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Multiscale Conceptual Design of a Scalable and Sustainable Process to Dissolve and Regenerate Keratin from Chicken Feathers

Industrial & engineering chemistry research, 2023-08, Vol.62 (34), p.13324-13339

2023

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Density and Molar Volume Predictions Using COSMO-RS for Ionic Liquids. An Approach to Solvent Design

Industrial & engineering chemistry research, 2007-08, Vol.46 (18), p.6041-6048

2007

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An Insight into the Molecular Electronic Structure of Graphene Oxides and Their Interactions with Molecules of Different Polarities Using Quantum Chemical and COSMO-RS Calculations

Molecules (Basel, Switzerland), 2024-08, Vol.29 (16), p.3839

2024

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Simulation and Optimization of the CWPO Process by Combination of Aspen Plus and 6-Factor Doehlert Matrix: Towards Autothermal Operation

Catalysts, 2020-05, Vol.10 (5), p.548

2020

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Toward Sustainability of the Aqueous Phase Reforming of Wastewater: Heat Recovery and Integration

Applied sciences, 2022-10, Vol.12 (20), p.10424

2022

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Absorption refrigeration cycles based on ionic liquids: Refrigerant/absorbent selection by thermodynamic and process analysis

Applied energy, 2018-03, Vol.213, p.179-194

2018

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Ionic Liquid MixturesAn Analysis of Their Mutual Miscibility

The journal of physical chemistry. B, 2014-03, Vol.118 (9), p.2442-2450

2014

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Stripping Columns to Regenerate Ionic Liquids and Selectively Recover Hydrocarbons Avoiding Vacuum Conditions

Industrial & engineering chemistry research, 2019-11, Vol.58 (44), p.20370-20380

2019

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Energy and economic analysis of alternatives for the valorization of hydrogen rich stream produced in the aqueous phase reforming of pyrolysis bio-oil aqueous fraction

Bioresource technology, 2024-05, Vol.399, p.130572-130572, Article 130572

2024

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Interactions of Ionic Liquids and Acetone: Thermodynamic Properties, Quantum-Chemical Calculations, and NMR Analysis

The journal of physical chemistry. B, 2013-06, Vol.117 (24), p.7388-7398

2013

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Development of an a Priori Ionic Liquid Design Tool. 1. Integration of a Novel COSMO-RS Molecular Descriptor on Neural Networks

Industrial & engineering chemistry research, 2008-07, Vol.47 (13), p.4523-4532

2008

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Removal of Pemetrexed from aqueous phase using activated carbons in static mode

Chemical engineering journal (Lausanne, Switzerland : 1996), 2021-02, Vol.405, p.127016, Article 127016

2021

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Development of an a Priori Ionic Liquid Design Tool. 2. Ionic Liquid Selection through the Prediction of COSMO-RS Molecular Descriptor by Inverse Neural Network

Industrial & engineering chemistry research, 2009-02, Vol.48 (4), p.2257-2265

2009

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Automation in the simulation of processes with Aspen HYSYS: An academic approach

Computer applications in engineering education, 2023-03, Vol.31 (2), p.376-388

2023

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A COSMO-RS based guide to analyze/quantify the polarity of ionic liquids and their mixtures with organic cosolvents

Physical chemistry chemical physics : PCCP, 2010-01, Vol.12 (8), p.1991-2000

2010

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Structural models of the keratin derivatives. An approach to its solubility and processability

Computational and theoretical chemistry, 2024-11, Vol.1241, p.114850, Article 114850

2024

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Computational Approach to Nuclear Magnetic Resonance in 1-Alkyl-3-methylimidazolium Ionic Liquids

The journal of physical chemistry. B, 2007-01, Vol.111 (1), p.168-180

2007

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COSMO-based/Aspen Plus process simulation of the aromatic extraction from pyrolysis gasoline using the {[4empy][NTf2] + [emim][DCA]} ionic liquid mixture

Separation and purification technology, 2018, Vol.190, p.211-227

2018

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Structural Modulation of the Dipolar−Octupolar Contributions to the NLO Response in Subphthalocyanines

The journal of physical chemistry. B, 2005-03, Vol.109 (9), p.3800-3806

2005

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Prediction of non-ideal behavior of polarity/polarizability scales of solvent mixtures by integration of a novel COSMO-RS molecular descriptor and neural networks

Physical chemistry chemical physics : PCCP, 2008-01, Vol.10 (39), p.5967-5975

2008

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Optimized ionic liquids for toluene absorption

AIChE journal, 2013-05, Vol.59 (5), p.1648-1656

2013

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Molecular and Thermodynamic Properties of Zwitterions versus Ionic Liquids: A Comprehensive Computational Analysis to Develop Advanced Separation Processes

Chemphyschem, 2018-04, Vol.19 (7), p.801-815

2018

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Subphthalocyanine-Fused Dimers and Trimers: Synthetic, Electrochemical, and Theoretical Studies

Journal of organic chemistry, 2007-04, Vol.72 (8), p.2967-2977

2007

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Statistical Refinement and Fitting of Experimental Viscosity-to-Temperature Data in Ionic Liquids

Industrial & engineering chemistry research, 2014-06, Vol.53 (25), p.10475-10484

2014

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Molecular and Thermodynamic Properties of Zwitterions versus Ionic Liquids: A Comprehensive Computational Analysis to Develop Advanced Separation Processes

Chemphyschem, 2018-04, Vol.19 (7), p.794-794

2018

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Multiscale Conceptual Design of a Scalable and Sustainable Process to Dissolve and Regenerate Keratin from Chicken Feathers

Density and Molar Volume Predictions Using COSMO-RS for Ionic Liquids. An Approach to Solvent Design

An Insight into the Molecular Electronic Structure of Graphene Oxides and Their Interactions with Molecules of Different Polarities Using Quantum Chemical and COSMO-RS Calculations

Simulation and Optimization of the CWPO Process by Combination of Aspen Plus and 6-Factor Doehlert Matrix: Towards Autothermal Operation

Toward Sustainability of the Aqueous Phase Reforming of Wastewater: Heat Recovery and Integration

Absorption refrigeration cycles based on ionic liquids: Refrigerant/absorbent selection by thermodynamic and process analysis

Ionic Liquid MixturesAn Analysis of Their Mutual Miscibility

Stripping Columns to Regenerate Ionic Liquids and Selectively Recover Hydrocarbons Avoiding Vacuum Conditions

Energy and economic analysis of alternatives for the valorization of hydrogen rich stream produced in the aqueous phase reforming of pyrolysis bio-oil aqueous fraction

Interactions of Ionic Liquids and Acetone: Thermodynamic Properties, Quantum-Chemical Calculations, and NMR Analysis

Development of an a Priori Ionic Liquid Design Tool. 1. Integration of a Novel COSMO-RS Molecular Descriptor on Neural Networks

Removal of Pemetrexed from aqueous phase using activated carbons in static mode

Development of an a Priori Ionic Liquid Design Tool. 2. Ionic Liquid Selection through the Prediction of COSMO-RS Molecular Descriptor by Inverse Neural Network

Automation in the simulation of processes with Aspen HYSYS: An academic approach

A COSMO-RS based guide to analyze/quantify the polarity of ionic liquids and their mixtures with organic cosolvents

Structural models of the keratin derivatives. An approach to its solubility and processability

Computational Approach to Nuclear Magnetic Resonance in 1-Alkyl-3-methylimidazolium Ionic Liquids

COSMO-based/Aspen Plus process simulation of the aromatic extraction from pyrolysis gasoline using the {[4empy][NTf2] + [emim][DCA]} ionic liquid mixture

Structural Modulation of the Dipolar−Octupolar Contributions to the NLO Response in Subphthalocyanines

Prediction of non-ideal behavior of polarity/polarizability scales of solvent mixtures by integration of a novel COSMO-RS molecular descriptor and neural networks

Optimized ionic liquids for toluene absorption

Molecular and Thermodynamic Properties of Zwitterions versus Ionic Liquids: A Comprehensive Computational Analysis to Develop Advanced Separation Processes

Subphthalocyanine-Fused Dimers and Trimers: Synthetic, Electrochemical, and Theoretical Studies

Statistical Refinement and Fitting of Experimental Viscosity-to-Temperature Data in Ionic Liquids

Molecular and Thermodynamic Properties of Zwitterions versus Ionic Liquids: A Comprehensive Computational Analysis to Develop Advanced Separation Processes

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