $" :{" id" :" kwrd0270" }," $$" :[{" #name" :" text" ," _" :" Quantum Chemistry based Continuum Solvation Model QSAR" },{" #name" :" keyword" ," $" :{" id" :" kwrd0280" }," $$" :[{" #name" :" text" ," _" :" Quantitative Structure–Activity Relationship QSPR" },{" #name" :" keyword" ," $" :{" id" :" kwrd0290" }," $$" :[{" #name" :" text" ," _" :" Quantitative Structure–Property Relationship REACH" },{" #name" :" keyword" ," $" :{" id" :" kwrd0300" }," $$" :[{" #name" :" text" ," _" :" Registration Evaluation Authorization and Restriction of Chemicals Rev-ILs" },{" #name" :" keyword" ," $" :{" id" :" kwrd0310" }," $$" :[{" #name" :" text" ," _" :" Reversible Ionic Liquids TMS" },{" #name" :" keyword" ," $" :{" id" :" kwrd0320" }," $$" :[{" #name" :" text" ," _" :" Thermomorphic Multicomponent System ZIs" },{" #name" :" keyword" ," $" :{" id" :" kwrd0330" }," $$" :[{" #name" :" text" ," _" :" Zwitterions |
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