Céline Houriez

Documents

Publications

	Experimental Measurements and Modeling of Vapor–Liquid Equilibria for Eight Mixtures Containing trans -1-Chloro-3,3,3-trifluoropropene (R1233zd(E)) and 2-Chloro-3,3,3-trifluoropropene (R1233xf) Jamal El Abbadi , Julien Brocus , Alain Valtz , Christophe Coquelet , Houriez Céline Journal of Chemical and Engineering Data, 2023, 68 (9), pp.2316-2331. ⟨10.1021/acs.jced.3c00296⟩ Article dans une revue hal-04197103v1
	Toward the modelling of surface tension of refrigerant mixture based on linear gradient theory Zhiheng Wang , Christophe Coquelet , Houriez Céline , Chieko Kondou International Journal of Refrigeration, 2023, 147, pp.71-84. ⟨10.1016/j.ijrefrig.2022.09.014⟩ Article dans une revue hal-03790555v1
	Densities, viscosities, and diffusivities of loaded and unloaded aqueous CO2/H2S/MDEA mixtures: A molecular dynamics simulation study H. Mert Polat , Casper van der Geest , Frédérick de Meyer , Houriez Céline , Thijs J.H. Vlugt Fluid Phase Equilibria, 2023, 575, pp.113913. ⟨10.1016/j.fluid.2023.113913⟩ Article dans une revue hal-04426380v1
	Solving Chemical Absorption Equilibria using Free Energy and Quantum Chemistry Calculations: Methodology, Limitations, and New Open-Source Software H. Mert Polat , Frédérick de Meyer , Houriez Céline , Othonas Moultos , Thijs Vlugt Journal of Chemical Theory and Computation, 2023, 19 (9), pp.2616-2629. ⟨10.1021/acs.jctc.3c00144⟩ Article dans une revue hal-04426374v1
	Transport Properties of Mixtures of Acid Gases with Aqueous Monoethanolamine Solutions: A Molecular Dynamics Study H. Mert Polat , Frédérick de Meyer , Houriez Céline , Christophe Coquelet , Othonas Moultos Fluid Phase Equilibria, 2023, 564, pp.113587. ⟨10.1016/j.fluid.2022.113587⟩ Article dans une revue hal-03784182v1
	NaCl salts in finite aqueous environments at the fine particle marine aerosol scale Valérie Vallet , Jonathan Coles , Florent Réal , Houriez Céline , Michel Masella ACS Earth and Space Chemistry, 2022, 6 (6), pp.1612-1626. ⟨10.1021/acsearthspacechem.2c00082⟩ Article dans une revue hal-03360947v1
	Vapor pressures and vapor phase compositions of choline chloride urea and choline chloride ethylene glycol deep eutectic solvents from molecular simulation Hirad Salehi , H. Mert Polat , Frédérick de Meyer , Houriez Céline , Christophe Coquelet Journal of Chemical Physics, 2021, 155 (11), pp.114504. ⟨10.1063/5.0062408⟩ Article dans une revue hal-03533192v1
	Ion hydration free energies and water surface potential in water nano drops: The cluster pair approximation and the proton hydration Gibbs free energy in solution Céline Houriez , Florent Réal , Valérie Vallet , Michael Mautner , Michel Masella Journal of Chemical Physics, 2019, 151 (17), pp.174504. ⟨10.1063/1.5109777⟩ Article dans une revue hal-02355191v1
	Experimental measurements and modelling of vapour-liquid equilibrium of 2,3,3,3-tetrafluoropropene (R-1234yf)- pentafluoropropane (R-245cb) system Alain Valtz , Jamal El Abbadi , Christophe Coquelet , Céline Houriez International Journal of Refrigeration, 2019, 107, pp.315-325. ⟨10.1016/j.ijrefrig.2019.07.024⟩ Article dans une revue hal-02297363v1
	Corrigendum to "Vapor-liquid equilibrium and molecular simulation data for carbon dioxide (CO 2 ) + trans-1,3,3,3-tetrafluoroprop-1-ene (R-1234ze(E)) mixture at temperatures from 283.32 to 353.02 K and pressures up to 7.6MPa" Rémi Fauve , Christophe Coquelet , Houriez Céline , Pierre-Arnaud Artola , Elise El Ahmar International Journal of Refrigeration, 2018, 98, ⟨10.1016/j.ijrefrig.2019.05.039⟩ Article dans une revue hal-02184056v1
	Organic ion association in aqueous phase and ab initio -based force fields: The case of carboxylate/ammonium salts Celine Houriez , Valérie Vallet , Florent Réal , Michael Meot-Ner (mautner) , Michel Masella Journal of Chemical Physics, 2017, 147, pp.161720. ⟨10.1063/1.4997996⟩ Article dans une revue hal-01579459v1
	Solvation of the Guanidinium Ion in Pure Aqueous Environments: A Theoretical Study from an "Ab Initio"-Based Polarizable Force Field Celine Houriez , Michael Meot-Ner Mautner , Michel Masella Journal of Physical Chemistry B, 2017, 121 (50), pp.11219--11228. ⟨10.1021/acs.jpcb.7b07874⟩ Article dans une revue hal-02281954v1
	Experimental determination of the critical loci for R-23 + (n-propane or n-hexane) and R-116 + n-propane binary mixtures Mark D. Williams-Wynn , Jamal El Abbadi , Alain Valtz , Elodie Kovacs , Céline Houriez Journal of Chemical Thermodynamics, 2017, 108, pp.84-96. ⟨10.1016/j.JCT.2016.12.021⟩ Article dans une revue hal-01460064v1
	Prediction of thermodynamic properties of refrigerant fluids with a new three-parameter cubic equation of state Christophe Coquelet , Céline Houriez , Jamal El Abbadi International Journal of Refrigeration, 2016, 69, pp.418-436. ⟨10.1016/j.ijrefrig.2016.05.017⟩ Article dans une revue hal-01344174v1
	Isothermal vapor–liquid equilibrium data for the trifluoromethane (R23) + 2,3,3,3-tetrafluoroprop-1-ene (R1234yf) system at temperatures from 254 to 348 K Hakim Madani , Alain Valtz , Fan Zhang , El Abbadi Jamal , Céline Houriez Fluid Phase Equilibria, 2016, ⟨10.1016/j.fluid.2016.02.005⟩ Article dans une revue hal-01305721v1
	Extrapolating Single Organic Ion Solvation Thermochemistry from Simulated Water Nanodroplets Jonathan Coles , Céline Houriez , Michael Mautner , Michel Masella Journal of Physical Chemistry B, 2016, ⟨10.1021/acs.jpcb.6b02486⟩ Article dans une revue hal-01356025v1
	Simulated Solvation of Organic Ions II: Study of Linear Alkylated Carboxylate Ions in Water Nanodrops and in Liquid Water. Propensity for Air/Water Interface and Convergence to Bulk Solvation Properties Celine Houriez , Michael Meot-Ner (mautner) , Michel Masella Journal of Physical Chemistry B, 2015, 119 (36), pp.12094 - 12107. ⟨10.1021/acs.jpcb.5b04556⟩ Article dans une revue hal-01432216v1
	Simulated solvation of organic ions II: Study of linear alkylated Céline Houriez , Meot-Ner Michael , Michel Masella Journal of Physical Chemistry B, 2015, 119, pp.12094-12107. ⟨10.1021/acs.jpcb5b04556⟩ Article dans une revue hal-01254502v1
	Simulated Solvation of Organic Ions: Protonated Methylamines in Water Nanodroplets. Convergence toward Bulk Properties and the Absolute Proton Solvation Enthalpy Houriez Céline , Meot-Ner Michael , Michel Masella Journal of Physical Chemistry B, 2014, 118, pp.6222-6233. ⟨10.1021/jp501630q⟩ Article dans une revue hal-01075877v1
	Importance of a Nonlocal Description of Electron-Electron Interactions in Modeling the Dissociative Adsorption of H-2 on Cu(100) F. Goltl , C. Houriez , Marie Guitou , Gilberte Chambaud , P. Sautet Journal of Physical Chemistry C, 2014, 118 (10), pp.5374-5382. ⟨10.1021/jp4118634⟩ Article dans une revue hal-01076259v1

	Predicting the Vapor-Liquid Equilibrium Curves of CO2 and H2s in Aqueous Blends of Mdea and Piperazine Using Molecular Simulations and Quantum Chemistry Calculations H. Mert Polat , Frédérick de Meyer , Houriez Céline , Othonas Moultos , Thijs Vlugt 2023 AIChE Annual Meeting, Nov 2023, Orlando, United States Communication dans un congrès hal-04426433v1
	To the Determination of Thermodynamic Properties of g3 “C3F7cn - CO2 - O2” Insulating Gas for Electrical Circuit Breaker Driss El Kinaoui , Céline Houriez , Christophe Coquelet , Yannick Kieffel , Thomas Berteloot AiChE 2022, Nov 2022, Phoenix, France Communication dans un congrès hal-03894772v1
	Sodium/halides aqueous droplets in vacuo at the sub micron scale : size, temperature and concentration effects on their structural properties from simulations at the microscopic level. Michel Masella , Vaérie Vallet , Florent Réal , Houriez Céline EGU General Assembly 2022, May 2022, Vienne (AUT), Austria. ⟨10.5194/egusphere-egu22-32⟩ Communication dans un congrès hal-03937630v1
	Predicting the transport properties of acid gases in Aqueous MEA solutions using molecular simulation Christophe Coquelet , H. Mert Polat , Thijs J. H. Vlugt , Othon Moultons , Houriez Céline ESAT 2021-31st European Symposium on Applied Thermodynamics, Jul 2021, Paris, France Communication dans un congrès hal-03547721v1
	Solubility of gases in brine for underground gas storage application: Experimental measurements and modeling, AIChE meeting, (2019). Salaheddine Chabab , Pezhman Ahmadi , Pascal Théveneau , Christophe Coquelet , Antonin Chapoy AIChE Meeting, 2019, Orlando, United States Communication dans un congrès hal-03615520v1
	INVESTIGATION OF THE THERMOPHYSICAL PROPERTIES OF THE R744 + R1234YF BINARY SYSTEM P-A Artola , B Rousseau , J-N Jaubert , Patrice Paricaud , A Chapoy Fifth IIR Conférence on Thermophysical Properties and Transfer Processes of Refrigerants (TPTPR2017), Apr 2017, SEOUL, South Korea. ⟨10.18462/iir.tptpr.2017.0008⟩ Communication dans un congrès hal-01518918v1
	Experimental measurements and predictions of the properties of refrigerant fluids using ab-initio, SAFT-VR Mie and COSMO calculations Julien Glorian , El Abbadi Jamal , Jiri Janecek , Patrice Paricaud , Johnny Deschamps 14th PPEPPD, May 2016, Porto, Portugal Communication dans un congrès hal-01256195v1
	Modeling the phase equilibria of refrigerant fluids with the COSMO-SAC and COSMO-RS approaches. Application to process simulation Patrice Paricaud , Olivier Baudouin , Abdelatif Baba-Ahmed , Jiri Janecek , Celine Houriez European Congress of Chemical Engineering, Sep 2015, NICE, France Communication dans un congrès hal-01250847v1
	Prediction of the physical properties of next-generation refrigerant fluids El Abbadi Jamal , Houriez Celine , F. Zhang , Alain Valtz , Christophe Coquelet 10th European Congress of Chemical Enginnering, Sep 2015, Nice, France Communication dans un congrès hal-01214945v1
	DETERMINATION OF THERMODYNAMIC PROPERTIES OF REFRIGERANTS BY USING MOLECULAR SIMULATION AND EXPERIMENT: APPLICATION TO DEVELOPMENT OF PREDICTIVE THERMODYNAMIC MODELS Christophe Coquelet , Céline Houriez , Jean-Noël Jaubert ICR, Aug 2015, Yokohama, Japan Communication dans un congrès hal-01250894v1
	Spectroscopie de H2 sur une surface métallique Gilberte Chambaud , E. Bernard , C. Houriez , Marie Guitou , A. Mitrushchenkov Journées sur la Dynamique Moléculaire, Nov 2014, SOUSSE, Tunisie Communication dans un congrès hal-01091102v1
	Ro-vibrational spectroscopy in reduced dimensionality of physisorbed H2 molecules on a metallic surface (Ag, Cu) Gilberte Chambaud , Alexander Mitrushchenkov , C. Houriez , Marie Guitou , E. Bernard Workshop HeSSSMe 2014, Pilar de Lara Castells, Oct 2014, Madrid, Spain Communication dans un congrès hal-01081746v1
	Spectroscopy of H2 physisorbed on a Cu(100) surface C. Houriez , Alexander Mitrushchenkov , Marie Guitou , Gilberte Chambaud CODECS- Workshop, Apr 2013, MADRID, Spain Communication dans un congrès hal-00813013v1

	Vapor-Liquid Equilibria of alcohols in Deep Eutectic Solvent: Experimental data and modelling Gabrielly Miyazaki , Elise El Ahmar , Houriez Céline , Carlo Adamo , Christophe Coquelet 32nd European Symposium on Applied Thermodynamics, Jul 2022, Graz, France Poster de conférence hal-03894802v1
	MD of NaCl-water droplets with a polarizable force field Valérie Vallet , Florent Réal , Houriez Céline , Michel Masella RCTF 2022, Jun 2022, Bordeaux, France Poster de conférence hal-03937643v1
	Investigation of the thermophysical properties of binary system CO 2 and Hydro-fluoro-olefins P.-A Artola , B. Rousseau , R Fauve , C. Houriez , E. El Ahmar ESAT 2017, May 2017, Bucarest, Romania Poster de conférence hal-01633874v1
	Investigation of the thermophysical properties of binary system CO2 and Hydro-fluoro-olefins Houriez Céline ESAT 2017, May 2017, Bucarest,, Romania Poster de conférence hal-01636335v1
	All-atom force-fields for short hydrofluoroalkanes Jiri Janecek , Patrice Paricaud , Johnny Deschamps , Houriez Celine 14th PPEPPD, May 2016, Porto, Portugal Poster de conférence hal-01256429v1
	Experimental measurements and predictions of the properties of refrigerant fluids using ab-initio, SAFT-VR Mie and COSMO calculations Julien Glorian , El Abbadi Jamal , Jiri Janececk , Patrice Paricaud , Johnny Deschamps 10th European Congress of Chemical Enginnering, Sep 2015, Nice, France Poster de conférence hal-01260532v1

	Génie des procédés : introduction et fondamentaux Marie Debacq , Alain Gaunand , Houriez Céline Jean-Pierre Dal Pont; Marie Debacq. Les industries de procédés, volume 1, ISTE editions, 2020, 9781784056582 Chapitre d'ouvrage hal-02527728v1

Céline Houriez

Publications

Experimental Measurements and Modeling of Vapor–Liquid Equilibria for Eight Mixtures Containing trans -1-Chloro-3,3,3-trifluoropropene (R1233zd(E)) and 2-Chloro-3,3,3-trifluoropropene (R1233xf)

Toward the modelling of surface tension of refrigerant mixture based on linear gradient theory

Densities, viscosities, and diffusivities of loaded and unloaded aqueous CO2/H2S/MDEA mixtures: A molecular dynamics simulation study

Solving Chemical Absorption Equilibria using Free Energy and Quantum Chemistry Calculations: Methodology, Limitations, and New Open-Source Software

Transport Properties of Mixtures of Acid Gases with Aqueous Monoethanolamine Solutions: A Molecular Dynamics Study

NaCl salts in finite aqueous environments at the fine particle marine aerosol scale

Vapor pressures and vapor phase compositions of choline chloride urea and choline chloride ethylene glycol deep eutectic solvents from molecular simulation

Ion hydration free energies and water surface potential in water nano drops: The cluster pair approximation and the proton hydration Gibbs free energy in solution

Experimental measurements and modelling of vapour-liquid equilibrium of 2,3,3,3-tetrafluoropropene (R-1234yf)- pentafluoropropane (R-245cb) system

Corrigendum to "Vapor-liquid equilibrium and molecular simulation data for carbon dioxide (CO 2 ) + trans-1,3,3,3-tetrafluoroprop-1-ene (R-1234ze(E)) mixture at temperatures from 283.32 to 353.02 K and pressures up to 7.6MPa"

Organic ion association in aqueous phase and ab initio -based force fields: The case of carboxylate/ammonium salts

Solvation of the Guanidinium Ion in Pure Aqueous Environments: A Theoretical Study from an "Ab Initio"-Based Polarizable Force Field

Experimental determination of the critical loci for R-23 + (n-propane or n-hexane) and R-116 + n-propane binary mixtures

Prediction of thermodynamic properties of refrigerant fluids with a new three-parameter cubic equation of state

Isothermal vapor–liquid equilibrium data for the trifluoromethane (R23) + 2,3,3,3-tetrafluoroprop-1-ene (R1234yf) system at temperatures from 254 to 348 K

Extrapolating Single Organic Ion Solvation Thermochemistry from Simulated Water Nanodroplets

Simulated Solvation of Organic Ions II: Study of Linear Alkylated Carboxylate Ions in Water Nanodrops and in Liquid Water. Propensity for Air/Water Interface and Convergence to Bulk Solvation Properties

Simulated solvation of organic ions II: Study of linear alkylated

Simulated Solvation of Organic Ions: Protonated Methylamines in Water Nanodroplets. Convergence toward Bulk Properties and the Absolute Proton Solvation Enthalpy

Importance of a Nonlocal Description of Electron-Electron Interactions in Modeling the Dissociative Adsorption of H-2 on Cu(100)

Predicting the Vapor-Liquid Equilibrium Curves of CO2 and H2s in Aqueous Blends of Mdea and Piperazine Using Molecular Simulations and Quantum Chemistry Calculations

To the Determination of Thermodynamic Properties of g3 “C3F7cn - CO2 - O2” Insulating Gas for Electrical Circuit Breaker

Sodium/halides aqueous droplets in vacuo at the sub micron scale : size, temperature and concentration effects on their structural properties from simulations at the microscopic level.

Predicting the transport properties of acid gases in Aqueous MEA solutions using molecular simulation

Solubility of gases in brine for underground gas storage application: Experimental measurements and modeling, AIChE meeting, (2019).

INVESTIGATION OF THE THERMOPHYSICAL PROPERTIES OF THE R744 + R1234YF BINARY SYSTEM

Experimental measurements and predictions of the properties of refrigerant fluids using ab-initio, SAFT-VR Mie and COSMO calculations

Modeling the phase equilibria of refrigerant fluids with the COSMO-SAC and COSMO-RS approaches. Application to process simulation

Prediction of the physical properties of next-generation refrigerant fluids

DETERMINATION OF THERMODYNAMIC PROPERTIES OF REFRIGERANTS BY USING MOLECULAR SIMULATION AND EXPERIMENT: APPLICATION TO DEVELOPMENT OF PREDICTIVE THERMODYNAMIC MODELS

Spectroscopie de H2 sur une surface métallique

Ro-vibrational spectroscopy in reduced dimensionality of physisorbed H2 molecules on a metallic surface (Ag, Cu)

Spectroscopy of H2 physisorbed on a Cu(100) surface

Vapor-Liquid Equilibria of alcohols in Deep Eutectic Solvent: Experimental data and modelling

MD of NaCl-water droplets with a polarizable force field

Investigation of the thermophysical properties of binary system CO 2 and Hydro-fluoro-olefins

Investigation of the thermophysical properties of binary system CO2 and Hydro-fluoro-olefins

All-atom force-fields for short hydrofluoroalkanes

Experimental measurements and predictions of the properties of refrigerant fluids using ab-initio, SAFT-VR Mie and COSMO calculations

Génie des procédés : introduction et fondamentaux