Posterlist – PPEPPD - International Conference on Properties and Phase Equilibria for Product and Process Design

List of posters

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Code	Title
P 1.01	Thermophysical Properties of Polymer Melts with Dissolved Blowing Agents by Optical Techniques Poster Polymers J. Jander Presenter Friedrich-Alexander-Universität Erlangen-Nürnberg (FAU)P. Schmidt Friedrich-Alexander-Universität Erlangen-Nürnberg (FAU)T. Klein Friedrich-Alexander-Universität Erlangen-Nürnberg (FAU)A. Fröba Friedrich-Alexander-Universität Erlangen-Nürnberg (FAU)
P 1.02	Impact of average centrifugation-molecular weight on the polymer molecular weight distribution (MWD) curve Poster Polymers A. AL JABERI Presenter IFP Energies NouvellesA. WENDER IFP Energies NouvellesN. FERRANDO IFP Energies NouvellesW. YAN Technical University of Denmark (DTU)J. DEHEMPTINNE IFP Energies Nouvelles
P 1.03	Modelling of shear induced mixing behaviour of polymer blends Poster Polymers J. Jaske Presenter Karlsruhe Institute of Technology (KIT)S. Enders KIT - Karlsruher Institut für Technologie
P 1.04	Inferring equilibrium and pseudo-equilibrium pVT properties of super-glassy polymers from gas solubility data Poster Polymers R. Parchi Presenter University of BolognaM. Minelli University of BolognaG. Pangia University of BolognaF. Doghieri University of Bologna
P 1.05	Transport of a comb-like polymer across a nanochannel subject to a pulling force Poster Polymers M. Adane Tegbaru Presenter Addis Ababa UniversityT. Yergou B Addis Ababa UniversityM. Tilahun Addis Ababa Science and Technology University
P 1.06	Combined Physics-Based and Data-Driven Modelling of Mixed-Gas Solubility in Polymer Separation Membranes Poster Polymers E. Ricci Presenter University of EdinburghE. Husom SINTEF
P 1.07	Influence of molecular architecture and semicrystalline morphology on gas solubility in polyethylene Poster Polymers S. Leube Presenter Karlsruher Institut für Technologie (KIT)M. Fischlschweiger TU ClausthalS. Enders KIT - Karlsruher Institut für Technologie
P 1.08	Temperature Dependence of Solubility of Polyethylene in Various Solvents: A Systematic Study for Solvent-based Recycling Poster Polymers J. Yin Presenter Technical University of Munich
P 1.09	Modelling the solubility of semi-crystalline polyethylene in organic and bioderived solvents using SAFT-γ Mie EoS for plastic recycling Poster Polymers R. Standish Presenter Imperial College LondonJ. Yin Technical University of MunichJ. Burger Technical University of MunichM. Minceva Technical University of MunichG. Jackson Imperial College LondonA. Galindo Imperial College LondonC. Adjiman Imperial College London
P 1.10	PEG/Citrate ATPS: From LLE to the complete phase diagram Poster Polymers R. Gómez-Pineda Universidade de Santiago de CompostelaA. Soto Universidade de Santiago de CompostelaO. Rodríguez Presenter Universidade de Santiago de Compostela
P 1.11	Recovery of Fish Protein by Aqueous Two-Phase Extraction Poster Polymers R. Gómez-Pineda Universidade de Santiago de CompostelaA. Soto Universidade de Santiago de CompostelaO. Rodríguez Presenter Universidade de Santiago de Compostela
P 10.01	Introduction and comparison of three strategies - group contributions, machine learning and hybridization with COSMO-RS - to make the Peng-Robinson model predictive Poster COSMO F. Paes University of LorraineR. Privat Presenter University of LorraineJ. Jaubert University of Lorraine
P 10.02	Estimating Parameters of SAFT-γ Mie Equation of State Using COSMO-SAC Generated Data Poster COSMO S. Naseri Boroujeni Presenter Imperial College LondonG. Seth Imperial College LondonA. Galindo Imperial College LondonG. Jackson Imperial College LondonC. Adjiman Imperial College London
P 10.03	Extension of openCOSMO-RS for conformer ensembles: conformer equilibrium and its effects on thermodynamic equilibria predictions Poster COSMO J. Otárola-Sepúlveda Presenter Technical University of MunichM. Minceva Technical University of MunichM. Stahn University of BonnS. Müller Hamburg University of TechnologyI. Smirnova Hamburg University of Technology
P 10.04	Improved reverse engineering based on phase equilibria prediction for CO₂ capture by integrating deep learning to COSMO-RS Poster COSMO E. Parascandolo Presenter Laboratoire de Chimie Agro-industrielle, Toulouse-INPV. Gerbaud Laboratoire de Génie Chimique, Toulouse-INPS. Thiebaud-Roux Laboratoire de Chimie Agro-industrielle, Toulouse-INPI. Rodriguez-Donis Laboratoire de Chimie Agro-industrielle, Toulouse-INP
P 10.05	Comparison of UNIFAC-LLE and COSMO-SAC Models for Liquid-Liquid Equilibria Predictions of Produced Water from Oil Systems Poster COSMO E. Lima Presenter Rio de Janeiro State UniversityC. Silveira Federal University of Santa MariaH. Ferraz Federal University of Rio de JaneiroS. Weschenfelder Petrobras
P 11.01	The potential of using porous solid matrices for the separation of sulphur hexafluoride Poster Adsorption A. Pereiro Presenter NOVA School of Science and TechnologyJ. Sosa NOVA School of Science and TechnologyJ. Araújo NOVA School of Science and Technology
P 11.02	Confinement Effects in Mesopores Studied by Molecular Dynamics Simulations Poster Adsorption M. Högler Presenter University of StuttgartH. Kraus University of StuttgartN. Hansen University of Stuttgart
P 11.03	A Simple Model for Film Pressure to Accurately Estimate Low Contact Angles Between Liquids and Smooth Solid Poster Adsorption A. Roosta Presenter LUT UniversityN. Rezaei LUT University
P 11.04	On the effect of confinement on reversible chemical reactions Poster Adsorption I. Pereira Presenter Federal University of Rio de JaneiroI. Segtovich Federal University of Rio de JaneiroH. Pacheco Federal University of Rio de JaneiroM. Castier Texas A&M University at QatarF. Tavares Federal University of Rio de Janeiro
P 11.05	Advanced Direct Air Capture Membranes: Combining Ionic Liquid Mixtures with Nanoceramic Layers Poster Adsorption T. Makino Presenter National Institute of Advanced Industrial Science and TechnologyY. Kohno National Institute of Advanced Industrial Science and TechnologyY. Kanasaki National Institute of Advanced Industrial Science and TechnologyT. Fujii National Institute of Advanced Industrial Science and Technology
P 11.06	Fast and accurate adsorption calculation using the GPU-accelerated classical density functional theory for high-throughput screening and process modelling of paraffin/olefin separation Poster Adsorption T. Teh Presenter University of StuttgartR. Stierle University of StuttgartN. Hansen University of StuttgartJ. Gross University of Stuttgart
P 12.01	Unusuall Surface Properties for the mixture of water + acetic acid Poster Aqueoes Systems F. Brettschneider-Lazaro Presenter KIT - Karlsruher Institut für TechnologieS. Enders KIT - Karlsruher Institut für Technologie
P 12.02	Modeling the Solubility of Pharmaceutical Drug solutions with the SAFT-γ Mie Approach Poster Aqueoes Systems S. Paliwal Presenter Imperial College LondonA. Alyazidi Imperial College LondonT. Bernet Imperial College LondonA. Haslam Imperial College LondonG. Jackson Imperial College LondonA. Galindo Imperial College London
P 12.03	Thermodynamic Modeling of Electrolyte Solutions for All-Vanadium Redox Flow Batteries Poster Aqueoes Systems J. Heiß Presenter RPTU KaiserslauternM. Kohns RPTU Kaiserslautern
P 12.04	A Thermodynamic Based Approach for Modeling Solubility and Phase Behavior in Complex Cocrystal Systems Poster Aqueoes Systems S. Nasrallah Presenter Technische Universität München (TUM)
P 12.05	Calorimetric analysis of aqueous alcohol solutions up to 450 MPa. Poster Aqueoes Systems J. Troncoso Presenter
P 12.06	Computational screening for novel aqueous amine solvents for carbon capture Poster Aqueoes Systems E. Tsochantaris Presenter Heriot-Watt UniversityK. Nehil-Puleo Vanderbilt UniversityP. Cummings Heriot-Watt UniversityC. McCabe Heriot-Watt University
P 12.07	Comparison of Thermodynamic Modelling with Different Approaches of the Biomolecule Ionic interactions in Solutions of Two- and Three-Basic Amino Acids, their Salts and Derivatives Poster Aqueoes Systems J. Tsurko Presenter University of Regensburg, GermanyW. Kunz University of Regensburg, Germany
P 12.08	Hydrotreatment of vegetable oils to produce green fuels: Phase equilibria and volumetric properties Poster Aqueoes Systems P. Hegel Presenter PLAPIQUIF. Sánchez PLAPIQUIN. Cotabarren PLAPIQUIS. Pereda PLAPIQUIE. Brignole PLAPIQUI
P 12.09	Extractive Separation of Acetoin from Water for Subsequent Hydrogenation to 2,3-Butanediol Poster Aqueoes Systems P. Förster Presenter RWTH Aachen University
P 12.10	Molecular mechanisms behind the Liquid-Liquid Equilibrium of Switchable Hydrophobicity Solvents: the case of 2-ethyl hexanoic acid – water – NaOH Poster Aqueoes Systems T. Traini Presenter Technical University of MunichM. Minceva Technical University of Munich
P 12.11	Introduction of the Two-State of water in SAFT and extension to aqueous mixtures Poster Aqueoes Systems N. Novak Presenter DTU X. Liang DTU G. Kontogeorgis DTU
P 12.12	Thermodynamic Hydrate Formation in Gas-Water Systems in Gas-Dominant: Comparative Assessment of Equation of State Models Poster Aqueoes Systems M. M. dos Santos Federal University of Rio de JaneiroI. S. V. Segtovich Federal University of Rio de JaneiroI. Oliveira Presenter Federal University of Rio de JaneiroF. W. Tavares Federal University of Rio de Janeiro
P 12.13	Synthesis and Characterization of the Choline-Amino Acid Ionic Liquids [Ch][Ala], [Ch][Glu] and [Ch][Threo] in Aqueous Binary Mixtures Poster Aqueoes Systems P. Velho Presenter University of PortoR. Oliveira University of PortoE. Macedo University of Porto
P 12.14	Anomalous pressure–density relations and speed of sound in bubbly water systems Poster Aqueoes Systems J. Prelesnik University of MinnesotaJ. Chen University of MinnesotaK. Mahesh University of MinnesotaJ. Siepmann Presenter University of Minnesota
P 12.15	Impact of Aqueous Protein on Air Incorporation of Whipped Creams Poster Aqueoes Systems S. Mellsop Presenter Fonterra
P 12.16	Thermodynamics of Ice–Solution Equilibrium Leveraging a New Correlation for Liquid Water Properties at Low Temperatures (200–300 K) and High Pressures (0.1–400 MPa) Poster Aqueoes Systems J. Grenke University of AlbertaJ. Elliott Presenter University of Alberta
P 12.17	Molecular simulation study on the formation of CH4 hydrate in the porous water with the presence of mesoporous metal-organic framework MIL-101 Poster Aqueoes Systems Z. He Presenter China University of GeosciencesF. Ning China University of GeosciencesJ. Jiang National University of Singapore
P 12.18	Molecular Modelling and Prediction of the Physicochemical Properties of Polyols in Aqueous Solution Poster Aqueoes Systems M. Fontenele Presenter Institut PascalV. Dumouilla RoquetteB. Boit RoquetteC. Dussap Institut Pascal
P 12.19	From numerical chemistry tools to the prediction of water activity in complex aqueous solutions containing polyols and salts Poster Aqueoes Systems V. Dumouilla Presenter RoquetteC. Dussap Université Clermont AuvergneB. Boit RoquetteM. Fontenele Université Clermont Auvergne
P 12.20	Physical properties of hybrid nanoparticles synthesized by supercritical water Poster Aqueoes Systems N. Yang Tohoku UniversityM. Ota Presenter Tohoku UniversityH. Inomata Tohoku UniversityR. Smith Tohoku UniversityM. Watanabe Tohoku University
P 12.21	Development of polarizable and hydration-focused water models for the Martini 3 force field Poster Aqueoes Systems A. Mussi Luz Presenter Federal University of Rio de JaneiroC. Luciane Manske Camargo Federal University of Rio de JaneiroF. Wanderley Tavares Federal University of Rio de Janeiro
P 12.22	Easy and Sustainable Way to Separate Ionic Liquids Mixture: Electrolyte PC-SAFT Modeling of the Liquid-Liquid Equilibrium Poster Aqueoes Systems F. Yang Presenter École Normale Supérieure de LyonB. R. de Moraes École Normale Supérieure de LyonR. Ando Universidade de São PauloM. Costa Gomes École Normale Supérieure de LyonA. Padua École Normale Supérieure de Lyon
P 13.01	Comparison of Electrolyte Equations of State from different Software to Represent Phase Equilibria and Thermodynamic Properties of Aqueous and Mixed-Solvent Electrolyte Solutions Poster Electrolytes A. Vinhal Presenter Technical University of DenmarkN. Novak Technical University of DenmarkO. Perederic Technical University of DenmarkX. Liang Technical University of DenmarkG. Kontogeorgis Technical University of Denmark
P 13.02	Interaction balance – a new classification for electrolyte solutions Poster Electrolytes G. Silva Presenter Technical University of DenmarkX. Liang Technical University of DenmarkG. Kontogeorgis Technical University of Denmark
P 13.03	Comparative analysis of the role of d-value and ion-pairing in electrolyte SAFT-VR Mie equation of state Poster Electrolytes Z. Zhou Presenter Technical University of DenmarkN. Novak Technical University of DenmarkG. M. Kontogeorgis Technical University of DenmarkX. Liang Technical University of Denmark
P 13.04	Some recent investigations on the Debye-Hückel theory Poster Electrolytes X. Liang Presenter Technical University of DenmarkG. Kontogeorgis Technical University of Denmark
P 13.05	Ionic Liquid Microenvironment Regulation and Electrolyte Applications Poster Electrolytes F. Huo Presenter
P 13.06	Meet the Editors of Journal of Chemical & Engineering Data (JCED) Poster Electrolytes J. Siepmann Presenter University of Minnesota
P 13.07	Evaluation of derivative properties by various thermodynamic models for polar compounds Poster Electrolytes J. Amanabadi Presenter Technical University of DenmarkX. Liang Technical University of DenmarkG. M. Kontogeorgis Technical University of Denmark
P 13.08	Interfacial Map for Type II and Type IIa for Lennard-Jones Binary Mixtures Poster Electrolytes F. Figueroa Universidad de ConcepcionG. Alonso Universidad de ConcepcionA. Mejia Presenter Universidad de Concepcion
P 13.09	Evaluation of Excess Surface Tensions for Binary and Ternary Systems Using ASOG Group Contribution Model Poster Electrolytes K. Tochigi Presenter Nihon UniversityH. Matsuda Nihon UniversityT. Tsuji Universiti Teknologi Malaysia, Kuala LumpurK. Kurihara Nihon University
P 13.10	New interpretation of NMR relaxation response from MD simulations: Material properties and MRI contrast agents Poster Electrolytes T. Pinheiro dos Santos Rice UniversityA. Valiya Parambathu University of DelawareD. Asthagiri Oak Ridge National LaboratoryP. Singer Rice UniversityG. Hirasaki Rice UniversityW. Chapman Presenter Rice University
P 13.11	NMR Fingerprinting and Thermodynamic Modeling of Poorly Specified Mixtures Poster Electrolytes J. Wagner Presenter RPTU KaiserslauternZ. Romero RPTU KaiserslauternT. Specht RPTU KaiserslauternK. Münnemann RPTU KaiserslauternH. Hasse RPTU KaiserslauternF. Jirasek RPTU Kaiserslautern
P 13.12	Revealing the essence of large-error slip measured by atomic force microscopy (AFM) from resistance (R) analysis Poster Electrolytes Z. Liu Presenter Nanjing Tech UniversityL. Mu Nanjing Tech UniversityX. Lu Nanjing Tech University
P 2.01	A Critical Review of Hydrogen Adsorption on Porous Materials for Energy Storage Applications Poster H2 M. Günther Presenter Chemnitz University of TechnologyX. Yang Chemnitz University of TechnologyD. Zipplies Chemnitz University of TechnologyM. Richter Chemnitz University of Technology
P 2.02	Thermophysical Properties of Liquid Organic Hydrogen Carriers Poster H2 T. Koller Presenter Friedrich-Alexander-Universität Erlangen-Nürnberg (FAU)M. Kerscher Friedrich-Alexander-Universität Erlangen-Nürnberg (FAU)J. Jander Friedrich-Alexander-Universität Erlangen-Nürnberg (FAU)T. Klein Friedrich-Alexander-Universität Erlangen-Nürnberg (FAU)M. Rausch Friedrich-Alexander-Universität Erlangen-Nürnberg (FAU)P. Wasserscheid Friedrich-Alexander-Universität Erlangen-Nürnberg (FAU)A. Fröba Friedrich-Alexander-Universität Erlangen-Nürnberg (FAU)
P 2.03	Influence of Gas-Water Interface for Underground Hydrogen Storage Poster H2 L. Huang Presenter University of Oklahoma
P 2.04	Hydrogen evolution reaction using ionic liquids as electrolytes: Experimental results and electrolytic reactor design Poster H2 B. Gomes de Matos da Costa e Silva Presenter Universidade de São Paulo - Escola PolitécnicaP. Cardozo Carvalho de Araújo Universidade de São Paulo - Escola PolitécnicaL. Follegatti-Romero Universidade de São Paulo - Escola PolitécnicaC. Oller do Nascimento Universidade de São Paulo - Escola Politécnica
P 2.05	Modeling Thermodynamic Properties of Hydrogen-Containing Mixtures Using PC-SAFT Poster H2 F. Yang Presenter École Normale Supérieure de LyonA. Padua École Normale Supérieure de Lyon
P 3.01	Molecular design, thermochemical and kinetics characterisation of reactive working fluids for thermodynamic cycles Poster Dynamic effects R. Hadjadj Presenter University of LorraineS. Vilas-Boas University of LorraineO. Herbinet University of LorraineS. Lasala University of Lorraine
P 3.02	In-situ Mineral Trapping in River Water as a Negative Emission Technology: Experimental Investigation and Modeling of the Reactive Gas-Liquid-Solid Equilibrium Poster Dynamic effects D. Groh Presenter TU MunichJ. Staudt TU MunichM. Ibañez TU MunichJ. Burger TU Munich
P 3.03	Numerical Simulation of Marangoni Convection in Disperse Liquid-Liquid Systems: Insights and Applications Poster Dynamic effects M. Singer Presenter Karlsruhe Institute of TechnologyP. Zimmermann Bosch Siemens HaushaltsgeräteT. Zeiner Karlsruhe Institute of Technology
P 3.04	Diffusivities in Electrolyte Systems from Dynamic Light Scattering and Molecular Dynamics Simulations Poster Dynamic effects T. Klein Presenter Friedrich-Alexander-Universität Erlangen-Nürnberg (FAU)C. Kankanamge Friedrich-Alexander-Universität Erlangen-Nürnberg (FAU)A. Fröba Friedrich-Alexander-Universität Erlangen-Nürnberg (FAU)
P 3.05	ECCSELLENT Project towards Net-Zero emission: A novel Laboratory for gas sorption, diffusion and transport in polymers for Advanced CCUS Research Poster Dynamic effects V. Signorini Presenter University of BolognaR. Di Carlo University of BolognaM. Minelli University of BolognaM. Giacinti Baschetti University of BolognaG. Burzotta University of BolognaZ. Maghazeh University of Bologna
P 3.06	Modeling the Viscosity of Ionic Liquids and Their Mixtures Using ePC-SAFT and Free Volume Theory with an Ion-Based Approach Poster Dynamic effects Z. Zuo Presenter Lulea University of Technology X. Lu Nanjing Tech UniversityX. Ji Lulea University of Technology
P 3.07	DENSITY AND VISCOSITY MODELING OF AQUEOUS DEEP-EUTECTIC-SOLVENT SOLUTIONS Poster Dynamic effects R. Macias-Salinas Presenter Instituto Politecnico NacionalN. Hansen Universität StuttgartJ. Gross Universität Stuttgart
P 3.08	Linear nonequilibrium thermodynamics modeling of optimal fluid transport phenomenon in hierarchical Murray materials Poster Dynamic effects J. Cao Presenter Nanjing Tech UniversityX. Ji Nanjing Tech UniversityX. Feng Nanjing Tech UniversityX. Lu Nanjing Tech University
P 3.09	Predicting Mass Transfer Through Interfaces Using Hydrodynamic Density Functional Theory Poster Dynamic effects B. Bursik Presenter Universität StuttgartR. Stierle University of StuttgartF. Bender University of StuttgartG. Bauer University of StuttgartJ. Gross University of Stuttgart
P 4.01	Novel Thermodynamic Model for Predicting Isomer Properties and Phase Equilibria Poster New models G. Segner Presenter Karlsruhe Institute of TechnologyP. Zimmermann BSH Hausgeräte GmbHT. Zeiner Karlsruhe Institute of Technology
P 4.02	Revealing the simple structures behind complex fluid states behavior Poster New models F. Mayrhuber Presenter (private)
P 4.03	Higher order functional approaches in Co-Oriented Fluid Functional Equation for Electrostatic interactions (COFFEE) Poster New models K. Langenbach Presenter Leopold-Franzens-Universität InnsbruckJ. Marx Universität InnsbruckW. Chapman Rice UniversityJ. Amplatz Leopold-Franzens-Universität Innsbruck
P 4.04	Implementation of new predictive property models in ICAS - ProPred Poster New models O. Perederic Presenter Technical University of DenmarkA. Vinhal Technical University of DenmarkX. Liang Technical University of DenmarkG. Kontogeorgis Technical University of Denmark
P 4.05	A New Approach for Modeling Nonlinear Hard Chains Based on Perturbation Theory Poster New models J. Uceda Universidad de ConcepciónA. Mejia Presenter Universidad de Concepcion
P 4.06	Integrating Predictive Assessment of Chemical Stability into Computer Aided Molecular and Process Design Poster New models L. Rasspe Presenter RWTH AACHEN UNIVERSITY K. Leonhard RWTH Aachen University
P 4.07	The influence of intramolecular hydrogen bonding on phase and reaction equilibria Poster New models R. Siewert Presenter University of RostockK. Müller Universität Rostock
P 4.08	Comparison of multi-parameter Helmholtz and molecular-based equations of state for the description of the density of a gravimetrically prepared LNG-type mixture Poster New models D. Tuma Presenter BAM Federal Institute for Materials Research and TestingD. Lozano-Martín Universidad de ValladolidI. Polishuk Ariel UniversityC. Chamorro Universidad de Valladolid
P 4.09	Calculation of the vapor-liquid equilibrium and thermodynamic properties of saturated neon by path integral Monte Carlo simulations using ab initio potentials Poster New models P. Marienhagen Presenter Helmut-Schmidt-Universität/Universität der Bundeswehr HamburgK. Meier Helmut-Schmidt-Universität/Universität der Bundeswehr Hamburg
P 4.10	Some recent developments in electrolyte thermodynamics Poster New models G. Kontogeorgis Presenter Technical University of Denmark
P 4.11	A robust SAFT-VR Mie model to address the solubility of F-gases in biomass-derived solvents for refrigeration applications Poster New models I. Huenuvil-Pacheco Presenter Universidad de ConcepcionM. Viar Universidad de CantabriaG. Zarca Universidad de CantabriaA. Urtiaga Universidad de CantabriaA. Mejía Universidad de ConcepcionF. Llovell Universitat Rovira i Virgili
P 4.12	A Molecular-Based Equation of State for Mixtures of Cylindrically-Symmetric Hard Bodies Poster New models N. de Souza Presenter University of Campinas (UNICAMP)L. Franco University of Campinas (UNICAMP)
P 4.13	Predicting thermal conductivity and associated autocorrelation function for simple fluids. Poster New models I. YAPI Presenter Université Sorbonne Paris NordO. HADDAD Université Sorbonne Paris NordM. BEN AMAR Université Sorbonne Paris NordJ. PASSARELLO Université Sorbonne Paris Nord
P 4.14	A Molecular Interaction-based Multiscale Model for Describing Reaction-Diffusion Coupling within Catalytic Nanochannels Poster New models S. Zhao Presenter Guangxi UniversityW. Tang East China University of Science and TechnologyX. Xu East China University of Science and Technology
P 4.15	Prediction of hydrate formation conditions considering coexistence of different hydrate structures Poster New models Q. Sun Presenter China University of Petroleum, Beijing
P 4.16	Amonton-like Solid-Liquid Friction Model Considering Slip Length: the Derivation of Corresponding State into Surface by Molecular Parameters Poster New models X. Pan Presenter Nanjing Tech UniversityY. Zhu Nanjing Tech UniversityX. Lu Nanjing Tech University
P 4.17	Optimal strategy for the parameterisation of the association term of SAFT models Poster New models H. ASMUNI Presenter University of LorraineN. RAMIREZ-VELEZ University of LorraineR. PRIVAT University of LorraineJ. JAUBERT University of LorraineM. BONNISSEL Gaztransport & TechnigazS. AHMED Gaztransport & Technigaz
P 4.18	New thermodynamic models and their parameters available in Simulis Thermodynamics Poster New models E. Moine Presenter Fives ProSimO. Baudouin Fives ProSim
P 5.01	Automated Vapor-Liquid Equilibrium Measurements with Raman Spectroscopy Poster Phase equilibria C. Busch Presenter ETH ZürichC. Flake ETH ZürichM. Kasterke RWTH Aachen UniversityH. Koß RWTH Aachen UniversityA. Bardow ETH Zürich
P 5.02	Solubility Enhancement of Active Pharmaceutical Ingredients through Liquid Hydrotrope Addition: A Thermodynamic Analysis Poster Phase equilibria S. Nasrallah Presenter Technische Universität München (TUM)
P 5.03	Phase equilibria for ATPS composed of PEG2k, PVP10k or PVP29k: experimental assessment and PDH+UNIQUAC modelling Poster Phase equilibria P. Velho University of PortoJ. Coelho University of PortoC. Rebelo University of PortoE. Macedo Presenter University of Porto
P 5.04	The solid-solubility problem. The importance of accurate fluid-phase density and solid chemical potential in the prediction of solid-fluid equilibria Poster Phase equilibria M. Campestrini Presenter MINES Paris - PSL UniversityS. Hoceini MINES Paris - PSL UniversityP. Stringari MINES Paris - PSL University
P 5.05	Accurate Representations of Critical Phenomena for Mixtures by a Volume Translated-Rescaled PC-SAFT Equation of State Combined with an Appropriate Mixing Rule Poster Phase equilibria J. Shi Presenter East China University of Science and TechnologyY. Zhou University of AlbertaH. Liu East China University of Science and Technology
P 5.06	Strategy for Efficiently Generating Complete VLE Phase Envelopes for Natural Gas Mixtures with Peng-Robinson EoS Poster Phase equilibria V. Simões Universidade Federal do Rio de JaneiroN. Lemes Universidade Federal do Rio de JaneiroI. de Oliveira Universidade Federal do Rio de JaneiroA. Young Presenter Universidade Federal Fluminense
P 5.07	Implicit differentiation of phase equilibria as a new paradigm in equation of state modeling and molecular design Poster Phase equilibria P. Rehner Presenter ETH Zurich
P 5.08	Biobased Polar Green Solvents Use for Oil Desulfurization: Physicochemical Properties, Liquid-Liquid Equilibria and Thermodynamic Modeling Poster Phase equilibria V. Jeřábek Presenter University of Chemistry and Technology PragueM. Klajmon University of Chemistry and Technology PragueÜ. Aslan University of Chemistry and Technology PragueK. Řehák University of Chemistry and Technology Prague
P 6.01	Effect of water concentration on the microstructures of alkanolamine-based deep eutectic solvents (choline chloride + monoethanolamine) Poster Deep eutectic solvents F. Lin Presenter Nanjing Tech UniversityX. Lu Nanjing Tech UniversityY. Zhu Nanjing Tech UniversityX. Ji Lulea University of Technology
P 6.02	Gas Separation Applications Using Deep Eutectic Solvents: Analysis via soft-SAFT EoS Modeling Poster Deep eutectic solvents L. Alencar Presenter Universidade Federal do Rio de JaneiroS. Rodriguez-Reartes Universitat Rovira i VirgiliF. Llovell Universitat Rovira i VirgiliF. Tavares Universidade Federal do Rio de Janeiro
P 6.03	Designing Greener Varnishes using Natural Eutectic Systems Poster Deep eutectic solvents C. Fernandes Presenter Nova School of Science and TechnologyA. Quirino Nova School of Science and TechnologyA. Paiva Nova School of Science and TechnologyR. Marques NEON Art Conservation Lda.A. C. Duarte Nova School of Science and Technology
P 6.04	How Relevant Is the Role of Association for Deep Eutectic Solvent Phase Equilibria Modeling? Poster Deep eutectic solvents C. Beraldo Presenter ANP/USP
P 7.01	From Thermodynamic Equilibrium Data to Miniplant-Scale: Integrated Reaction and Separation System for Cyclic Acetals Poster Process Application M. Haas Presenter RWTH Aachen UniversityA. Jupke RWTH Aachen University
P 7.02	On the use of Molecular Dynamics in food processing: behavior of minority compounds in vegetable oil extraction Poster Process Application J. Canjanja Madureira University of São PauloP. Callil Soares University of São PauloM. Costa Reis University of São PauloL. Kramer Biasi Pagotto Center for Research in Energy and MaterialsP. Pessoa Filho Presenter University of São Paulo
P 7.03	Integrating Computational Tools for the Ad-Hoc Design of Sustainable Refrigerants Poster Process Application C. Albà Universitat Rovira i VirgiliL. Vega Khalifa University of Science and TechnologyF. Llovell Presenter Universitat Rovira i Virgili
P 7.04	Enantiopurification using out-of-equilibrium conditions in mechanochemistry Poster Process Application C. LOPES Presenter Université Rouen NormandieC. BRANDEL Université Rouen NormandieY. CARTIGNY Université Rouen NormandieT. LEYSSENS Université catholique de Louvain-La-Neuve
P 7.05	Cost and Energy Improvement Comparison of Using Electronic Expansion Valve and Vacuum Insulation Panel in Domestic Refrigerators Poster Process Application Y. Guzel Presenter BEKO
P 7.06	Evaluation of dispersion and aggregation for decanoic acid-modified ceria nanoparticle + organic solvent systems and modeling with activity coefficient models Poster Process Application H. Matsuda Presenter Nihon UniversityR. Yamazaki Nihon UniversityM. Matsuda Nihon UniversityN. Yang Tohoku UniversityM. Ota Tohoku UniversityT. Tomai Tohoku UniversityH. Inomata Tohoku University
P 7.07	Comparative Analysis of Different Equations of State (EOS) for Predicting Thermodynamic Properties of Oxygenated Components in Biofuel and Biodiesel Applications Poster Process Application I. Bahrabadi jovein Presenter Bologna UniversityM. Giacinti Baschetti Bologna UniversityF. Galimberti Eni S.p.A.G. Sadowski TU Dortmund UniversityC. Held TU Dortmund UniversityF. Doghieri Bologna University
P 7.08	Extraction based on ionic liquids as a tool to valorize fish by-products Poster Process Application A. Soto Presenter University of Santiago de CompostelaP. Souto-Montero University of Santiago de CompostelaA. Cáceres University of Santiago de CompostelaC. Pena University of Santiago de CompostelaE. Rodil University of Santiago de Compostela
P 7.09	Production of carbon black from the pyrolysis of waste tires: Characterizations, evaluation of thermal conditions and process development Poster Process Application A. Goulart Presenter University of São PauloP. Cardozo Carvalho de Araujo University of São PauloM. Dias Pantolfi University of São PauloR. de Brito Alves University of São PauloC. Oller do Nascimento University of São Paulo
P 7.10	Integration of Small-Scale LNG Regasification and Biogas Cryogenic Separation: A Thermoeconomic Study Poster Process Application D. Estanislau Presenter University of Campinas (UNICAMP)L. Miranda University of Campinas (UNICAMP)J. D'Angelo University of Campinas (UNICAMP)
P 7.11	Modeling and optimization of the compression process in a green ammonia production plant Poster Process Application I. Martínez Universidad de ValladolidD. Lozano-Martín Universidad de ValladolidF. Mato Universidad de ValladolidC. Chamorro Presenter Universidad de Valladolid
P 8.01	CO2 Capture using Slurry made by Integration of Aqueous and Immobilized Deep Eutectic Solvents Poster CO2 S. Foorginezhad Presenter Lulea University of Technology X. Ji Lulea University of Technology
P 8.02	Cryo-compressed CO2 sorption, diffusion and permeation in elastomers for the CO2 transport value chain. Poster CO2 V. Signorini Presenter University of BolognaM. Minelli University of BolognaE. Ghiara Institut de ciencia de BarcelonaG. Lazzari University of BolognaR. Di Carlo University of BolognaM. Giacinti Baschetti University of BolognaL. Ansaloni SINTEFB. Alcock SINTEF
P 8.03	CO2 capture with hydrophobic natural deep eutectic solvents: PC-SAFT modeling and molecular insights Poster CO2 G. Yu Presenter TU Dortmund UniversityC. Held TU Dortmund UniversityG. Sadowski TU Dortmund University
P 8.04	Thermodynamic modelling of hexamethylenediamine for CO2 capture Poster CO2 S. Ali Presenter Chungbuk National UniversityM. Oh Chungbuk National UniversityS. Han Chungbuk National UniversityJ. Cha Chungbuk National UniversityJ. Moon Chungbuk National University
P 8.05	Experimental and modeling study of adsorption isotherms for CO₂/CH₄ mixtures on activated carbon Poster CO2 A. Santos UFBAD. Silva UFBAF. Nascimento Presenter UFBAL. Bastos UFBAR. Mirre UFBAS. Vieira de Melo UFBA
P 8.06	Algorithms and Thermodynamic Models for CO2 Capture Poster CO2 A. Cavalcante de Lima Neto Presenter Technical University of DenmarkE. Halfdan Stenby Danmarks Tekniske UniversitetW. Yan Danmarks Tekniske Universitet
P 8.07	Influence of subcooling and supersaturation on nucleation kinetics of CO2 hydrate: a molecular dynamics study Poster CO2 L. Huang Presenter National Taiwan UniversityS. Lin National Taiwan University
P 8.08	Density Measurements of CO2 + [(1-x)NaCl + xCaCl2] brines Poster CO2 O. Jayeola Presenter Technical University of Denmark M. Cassiede Technical University of DenmarkS. Smith Technical University of DenmarkW. Yan Technical University of Denmark
P 8.09	Modeling the adsorption of H2O and CO2 on CALF-20 on the basis of a modified equation of state Poster CO2 A. Gonçalves Presenter University of Campinas (UNICAMP)E. Lyra University of Campinas (UNICAMP)N. Santos TotalEnergiesY. Magnin TotalEnergiesL. Franco University of Campinas (UNICAMP)
P 8.10	Investigation of CO₂ and H₂O adsorption and diffusion in α- and β-CALF20 through molecular simulations Poster CO2 E. Parazzi Lyra Presenter University of Campinas (UNICAMP)A. de Freitas Gonçalves University of Campinas (UNICAMP)N. Brandão Costa Santos TotalEnergiesY. Magnin TotalEnergiesL. Fernando Mercier Franco University of Campinas (UNICAMP)
P 8.11	Phase Equilibria with Solid Carbon Dioxide for Cryogenic Capture Applications Poster CO2 G. De Guido Presenter Politecnico di MilanoL. Pellegrini Politecnico di Milano
P 8.12	New initialization strategy for two- and three-phase flash calculations in CO2/water/hydrocarbon mixtures Poster CO2 J. Heringer Presenter University of PauM. Wapperom TU DelftC. Secuianu National University of Science and Technology Politehnica BucharestD. Voskov TU DelftD. Vladimir Nichita University of Pau
P 8.13	The influence of pure compounds’ parameters on the phase behavior of systems containing carbon dioxide Poster CO2 C. Secuianu Presenter National University of Science and Technology POLITEHNICA BucharestS. Sima National University of Science and Technology POLITEHNICA BucharestA. Crisciu National University of Science and Technology POLITEHNICA BucharestD. Nichita University of Pau
P 8.14	CO₂/hydrocarbon selectivity of ether-functionalized phosphonium-based ionic liquids and design of the gas separation process Poster CO2 Y. Suzuki Presenter Nihon UniversityK. Isobe Nihon UniversityD. Kodama Nihon UniversityT. Sugahara Osaka University
P 8.15	Systematic screening of amine-based deep eutectic solvents for enhanced CO2 capture efficiency Poster CO2 Q. Shi Presenter Luleå University of TechnologyX. Ji Luleå University of Technology
P 9.01	A New Paradigm for the Development of Molecular Equations of State: Embedding Physics with Machine Learning Poster KI G. Chaparro Presenter Imperial College LondonE. Müller Imperial College London
P 9.02	Development of Ab Initio-based Machine Learning Models to Study Chemical Reactions in Molten Alkali Carbonates and Hydroxides Poster KI D. Kussainova Presenter Princeton UniversityA. Panagiotopoulos Princeton University
P 9.03	The Impact of Temperature on Hydrotropy: A Machine-Learning-Enabled Thermodynamics Study Poster KI D. Abranches Presenter University of AveiroB. Soares CICECO - Aveiro Institute of MaterialsO. Ferreira Centro de Investigação de MontanhaS. Pinho Centro de Investigação de MontanhaJ. Coutinho CICECO - Aveiro Institute of Materials
P 9.04	Advancing Group Contribution Models by Machine Learning: UNIFAC 2.0 Poster KI N. Hayer RPTU KaiserslauternS. Mandt UC IrvineH. Hasse RPTU KaiserslauternF. Jirasek Presenter RPTU Kaiserslautern
P 9.05	Obtaining properties of complex fluids based on statistical thermodynamics mechanism-driven machine learning: taking vapor pressure as an example Poster KI Z. Dai Presenter Nanjing Tech UniversityX. Ji Luleå University of TechnologyX. Lu Nanjing Tech University
P 9.06	Machine Learning Representation of Global Renormalization Group of Solution Models Poster KI L. Ji-En National Tsing Hua University, TaiwanY. Shih National Taiwan UniversityD. Wong Presenter National Tsing Hua University, TaiwanS. Lin National Taiwan University
P 9.07	Machine learning for design nanofiltration membrane and study on its mass transfer mechanism Poster KI l. liang Presenter Lijun Liang, Hangzhou Dianzi University
P 9.08	Hybrid data-driven and physics-based modeling for viscosity prediction of ionic liquids Poster KI J. Fan Presenter Nanjing Tech UniversityD. Zhengxing Nanjing Tech UniversityC. Jian Nanjing Tech UniversityM. Liwen Nanjing Tech UniversityJ. Xiaoyan Luleå University of TechnologyL. Xiaohua Nanjing Tech University
P 9.09	Physics-informed multi-fidelity Gaussian process: modeling the effect of water and temperature on the viscosity of a deep eutectic solvent Poster KI M. Spera Presenter University of StuttgartS. Darouich University of StuttgartM. Fleck University of StuttgartJ. Pleiss University of StuttgartN. Hansen University of Stuttgart
P 9.10	GRAPPA – Graph Neural Network for Predicting Pure Component Vapor Pressures Poster KI M. Hoffmann Presenter RPTU KaiserslauternH. Hasse RPTU KaiserslauternF. Jirasek RPTU Kaiserslautern
P 9.11	Estimation of interaction parameters for the Peng-Robinson equation of state using quantum chemical calculations and ANN Poster KI H. Matsukawa Presenter Tokyo university of scienceK. Otake Tokyo university of science