Céline Houriez

Publications

Article dans une revue (22)

Impact of extreme ultraviolet radiation on the scintillation of pure and xenon-doped liquid argon P Agnes,Q Berger,M Bomben,Marco Campestrini,M Caravatiet 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
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
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
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. Vlugtet 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
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 Moultoset al. 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 Coqueletet al. The 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 The 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 &quot;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 Ahmaret al. International Journal of Refrigeration, 2018, 98, ⟨10.1016/j.ijrefrig.2019.05.039⟩ Article dans une revue hal-02184056v1
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 Houriezet 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 &quot;Ab Initio&quot;-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
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 Houriezet al. Fluid Phase Equilibria, 2016, ⟨10.1016/j.fluid.2016.02.005⟩ Article dans une revue hal-01305721v1
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
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
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

Communication dans un congrès (15)

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 Célineet 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 Chapoyet al. 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 Chapoyet 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 Deschampset 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 Houriezet al. European Congress of Chemical Engineering, Sep 2015, NICE, France Communication dans un congrès hal-01250847v1
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 Coqueletet 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
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

Poster de conférence (7)

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
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 Ahmaret 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 Deschampset al. 10th European Congress of Chemical Enginnering, Sep 2015, Nice, France Poster de conférence hal-01260532v1

Chapitre d'ouvrage (1)

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