Amparo Galindo
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Amparo Galindo's Degrees
- PhD Computer Science Complutense University of Madrid
- Masters Artificial Intelligence University of Barcelona
- Bachelors Computer Engineering University of Valencia
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Why Is Amparo Galindo Influential?
(Suggest an Edit or Addition)According to Wikipedia, Amparo Galindo is a Spanish chemist who is Professor of Chemical Engineering at Imperial College London. She is the co-director of the Institute for Molecular Science and Engineering. Her research considers the development of statistical mechanics and simulations to understand industrial processes. She was awarded the 2023 Institution of Chemical Engineers Guggenheim Medal.
Amparo Galindo's Published Works
Number of citations in a given year to any of this author's works
Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author
Published Works
- Carbon capture and storage (CCS): the way forward (2018) (1582)
- An overview of CO2 capture technologies (2010) (1308)
- Statistical associating fluid theory for chain molecules with attractive potentials of variable range (1997) (880)
- Accurate statistical associating fluid theory for chain molecules formed from Mie segments. (2013) (341)
- THE THERMODYNAMICS OF MIXTURES AND THE CORRESPONDING MIXING RULES IN THE SAFT-VR APPROACH FOR POTENTIALS OF VARIABLE RANGE (1998) (252)
- Group contribution methodology based on the statistical associating fluid theory for heteronuclear molecules formed from Mie segments. (2014) (227)
- A group contribution method for associating chain molecules based on the statistical associating fluid theory (SAFT-gamma). (2007) (217)
- SAFT-VRE: Phase Behavior of Electrolyte Solutions with the Statistical Associating Fluid Theory for Potentials of Variable Range (1999) (183)
- SAFT-γ force field for the simulation of molecular fluids. 1. A single-site coarse grained model of carbon dioxide. (2011) (177)
- Developing optimal Wertheim-like models of water for use in Statistical Associating Fluid Theory (SAFT) and related approaches (2006) (152)
- An overview of CO 2 capture technologies (2010) (138)
- Computer-aided molecular design of solvents for accelerated reaction kinetics. (2013) (132)
- Modeling the Fluid Phase Behavior of Carbon Dioxide in Aqueous Solutions of Monoethanolamine Using Transferable Parameters with the SAFT-VR Approach (2010) (130)
- A generalisation of the SAFT-γ group contribution method for groups comprising multiple spherical segments (2008) (127)
- A potential model for methane in water describing correctly the solubility of the gas and the properties of the methane hydrate. (2006) (125)
- Prediction of binary intermolecular potential parameters for use in modelling fluid mixtures (2008) (123)
- SAFT-γ force field for the simulation of molecular fluids: 2. Coarse-grained models of greenhouse gases, refrigerants, and long alkanes. (2013) (120)
- A hierarchical method to integrated solvent and process design of physical CO2 absorption using the SAFT‐γ Mie approach (2015) (113)
- Interfacial tension measurements and modelling of (carbon dioxide + n-alkane) and (carbon dioxide + water) binary mixtures at elevated pressures and temperatures (2010) (113)
- Predicting the High-Pressure Phase Equilibria of Water + n-Alkanes Using a Simplified SAFT Theory with Transferable Intermolecular Interaction Parameters (1996) (109)
- Prediction of Thermodynamic Properties and Phase Behavior of Fluids and Mixtures with the SAFT-γ Mie Group-Contribution Equation of State (2014) (105)
- The A in SAFT: developing the contribution of association to the Helmholtz free energy within a Wertheim TPT1 treatment of generic Mie fluids (2015) (97)
- Predicting the High-Pressure Phase Equilibria of Binary Mixtures of Perfluoro-n-alkanes + n-Alkanes Using the SAFT-VR Approach (1998) (97)
- Recent advances in the use of the SAFT approach in describing electrolytes, interfaces, liquid crystals and polymers (2001) (96)
- Prediction of the Salting-Out Effect of Strong Electrolytes on Water + Alkane Solutions (2003) (95)
- Integrated solvent and process design using a SAFT-VR thermodynamic description: High-pressure separation of carbon dioxide and methane (2011) (87)
- Chapter 8:SAFT Associating Fluids and Fluid Mixtures (2010) (87)
- SAFT-γ force field for the simulation of molecular fluids: 3. Coarse-grained models of benzene and hetero-group models of n-decylbenzene (2012) (86)
- Modelling the fluid phase behaviour of aqueous mixtures of multifunctional alkanolamines and carbon dioxide using transferable parameters with the SAFT-VR approach (2012) (82)
- Transferable SAFT-VR models for the calculation of the fluid phase equilibria in reactive mixtures of carbon dioxide, water, and n-alkylamines in the context of carbon capture. (2011) (77)
- Pseudo hard-sphere potential for use in continuous molecular-dynamics simulation of spherical and chain molecules. (2012) (76)
- Fouling in Crude Oil Preheat Trains: A Systematic Solution to an Old Problem (2011) (76)
- Classical density functional theory for the prediction of the surface tension and interfacial properties of fluids mixtures of chain molecules based on the statistical associating fluid theory for potentials of variable range. (2010) (74)
- Study of the high pressure phase behaviour of CO2+n-alkane mixtures using the SAFT-VR approach with transferable parameters (2002) (73)
- A statistical associating fluid theory for electrolyte solutions (SAFT-VRE) (2001) (68)
- Efficient Screening and Selection of Post-combustion CO2 Capture Solvents (2014) (67)
- Modeling of Strong Electrolytes with ePPC-SAFT up to High Temperatures (2013) (66)
- Application of the SAFT-γ Mie group contribution equation of state to fluids of relevance to the oil and gas industry (2016) (65)
- Modelling of the thermodynamic and solvation properties of electrolyte solutions with the statistical associating fluid theory for potentials of variable range (2014) (64)
- An Examination of the Cloud Curves of Liquid−Liquid Immiscibility in Aqueous Solutions of Alkyl Polyoxyethylene Surfactants Using the SAFT-HS Approach with Transferable Parameters (1998) (64)
- Nematic phase transitions in mixtures of thin and thick colloidal rods. (2004) (62)
- Simultaneous prediction of vapour-liquid and liquid-liquid equilibria (VLE and LLE) of aqueous mixtures with the SAFT-γ group contribution approach (2011) (62)
- Developing intermolecular‐potential models for use with the SAFT‐VR Mie equation of state (2015) (61)
- Examining the Adsorption (Vapor-Liquid Equilibria) of Short-Chain Hydrocarbons in Low-Density Polyethylene with the SAFT-VR Approach (2001) (59)
- A corresponding-states framework for the description of the Mie family of intermolecular potentials (2015) (57)
- Predicting the Phase Equilibria of Mixtures of Hydrogen Fluoride with Water, Difluoromethane (HFC-32), and 1,1,1,2-Tetrafluoroethane (HFC-134a) Using a Simplified SAFT Approach (1997) (57)
- Application of the SAFT-VR density functional theory to the prediction of the interfacial properties of mixtures of relevance to reservoir engineering (2012) (55)
- PREDICTION OF PHASE EQUILIBRIA FOR REFRIGERANT MIXTURES OF DIFLUOROMETHANE(HFC-32), 1,1,1,2-TETRAFLUOROETHANE (HFC-134A), AND PENTAFLUOROETHANE (HFC- 125A) USING SAFT-VR (1998) (55)
- The phase behavior of a binary mixture of rodlike and disclike mesogens: Monte Carlo simulation, theory, and experiment (2003) (50)
- Modeling electrolyte solutions with the SAFT-VR equation using Yukawa potentials and the mean-spherical approximation (2005) (50)
- Computer-aided molecular design and selection of CO2 capture solvents based on thermodynamics, reactivity and sustainability (2016) (48)
- Dynamic modelling of a two-phase thermofluidic oscillator for efficient low grade heat utilization: Effect of fluid inertia (2012) (47)
- Phase equilibria, excess properties, and henry's constants of the water + carbon dioxide binary mixture (2007) (46)
- Thermotropic biaxial liquid crystalline phases in a mixture of attractive uniaxial rod and disk particles. (2008) (45)
- Predicting the High-Pressure Phase Equilibria of Binary Mixtures of n-Alkanes Using the SAFT-VR Approach (1998) (45)
- Modelling of a two-phase thermofluidic oscillator for low-grade heat utilisation: Accounting for irreversible thermal losses (2013) (45)
- Understanding liquid-liquid immiscibility and LCST behaviour in polymer solutions with a Wertheim TPT1 description (2003) (45)
- Modeling and Understanding Closed-Loop Liquid−Liquid Immiscibility in Aqueous Solutions of Poly(ethylene glycol) Using the SAFT-VR Approach with Transferable Parameters (2008) (43)
- Modelling the phase equilibria and excess properties of the water + carbon dioxide binary mixture (2007) (43)
- Interfacial tensions of systems comprising water, carbon dioxide and diluent gases at high pressures: Experimental measurements and modelling with SAFT-VR Mie and square-gradient theory (2016) (43)
- Improved models for the phase behaviour of hydrogen fluoride: chain and ring aggregates in the SAFT approach and the AEOS model (2002) (42)
- Predicting the high-pressure phase equilibria of binary aqueous solutions of 1-butanol, n-butoxyethanol and n-decylpentaoxyethylene ether (C10E5) using the SAFT-HS approach (1998) (42)
- Nematic-nematic phase separation in binary mixtures of thick and thin hard rods: results from Onsager-like theories. (2005) (42)
- Application of a renormalization-group treatment to the statistical associating fluid theory for potentials of variable range (SAFT-VR). (2011) (42)
- Outer approximation algorithm with physical domain reduction for computer-aided molecular and separation process design (2016) (42)
- New types of phase behaviour in binary mixtures of hard rod-like particles (2003) (38)
- Ordering transitions, biaxiality, and demixing in the symmetric binary mixture of rod and plate molecules described with the Onsager theory. (2002) (37)
- The Use of Anisotropic Potentials in Modeling Water and Free Energies of Hydration. (2010) (36)
- Molecules Matter: The Expanding Envelope of Process Design (2014) (36)
- Phase behavior of carbon dioxide mixtures with n-alkanes and n-perfluoroalkanes (2004) (36)
- Development of intermolecular potential models for electrolyte solutions using an electrolyte SAFT-VR Mie equation of state (2016) (36)
- Surface ordering and capillary phenomena of confined hard cut-sphere particles. (2007) (35)
- SAFT-γ Force Field for the Simulation of Molecular Fluids. 5. Hetero-Group Coarse-Grained Models of Linear Alkanes and the Importance of Intramolecular Interactions. (2018) (35)
- Predicting the Solvation of Organic Compounds in Aqueous Environments: From Alkanes and Alcohols to Pharmaceuticals (2017) (35)
- Predicting enhanced absorption of light gases in polyethylene using simplified PC-SAFT and SAFT-VR (2006) (33)
- Understanding the fluid phase behaviour of crude oil: Asphaltene precipitation (2011) (33)
- Experimental and molecular modeling study of the three-phase behavior of (n-decane + carbon dioxide + water) at reservoir conditions. (2011) (33)
- The phase diagram of the two center Lennard-Jones model as obtained from computer simulation and Wertheim's thermodynamic perturbation theory (2003) (32)
- Global fluid phase behavior in binary mixtures of rodlike and platelike molecules (2002) (32)
- A duality-based optimisation approach for the reliable solution of (P, T) phase equilibrium in volume-composition space (2010) (32)
- The role of heat exchange on the behaviour of an oscillatory two-phase low-grade heat engine (2013) (31)
- Working fluid selection for a two-phase thermofluidic oscillator: Effect of thermodynamic properties (2014) (31)
- Application of the generalised SAFT-VR approach for long-ranged square-well potentials to model the phase behaviour of real fluids (2009) (30)
- Modelling the phase and chemical equilibria of aqueous solutions of alkanolamines and carbon dioxide using the SAFT-γ SW group contribution approach (2016) (30)
- The HELD algorithm for multicomponent, multiphase equilibrium calculations with generic equations of state (2012) (30)
- Investigation of the salting out of methane from aqueous electrolyte solutions using computer simulations. (2007) (29)
- Application of the simplex simulated annealing technique to nonlinear parameter optimization for the SAFT-VR equation of state (2005) (29)
- On the optimal design of gas-expanded liquids based on process performance (2014) (29)
- A QM-CAMD approach to solvent design for optimal reaction rates (2017) (29)
- Extending Wertheim’s perturbation theory to the solid phase of Lennard-Jones chains: Determination of the global phase diagram (2002) (29)
- On the equilibrium contact angle of sessile liquid drops from molecular dynamics simulations. (2018) (28)
- The development of unlike induced association-site models to study the phase behaviour of aqueous mixtures comprising acetone, alkanes and alkyl carboxylic acids with the SAFT-g Mie group contribution methodology (2016) (28)
- Phase behavior of symmetric rod-plate mixtures revisited: Biaxiality versus demixing (2002) (27)
- Modelling the effect of methanol, glycol inhibitors and electrolytes on the equilibrium stability of hydrates with the SAFT-VR approach (2012) (27)
- Application of the statistical associating fluid theory for potentials of variable range (SAFT-VR) coupled with renormalisation-group (RG) theory to model the phase equilibria and second-derivative properties of pure fluids (2013) (25)
- Computer simulation study of the global phase behavior of linear rigid Lennard-Jones chain molecules: comparison with flexible models. (2004) (25)
- Integrated solvent and process design for the reactive separation of CO2 from flue gas (2010) (24)
- An approach for simultaneous computer-aided molecular design with holistic sustainability assessment: Application to phase-change CO2 capture solvents (2020) (23)
- Aspects of Asphaltene Aggregation Obtained from Coarse-Grained Molecular Modeling (2015) (23)
- Hybrid QSPR models for the prediction of the free energy of solvation of organic solute/solvent pairs. (2019) (21)
- Chapter 11 - Toward Sustainable Solvent-Based Postcombustion CO2 Capture: From Molecules to Conceptual Flowsheet Design (2015) (20)
- High-temperature vapour–liquid equilibrium for the water–alcohol systems and modeling with SAFT-VR: 1. Water–ethanol (2013) (19)
- Group Contribution Methodologies for the Prediction of Thermodynamic Properties and Phase Behavior in Mixtures (2011) (19)
- Prediction of phase equilibria for binary systems of hydrogen chloride with ethane, propane and n-dodecane (1999) (19)
- Integrated Design of CO2 Capture Processes from Natural Gas (2011) (19)
- Expanding the Applications of the SAFT-γ Mie Group-Contribution Equation of State: Prediction of Thermodynamic Properties and Phase Behavior of Mixtures (2020) (18)
- Computer simulation of the interface between two liquid crystalline phases in rod–plate binary mixtures (2000) (18)
- Experimental and Modeling Study of the Phase Behavior of (Heptane + Carbon Dioxide + Water) Mixtures (2015) (18)
- Experimental and molecular modelling study of the three-phase behaviour of (propane + carbon dioxide + water) at reservoir conditions (2013) (18)
- Global phase behavior of model mixtures of water and n-alkanols (1999) (17)
- Fluid–solid equilibria of flexible and linear rigid tangent chains from Wertheim’s thermodynamic perturbation theory (2003) (16)
- Molecular Engineering of Sustainable Phase-change Solvents: From Digital Design to Scaling-up for CO2 Capture (2020) (16)
- Density functional theory and simulation of the columnar phase of a system of parallel hard ellipsoids with attractive interactions. (2005) (15)
- Study of the solid-liquid-vapour phase equilibria of flexible chain molecules using Wertheim's thermodynamic perturbation theory (2003) (15)
- On the impact of using volume as an independent variable for the solution of P-T fluid-phase equilibrium with equations of state (2014) (14)
- Phase equilibrium of binary mixtures of cyclic ethers + chlorobutane isomers: experimental measurements and SAFT-VR modeling. (2007) (14)
- Anomalous columnar order of charged colloidal platelets. (2012) (14)
- Intermolecular potential model parameters for cyclic ethers and chloroalkanes in the SAFT-VR approach (2007) (13)
- Beyond a heuristic analysis: integration of process and working-fluid design for organic Rankine cycles (2020) (12)
- A study of Wertheim's thermodynamic perturbation theory (TPT1) for associating fluids with dispersive interactions: the importance of the association range (2006) (12)
- Nonequilibrium molecular dynamics simulation of diffusion at the liquid-liquid interface. (2014) (12)
- A comparative study of multi-objective optimization methodologies for molecular and process design (2020) (12)
- Modelling the Fluid Phase Behaviour of Multifunctional Alkanolamines and Carbon Dioxide Using the Saft-? Approach (2013) (12)
- Fluid–fluid coexistence in an athermal colloid–polymer mixture: thermodynamic perturbation theory and continuum molecular-dynamics simulation (2015) (12)
- Evaluation of growers’ efforts to improve the sustainability of olive orchards: Development of the hydroSOStainable index (2019) (12)
- On the use of molecular-based thermodynamic models to assess the performance of solvents for CO2 capture processes: monoethanolamine solutions. (2016) (11)
- Fluid phase stability and equilibrium calculations in binary mixtures: Part I: Theoretical development for non-azeotropic mixtures (2009) (11)
- High-temperature vapour–liquid equilibrium for the (water + alcohol) systems and modelling with SAFT-VR: 2. Water-1-propanol (2013) (11)
- In situ performance verification of geogrid-stabilized aggregate layer: Route-39 El Carbón–Bonito Oriental, Honduras case study (2020) (11)
- Computer Aided Design of Solvent Blends for Hybrid Cooling and Antisolvent Crystallization of Active Pharmaceutical Ingredients (2021) (11)
- Molecular modeling of flexible molecules. Vapor-liquid and fluid-solid equilibria (2004) (10)
- Thermodynamics of ternary mixtures exhibiting tunnel phase behaviour (1997) (10)
- Examining the effect of chain length polydispersity on the phase behavior of polymer solutions with the statistical associating fluid theory (Wertheim TPT1) using discrete and continuous distributions. (2007) (10)
- Fluid phase stability and equilibrium calculations in binary mixtures: Part II: Application to single-point calculations and the construction of phase diagrams (2009) (10)
- Solid–liquid equilibrium using the SAFT-VR equation of state: Solubility of naphthalene and acetic acid in binary mixtures and calculation of phase diagrams (2011) (10)
- Systematic study of the effect of the co-solvent on the performance of amine-based solvents for CO2 capture (2021) (9)
- Chapter 7 - The derivation of size parameters for the SAFT–VR equation of state from quantum mechanical calculations (2006) (9)
- Predictive models for the phase behaviour and solution properties of weak electrolytes: nitric, sulphuric, and carbonic acids. (2020) (8)
- Description of the thermodynamic properties and fluid‐phase behavior of aqueous solutions of linear, branched, and cyclic amines (2021) (8)
- A PHYSICAL ABSORPTION PROCESS FOR THE CAPTURE OF CO 2 FROM CO 2-RICH NATURAL GAS STREAMS (2006) (7)
- Modelling and prediction of the thermophysical properties of aqueous mixtures of choline geranate and geranic acid (CAGE) using SAFT-γ Mie (2019) (7)
- Validation of an absorber model of carbon dioxide capture in an aqueous amine solvent developed based on the SAFT-VR framework (2012) (7)
- Recent Advances in the Use of the SAFT Approach in Describing Electrolytes, Interfaces, Liquid Crystals and Polymers. (2002) (7)
- Phase equilibrium of liquid mixtures: experimental and modeled data using statistical associating fluid theory for potential of variable range approach. (2007) (6)
- Predicting the Fluid-Phase Behavior of Aqueous Solutions of ELP (VPGVG) Sequences Using SAFT-VR. (2017) (6)
- Development of Predictive Models of the Kinetics of a Hydrogen Abstraction Reaction Combining Quantum-Mechanical Calculations and Experimental Data (2017) (6)
- Integrating advanced thermodynamics and process and solvent design for gas separation (2006) (6)
- An investigation of free-energy-averaged (coarse-grained) potentials for fluid adsorption on heterogeneous solid surfaces. (2019) (6)
- Computer-aided Design of Solvent Blends for the Cooling and Anti-solvent Crystallisation of Ibuprofen (2019) (6)
- Intramolecular bonding in a statistical associating fluid theory of ring aggregates (2019) (6)
- Temperature dependence and short-range electrolytic interactions within the e-PPC-SAFT framework (2022) (5)
- Extending the SAFT-γ Mie approach to model benzoic acid, diphenylamine, and mefenamic acid: Solubility prediction and experimental measurement (2021) (5)
- Monte Carlo Molecular Simulation Study of Carbon Dioxide Sequestration into Dry and Wet Calcite Pores Containing Methane (2021) (5)
- Molecular systems engineering (2010) (5)
- High-temperature vapour–liquid equilibrium for ethanol–1-propanol mixtures and modeling with SAFT-VR (2015) (5)
- Molecular theory of the static dielectric constant of dipolar fluids. (2022) (4)
- Integrated Design of a Reactor and a Gas-Expanded Solvent (2011) (4)
- Multi-Objective Computer-Aided Solvent Design for Selectivity and Rate in Reactions (2018) (4)
- Mechanism, kinetics and selectivity of a Williamson ether synthesis: elucidation under different reaction conditions (2021) (4)
- Computer‐Aided Methodologies for the Design of Reaction Solvents (2011) (4)
- New methods for calculating the free energy of charged defects in solid electrolytes (2013) (4)
- Solvent design for a Menschutkin reaction by using CAMD and DFT calculations (2010) (3)
- Design of polyolefin reactor mixtures (2006) (3)
- Toward Sustainable Solvent-Based Postcombustion CO2 Capture (2015) (3)
- Process Systems Engineering: Volume 6: Molecular Systems Engineering (2011) (3)
- A predictive group-contribution framework for the thermodynamic modelling of CO<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline" id="d1e8626" altimg="si413.svg"><mml:msub><mml:mrow /><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:math> absorption in cyclic amines, al (2022) (3)
- A comparison of the performance of multi-objective optimization methodologies for solvent design (2019) (3)
- The Contribution of the Ion–Ion and Ion–Solvent Interactions in a Molecular Thermodynamic Treatment of Electrolyte Solutions (2022) (3)
- Thermodynamics 2013 Conference, Manchester, UK, 3–6 September 2013† (2014) (3)
- Optimal design of post combustion CO2 capture processes based on phase-change solvents (2019) (3)
- Carbon capture and storage: the way forward (2018) (2)
- Validation of a process model of CO2 capture in an aqueous solvent, using an implicit molecular based treatment of the reactions (2013) (2)
- Computer-aided Solvent Mixture Design for the Crystallisation and Isolation of Mefenamic Acid (2020) (2)
- Correction: Modelling and prediction of the thermophysical properties of aqueous mixtures of choline geranate and geranic acid (CAGE) using SAFT-γ Mie (2020) (2)
- A feasibility-based algorithm for Computer Aided Molecular and Process Design of solvent-based separation systems (2016) (2)
- Advanced thermodynamic and processing modelling integration for amine scrubbing in post-combustion CO2 capture (2008) (2)
- Shock modelling in petroleum engineering (1993) (2)
- Modeling the Fluid-Phase Equilibria of Semifluorinated Alkanes and Mixtures of (n-Alkanes + n-Perfluoroalkanes) with the SAFT-γ Mie Group-Contribution Approach (2020) (2)
- On the liquid demixing of water + elastin-like polypeptide mixtures: bimodal re-entrant phase behaviour. (2021) (2)
- Robust algorithms for the calculation of phase equilibrium (2010) (2)
- Classical density functional theory for the prediction of the surface tension and interfacial properties of fluids mixtures of chain molecules within the SAFT-VR approach (2010) (1)
- A heteronuclear group contribution method for associating chain molecules (SAFT-γ) (2008) (1)
- Model-Based Solvent Selection for the Synthesis and Crystallisation of Pharmaceutical Compounds (2022) (1)
- Phase behaviour and pH-solubility profile prediction of aqueous buffered solutions of ibuprofen and ketoprofen (2022) (1)
- Towards the identification of optimal solvents for long chain alkanes with the SAFT equation of state (2003) (1)
- Shock Modeling in Variable Bubble Point Problems of Petroleum Engineering (1991) (1)
- SAFT-γ Force Field for the Simulation of Molecular Fluids 9: Coarse-Grained Models for Polyaromatic Hydrocarbons Describing Thermodynamic, Interfacial, Structural, and Transport Properties (2022) (1)
- Prediction of thermodynamics and fluid-phase behaviour of aqueous solutions of linear, branched, and cyclic amines (2020) (1)
- Foreword: Modeling and Simulation of Real Systems (2014) (1)
- An approach for simultaneous computer-aided solvent design and process design for CO2 chemical absorption processes (2021) (1)
- Daan Frenkel — An entropic career (2018) (0)
- INVITED ARTICLE Fluid-fluid coexistence in an athermal colloid-polymer mixture: thermodynamic perturbation theory and continuum molecular-dynamics simulation (2015) (0)
- Enabling the direct solution of challenging computer-aided molecular and process design problems: Chemical absorption of carbon dioxide (2023) (0)
- Uncovering the Most Kinetically Influential Reaction Pathway Driving the Generation of HCN from Oxyma/DIC Adduct: A Theoretical Study (2023) (0)
- Prediction of Thermophysical Properties of Deep Eutectic Solvents Using the SAFT-γ Mie Group-Contribution Equation of State (2018) (0)
- Thermodynamics 2019 Conference–Punta Umbría, Costa de la Luz, Huelva, Spain, 26–28 June 2019 (2020) (0)
- Predicting the anomalous temperature dependence of n-alkanes in aqueous solution using SAFT-VR approach (2001) (0)
- Understanding the fluid phase equilibria in n-alkanes - polyethylene systems (2001) (0)
- Modelling the Liquid Phase Behaviour of Aqueous Non-Ionic Amphiphilic Mixtures in the Presence of Oil and Salt Modelled with SAFT-VRE (2009) (0)
- The Development of a Molecular Systems Engineering Approach to the Design of Carbon-capture Solvents (2017) (0)
- Modelling the solid–liquid–vapour phase behaviour of n-alkanes in a TPT-1 framework (2023) (0)
- Simultaneous prediction of phase behaviour and second derivative properties with a group contribution approach (SAFT-γ Mie) (2011) (0)
- Preface (2020) (0)
- Fluid Phase Equilibria Modelling the phase and chemical equilibria of aqueous solutions of alkanolamines and carbon dioxide using the SAFT- (cid:2) SW group contribution approach (2015) (0)
- Predicting the salting out of alkanes in aqueous solutions with strong electrolytes (2002) (0)
- Supporting Information For Computer-Aided Molecular Design and Selection of CO 2 Capture Solvents Considering Thermodynamics , Reactivity and Sustainability (2016) (0)
- Measurement & Prediction of Phase Behaviour of Carbon Dioxide Mixtures (2008) (0)
- Special issue in honour of Michael L. Klein FRS (2021) (0)
- Robust algorithms for the calculation of phase (2010) (0)
- Extending the Capability of the SAFT-γ Mie Group Contribution Approach (2018) (0)
- Development of Screening Model for Evaluating Soil Remediation Technologies (2010) (0)
- Integrated Modeling of Mixture Fluid Phase Equilibrium Experiments Using SAFT-VR Applied to Xenon + Diborane, Xenon + Cyclopropane, Xenon + Boron Trifluoride (2009) (0)
- Influence of Tie-Molecules and Microstructure on the Fluid Solubility in Semicrystalline Polymers (2022) (0)
- Solubility of water in mixtures of (n-alkanes + n-perfluoroalkanes) and in n-perfluoroalkylalkanes: experiments and modelling with the SAFT-γ Mie group-contribution approach (2021) (0)
- Multi-objective optimization of equation of state molecular parameters: SAFT-VR Mie models for water (2022) (0)
- Unit of Assessment: 12 Aeronautical, Mechanical, Chemical and Manufacturing Engineering Title of case study: 14. Advanced thermodynamic modelling for complex fluids (2013) (0)
- 8. Integrated Design of CO2 Capture Processes from Natural Gas (2014) (0)
- Nanodrop contact angles from molecular dynamics simulations (2016) (0)
- Comparison of the Cahn-Hilliard-Navier-Stokes and Molecular Dynamics Approaches for the Simulation of Droplet Coalescence and Wetting Phenomena (2016) (0)
- Fluid–fluid coexistence in an athermal colloid–polymer mixture: thermodynamic perturbation theory and continuum molecular-dynamics simulation (2015) (0)
- High-temperature vapour-liquid equilibrium for alcohol binary mixtures and modeling with SAFT-VR : 1 . Ethanol-1-propanol (2014) (0)
- Global Phase Behaviour of the Mie Family of Intermolecular Potentials and Its Use in Molecular Modelling of Real Substances (2012) (0)
- Prediction of Interfacial Properties of Binary Mixtures with a Density Functional Theory Based on the SAFT-VR Equation of State (2009) (0)
- Outer approximation algorithm with physical domain (2016) (0)
- Towards Unified Thermodynamic Modeling of Fluids in Carbonate Reservoir Environments (2015) (0)
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