Céline Houriez

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Publications

Impact of extreme ultraviolet radiation on the scintillation of pure and xenon-doped liquid argon

P Agnes , Q Berger , M Bomben , Marco Campestrini , M Caravati et al.

Physical Review D, 2025, 111 (10), pp.10. ⟨10.1103/PhysRevD.111.102001⟩

Article dans une revue hal-04769755v1

The phase equilibrium behavior of icy bodies' surface mixtures: The simulation of the methane + acetonitrile system on Titan

Marco Campestrini , Nicolas Gassies , Céline Houriez , Michel Masella , Paolo Stringari

Icarus, 2025, 429, pp.116460. ⟨10.1016/j.icarus.2025.116460⟩

Article dans une revue hal-05453445v1
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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
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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 et al.

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
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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 et al.

Fluid Phase Equilibria, 2023, 564, pp.113587. ⟨10.1016/j.fluid.2022.113587⟩

Article dans une revue hal-03784182v1
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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 et al.

The Journal of Chemical Physics, 2021, 155 (11), pp.114504. ⟨10.1063/5.0062408⟩

Article dans une revue hal-03533192v1
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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

The Journal of Chemical Physics, 2019, 151 (17), pp.174504. ⟨10.1063/1.5109777⟩

Article dans une revue hal-02355191v1
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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
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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 et al.

International Journal of Refrigeration, 2018, 98, ⟨10.1016/j.ijrefrig.2019.05.039⟩

Article dans une revue hal-02184056v1
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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 et al.

Journal of Chemical Thermodynamics, 2017, 108, pp.84-96. ⟨10.1016/j.JCT.2016.12.021⟩

Article dans une revue hal-01460064v1

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

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

The Journal of Chemical Physics, 2017, 147, pp.161720. ⟨10.1063/1.4997996⟩

Article dans une revue hal-01579459v1
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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
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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 et al.

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
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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

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

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

Introduction to molecular simulation: application to fluid phase equilibria

Houriez Céline , Michel Masella

JEEP 2025 : Journées d’étude des équilibres entre phases 2025, Mar 2025, Paris, France

Communication dans un congrès hal-05454810v1

Development and implementation of a new crucible for pressurized samples in a commercial DSC

Nicolas Gassies , Marco Campestrini , Houriez Céline , Paolo Stringari

54èmes Journées de Calorimetrie et d’Analyse Thermique, Jun 2024, Clermont-Ferrand, France

Communication dans un congrès hal-04821994v1

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 et al.

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 et al.

AIChE Meeting, 2019, Orlando, United States

Communication dans un congrès hal-03615520v1
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INVESTIGATION OF THE THERMOPHYSICAL PROPERTIES OF THE R744 + R1234YF BINARY SYSTEM

P-A Artola , B Rousseau , J-N Jaubert , Patrice Paricaud , A Chapoy et al.

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 et al.

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 et al.

European Congress of Chemical Engineering, Sep 2015, NICE, France

Communication dans un congrès hal-01250847v1
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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

Prediction of the physical properties of next-generation refrigerant fluids

El Abbadi Jamal , Houriez Celine , F. Zhang , Alain Valtz , Christophe Coquelet et al.

10th European Congress of Chemical Enginnering, Sep 2015, Nice, France

Communication dans un congrès hal-01214945v1

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
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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
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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

Phase equilibrium behavior of the acetonitrile + methane system, application to planetary science and methane transportation

Nicolas Gassies , Marco Campestrini , Houriez Céline , Paolo Stringari

33rd European Symposium on Applied Thermodynamics, Jun 2024, Edinburgh, United Kingdom

Poster de conférence hal-04821996v1

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
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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
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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 et al.

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 et al.

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