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

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Code	Title
P1 - 1	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)
P1 - 10	A Critical Review of Hydrogen Adsorption on Porous Materials for Energy Storage Applications Poster Hydrogen M. Günther Presenter Chemnitz University of TechnologyX. Yang Chemnitz University of TechnologyD. Zipplies Chemnitz University of TechnologyM. Richter Chemnitz University of Technology
P1 - 11	Thermophysical Properties of Liquid Organic Hydrogen Carriers Poster Hydrogen 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)
P1 - 12	Influence of Gas-Water Interface for Underground Hydrogen Storage Poster Hydrogen L. Huang Presenter University of Oklahoma
P1 - 13	Modeling Thermodynamic Properties of Hydrogen-Containing Mixtures Using PC-SAFT Poster Hydrogen F. Yang Presenter École Normale Supérieure de LyonA. Padua École Normale Supérieure de Lyon
P1 - 14	Bridging Simulation and Reality: 3D Classical Density Functional Theory meets Hydrogen Adsorption Poster Hydrogen N. Thiele Presenter University of StuttgartT. Menzel University of StuttgartR. Stierle University of StuttgartJ. Gross University of Stuttgart
P1 - 14.1	Hydrogen evolution reaction using ionic liquids as electrolytes: Experimental results and electrolytic reactor design Poster Hydrogen B. Gomes de Matos da Costa e Silva Universidade de São Paulo - Escola PolitécnicaP. Cardozo Carvalho de Araújo Presenter Universidade de São Paulo - Escola PolitécnicaL. Follegatti-Romero Universidade de São Paulo - Escola PolitécnicaC. Oller do Nascimento Universidade de São Paulo - Escola Politécnica
P1 - 15	In-situ Mineral Trapping in River Water as a Negative Emission Technology: Experimental Investigation and Modeling of the Reactive Gas-Liquid-Solid Equilibrium Poster Transport Properties D. Groh Presenter TU MunichJ. Staudt TU MunichM. Ibañez TU MunichJ. Burger TU Munich
P1 - 16	Numerical Simulation of Marangoni Convection in Disperse Liquid-Liquid Systems: Insights and Applications Poster Transport Properties M. Singer Presenter Karlsruhe Institute of TechnologyP. Zimmermann Bosch Siemens HaushaltsgeräteT. Zeiner Karlsruhe Institute of Technology
P1 - 17	Diffusivities in Electrolyte Systems from Dynamic Light Scattering and Molecular Dynamics Simulations Poster Transport Properties T. Klein Friedrich-Alexander-Universität Erlangen-Nürnberg (FAU)C. Kankanamge Presenter Friedrich-Alexander-Universität Erlangen-Nürnberg (FAU)A. Fröba Friedrich-Alexander-Universität Erlangen-Nürnberg (FAU)
P1 - 18	ECCSELLENT Project towards Net-Zero emission: A novel Laboratory for gas sorption, diffusion and transport in polymers for Advanced CCUS Research Poster Transport Properties 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
P1 - 19	Modeling the Viscosity of Ionic Liquids and Their Mixtures Using ePC-SAFT and Free Volume Theory with an Ion-Based Approach Poster Transport Properties Z. Zuo Presenter Lulea University of Technology X. Lu Nanjing Tech UniversityX. Ji Lulea University of Technology
P1 - 2	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
P1 - 20	Linear nonequilibrium thermodynamics modeling of optimal fluid transport phenomenon in hierarchical Murray materials Poster Transport Properties J. Cao Presenter Nanjing Tech UniversityX. Ji Nanjing Tech UniversityX. Feng Nanjing Tech UniversityX. Lu Nanjing Tech University
P1 - 21	Predicting Mass Transfer Through Interfaces Using Hydrodynamic Density Functional Theory Poster Transport Properties B. Bursik Presenter Universität StuttgartR. Stierle University of StuttgartF. Bender University of StuttgartG. Bauer University of StuttgartJ. Gross University of Stuttgart
P1 - 22	Entropy Scaling for Thermal conductivity with critical Enhancement for pure substances and mixtures Poster Transport Properties J. Burkhardt Presenter University of StuttgartR. Stierle University of StuttgartG. Bauer University of StuttgartJ. Groß University of Stuttgart
P1 - 23	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
P1 - 24	Revealing the simple structures behind complex fluid states behavior Poster New models F. Mayrhuber Presenter (private)
P1 - 25	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
P1 - 26	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
P1 - 27	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
P1 - 28	The influence of intramolecular hydrogen bonding on phase and reaction equilibria Poster New models R. Siewert Presenter University of RostockK. Müller Universität Rostock
P1 - 29	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
P1 - 3	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
P1 - 30	Grouper: Enabling High-Throughput Simulations with Functional Group Graph Representations in Graph Neural Networks Poster New models N. Craven Presenter Vanderbilt UniversityK. Nehil-Puleo Vanderbilt UniversityC. McCabe Heriot-Watt UniversiyP. Cummings Heriot-Watt Universiy
P1 - 31	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
P1 - 32	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
P1 - 33	A Molecular-Based Equation of State for Mixtures of Cylindrically-Symmetric Hard Bodies Poster New models N. Barros de Souza Presenter University of Campinas (UNICAMP)L. Franco University of Campinas (UNICAMP)
P1 - 34	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
P1 - 35	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
P1 - 36	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
P1 - 37	Evaluation of derivative properties by various thermodynamic models for polar compounds Poster New models J. Amanabadi Presenter Technical University of DenmarkX. Liang Technical University of DenmarkG. M. Kontogeorgis Technical University of Denmark
P1 - 38	Interfacial Map for Type II and Type IIa for Lennard-Jones Binary Mixtures Poster New models F. Figueroa Universidad de ConcepcionG. Alonso Universidad de ConcepcionA. Mejia Presenter Universidad de Concepcion
P1 - 39	A thermodynamic model of fused short hard-sphere chains Poster New models S. DRIDI IPEST TunisM. Abderraba IPEST TunisJ. PASSARELLO Presenter University Sorbonne Paris Nord
P1 - 4	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
P1 - 40	Beyond One-fluid Approximations – Symbolic Regression for Mixture Correction in Perturbation Theories Poster New models A. Reimer Presenter Universität StuttgartJ. Gross University of Stuttgart
P1 - 41	Solubility Enhancement of Active Pharmaceutical Ingredients through Liquid Hydrotrope Addition: A Thermodynamic Analysis Poster Phase equilibria S. Nasrallah Presenter Technische Universität München (TUM)
P1 - 42	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
P1 - 43	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
P1 - 44	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
P1 - 45	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
P1 - 46	Bubble point pressure measurements for dimethyl ether - 2-methoxyethanol and dimethyl ether - 2-ethoxyethanol, and an activity coefficient model based on a group contribution method Poster Phase equilibria A. Enokido Nihon UniversityA. Lai Universiti Teknologi MalaysiaT. Tsuji Presenter Universiti Teknologi MalaysiaH. Matsukawa Tokyo University of ScienceT. Hoshina Nihon UniversityH. Matsukawa Nihon UniversityK. Tochigi Nihon University
P1 - 48	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
P1 - 49	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
P1 - 5	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 TechnologieJ. Zimmermann Karlsruhe Institute of Technology (KIT)
P1 - 50	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
P1 - 51	Cracking chitin with deep eutectic solvents: A thermodynamic approach Poster Deep eutectic solvents E. Foord Stellenbosch UniversityN. Goosen Stellenbosch UniversityJ. Cripwell Presenter Stellenbosch University
P1 - 52	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
P1 - 53	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
P1 - 54	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
P1 - 55	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
P1 - 56	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
P1 - 57	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
P1 - 58	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 Araújo University of São PauloM. Dias Pantolfi University of São PauloR. de Brito Alves University of São PauloC. Oller do Nascimento University of São Paulo
P1 - 59	Modeling and optimization of the compression process in a green ammonia production plant Poster Process Application I. Martínez Presenter Universidad de ValladolidD. Lozano-Martín Universidad de ValladolidF. Mato Universidad de ValladolidC. Chamorro Universidad de Valladolid
P1 - 6	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
P1 - 60	Evaluation of Excess Surface Tensions for Binary and Ternary Systems Using ASOG Group Contribution Model Poster Process Application K. Tochigi Presenter Nihon UniversityH. Matsuda Nihon UniversityT. Tsuji Universiti Teknologi Malaysia, Kuala LumpurK. Kurihara Nihon University
P1 - 61	Synergistic Enhancement of Thermodynamic Stability of Methane Hydrates using Mixed Promoters Poster Process Application J. Seol Presenter Seoul National University
P1 - 62	New interpretation of NMR relaxation response from MD simulations: Material properties and MRI contrast agents Poster Experimental 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
P1 - 63	NMR Fingerprinting and Thermodynamic Modeling of Poorly Specified Mixtures Poster Experimental J. Wagner Presenter RPTU KaiserslauternZ. Romero RPTU KaiserslauternT. Specht RPTU KaiserslauternK. Münnemann RPTU KaiserslauternH. Hasse RPTU KaiserslauternF. Jirasek RPTU Kaiserslautern
P1 - 64	Revealing the essence of large-error slip measured by atomic force microscopy (AFM) from resistance (R) analysis Poster Experimental Z. Liu Presenter Nanjing Tech UniversityL. Mu Nanjing Tech UniversityX. Lu Nanjing Tech University
P1 - 65	Automated Vapor-Liquid Equilibrium Measurements with Raman Spectroscopy Poster Experimental C. Busch Presenter ETH ZürichC. Flake ETH ZürichM. Kasterke RWTH Aachen UniversityH. Koß RWTH Aachen UniversityA. Bardow ETH Zürich
P1 - 7	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
P1 - 8	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
P1 - 9	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
P1 - 9.1	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
P2 - 1	CO2 Capture using Slurry made by Integration of Aqueous and Immobilized Deep Eutectic Solvents Poster Carbon Dioxide S. Foorginezhad Presenter Lulea University of Technology X. Ji Lulea University of Technology
P2 - 10	CO₂/hydrocarbon selectivity of ether-functionalized phosphonium-based ionic liquids and design of the gas separation process Poster Carbon Dioxide Y. Suzuki Presenter Nihon UniversityK. Isobe Nihon UniversityY. Suzuki Nihon UniversityT. Sugahara Osaka University
P2 - 11	Systematic screening of amine-based deep eutectic solvents for enhanced CO2 capture efficiency Poster Carbon Dioxide Q. Shi Presenter Luleå University of TechnologyX. Ji Luleå University of Technology
P2 - 12	Phase Equilibria of CO2-Water and CO2-Brine at High Temperature: a Multiscale Approach Poster Carbon Dioxide F. Mourao Coelho Presenter University of Campinas (UNICAMP)L. Mercier Franco University of Campinas (UNICAMP)A. Firoozabadi Rice University
P2 - 13	The influence of pure compounds’ parameters on the phase behavior of systems containing carbon dioxide Poster Carbon Dioxide C. Secuianu 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 PauJ. Heringer Presenter University of Pau
P2 - 13.1	New initialization strategy for two- and three-phase flash calculations in CO2/water/hydrocarbon mixtures Poster Carbon Dioxide 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
P2 - 13.2	Phase Equilibria with Solid Carbon Dioxide for Cryogenic Capture Applications Poster Carbon Dioxide G. De Guido Presenter Politecnico di MilanoL. Pellegrini Politecnico di Milano
P2 - 14	Development of Ab Initio-based Machine Learning Models to Study Chemical Reactions in Molten Alkali Carbonates and Hydroxides Poster Artificial Intelligence D. Kussainova Princeton UniversityA. Panagiotopoulos Presenter Princeton University
P2 - 15	The Impact of Temperature on Hydrotropy: A Machine-Learning-Enabled Thermodynamics Study Poster Artificial Intelligence 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
P2 - 16	Advancing Group Contribution Models by Machine Learning: UNIFAC 2.0 Poster Artificial Intelligence N. Hayer RPTU KaiserslauternS. Mandt UC IrvineH. Hasse RPTU KaiserslauternF. Jirasek Presenter RPTU Kaiserslautern
P2 - 17	Obtaining properties of complex fluids based on statistical thermodynamics mechanism-driven machine learning: taking vapor pressure as an example Poster Artificial Intelligence Z. Dai Presenter Nanjing Tech UniversityX. Ji Luleå University of TechnologyX. Lu Nanjing Tech University
P2 - 19	Hybrid data-driven and physics-based modeling for viscosity prediction of ionic liquids Poster Artificial Intelligence 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
P2 - 2	Cryo-compressed CO2 sorption, diffusion and permeation in elastomers for the CO2 transport value chain. Poster Carbon Dioxide 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
P2 - 20	Physics-informed multi-fidelity Gaussian process: modeling the effect of water and temperature on the viscosity of a deep eutectic solvent Poster Artificial Intelligence M. Spera Presenter University of StuttgartS. Darouich University of StuttgartM. Fleck University of StuttgartJ. Pleiss University of StuttgartN. Hansen University of Stuttgart
P2 - 21	GRAPPA – Graph Neural Network for Predicting Pure Component Vapor Pressures Poster Artificial Intelligence M. Hoffmann Presenter RPTU KaiserslauternH. Hasse RPTU KaiserslauternF. Jirasek RPTU Kaiserslautern
P2 - 22	Estimation of interaction parameters for the Peng-Robinson equation of state using quantum chemical calculations and ANN Poster Artificial Intelligence H. Matsukawa Presenter Tokyo university of scienceK. Otake Tokyo university of science
P2 - 23	Prediction of excess enthalpy in binary mixtures through probabilistic matrix completion, with a GP enforced smoothness constraint Poster Artificial Intelligence G. Hermanus Stellenbosch UniversityT. Louw Stellenbosch UniversityJ. Cripwell Presenter Stellenbosch University
P2 - 24	Advancing Ethanol/Water Separation in Functionalized Polymer Membranes Through Grand Canonical Monte Carlo, Molecular Dynamics, and Machine Learning-Driven Predictive Modeling Poster Artificial Intelligence A. Ordorica-Fernandez Vanderbilt UniversityC. Quach Vanderbilt UniversityZ. Parkerson Vanderbilt UniversityK. Jennings Vanderbilt UniversityP. Cummings Heriot-Watt UniversiyC. McCabe Presenter Heriot-Watt Universiy
P2 - 25	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
P2 - 26	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
P2 - 27	Comparison of UNIFAC-LLE and COSMO-SAC Models for Liquid-Liquid Equilibria Predictions of Produced Water from Oil Systems Poster COSMO E. Lima Rio de Janeiro State UniversityC. Silveira Presenter Federal University of Santa MariaH. Ferraz Federal University of Rio de JaneiroS. Weschenfelder Petrobras
P2 - 28	General improvement of openCOSMO-RS including atomic polarizabilities calculated from first principles Poster COSMO D. Grigorash Technical University of Denmark (DTU)S. Müller Presenter Technische Universität Hamburg (TUHH)E. Heid TU WienF. Neese FAccTs GmbHD. Liakos Max Planck Institut für KohleforschungC. Riplinger FAccTs GmbHM. García-Ratés FAccTs GmbHP. Paricaud Institut Polytechnique de ParisE. Stenby Technical University of Denmark (DTU)I. Smirnova Technische Universität Hamburg (TUHH)W. Yan Technical University of Denmark (DTU)
P2 - 29	The potential of using porous solid matrices for the separation of sulphur hexafluoride Poster Interfacial Properties A. Pereiro Presenter NOVA School of Science and TechnologyJ. Sosa NOVA School of Science and TechnologyJ. Araújo NOVA School of Science and Technology
P2 - 3	CO2 capture with hydrophobic natural deep eutectic solvents: PC-SAFT modeling and molecular insights Poster Carbon Dioxide G. Yu Presenter TU Dortmund UniversityC. Held TU Dortmund UniversityG. Sadowski TU Dortmund University
P2 - 30	Confinement Effects in Mesopores Studied by Molecular Dynamics Simulations Poster Interfacial Properties M. Högler Presenter University of StuttgartH. Kraus University of StuttgartN. Hansen University of Stuttgart
P2 - 31	On the effect of confinement on reversible chemical reactions Poster Interfacial Properties 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
P2 - 32	Advanced Direct Air Capture Membranes: Combining Ionic Liquid Mixtures with Nanoceramic Layers Poster Interfacial Properties 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
P2 - 33	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 Interfacial Properties T. Teh Presenter University of StuttgartR. Stierle University of StuttgartN. Hansen University of StuttgartJ. Gross University of Stuttgart
P2 - 34	Thermal conductivity at solid/fluid interfaces: Effective thermal transport in nanoporous from microscopic mechanisms Poster Interfacial Properties N. Ferreira de Souza Presenter University of Campinas (UNICAMP)L. Mercier Franco University of Campinas (UNICAMP)B. Coasne University Grenoble AlpesC. Herrero³ Institut Laue-Langevin
P2 - 35	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
P2 - 36	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
P2 - 37	Thermodynamic Modeling of Electrolyte Solutions for All-Vanadium Redox Flow Batteries Poster Aqueoes Systems J. Heiß Presenter RPTU KaiserslauternM. Kohns RPTU Kaiserslautern
P2 - 38	A Thermodynamic Based Approach for Modeling Solubility and Phase Behavior in Complex Cocrystal Systems Poster Aqueoes Systems S. Nasrallah Presenter Technische Universität München (TUM)
P2 - 39	Calorimetric analysis of aqueous alcohol solutions up to 450 MPa. Poster Aqueoes Systems J. Troncoso Presenter
P2 - 4	Experimental and modeling study of adsorption isotherms for CO₂/CH₄ mixtures on activated carbon Poster Carbon Dioxide A. Santos UFBAD. Silva UFBAF. Nascimento Presenter UFBAL. Bastos UFBAR. Mirre UFBAS. Vieira de Melo UFBA
P2 - 40	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
P2 - 41	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
P2 - 42	Hydrotreatment of vegetable oils to produce green fuels: Phase equilibria and volumetric properties Poster Aqueoes Systems P. Hegel PLAPIQUIF. Sánchez Presenter PLAPIQUIN. Cotabarren PLAPIQUIS. Pereda PLAPIQUIE. Brignole PLAPIQUI
P2 - 43	Extractive Separation of Acetoin from Water for Subsequent Hydrogenation to 2,3-Butanediol Poster Aqueoes Systems P. Förster Presenter RWTH Aachen UniversityA. Jupke RWTH Aachen University
P2 - 44	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
P2 - 45	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
P2 - 46	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
P2 - 47	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
P2 - 48	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
P2 - 49	Impact of Aqueous Protein on Air Incorporation of Whipped Creams Poster Aqueoes Systems S. Mellsop Presenter Fonterra
P2 - 5	Algorithms and Thermodynamic Models for CO2 Capture Poster Carbon Dioxide A. Cavalcante de Lima Neto Presenter Technical University of DenmarkE. Halfdan Stenby Danmarks Tekniske UniversitetW. Yan Danmarks Tekniske Universitet
P2 - 50	Thermodynamics and kinetics of the PET glycolysis reaction Poster Aqueoes Systems C. Held Presenter TU Dortmund UniversityM. Schlüter TU Dortmund University
P2 - 52	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
P2 - 53	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
P2 - 54	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
P2 - 55	Thermodynamics of Isomers and Solubility Prediction in Multicomponent Sugar Solutions Poster Aqueoes Systems S. Trespi Presenter ETH ZurichM. Mazzotti ETH Zürich
P2 - 56	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
P2 - 57	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
P2 - 58	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
P2 - 59	Some recent investigations on the Debye-Hückel theory Poster Electrolytes X. Liang Presenter Technical University of DenmarkG. Kontogeorgis Technical University of Denmark
P2 - 6	Influence of subcooling and supersaturation on nucleation kinetics of CO2 hydrate: a molecular dynamics study Poster Carbon Dioxide L. Huang Presenter National Taiwan UniversityS. Lin National Taiwan University
P2 - 60	Some recent developments in electrolyte thermodynamics Poster Electrolytes G. Kontogeorgis Presenter Technical University of Denmark
P2 - 61	Electrochemical properties of tetra-n-butylammonium carboxylate semiclathrate hydrates Poster Electrolytes T. Sugahara Presenter Osaka UniversityR. Tsugaya Osaka UniversityJ. Shimada Osaka UniversityT. Hirai Osaka University
P2 - 62	Meet the Editors of Journal of Chemical & Engineering Data (JCED) Poster Others J. Siepmann Presenter University of Minnesota
P2 - 7	Density Measurements of CO2 + [(1-x)NaCl + xCaCl2] brines Poster Carbon Dioxide O. Jayeola Presenter Technical University of Denmark M. Cassiede Technical University of DenmarkS. Smith Technical University of DenmarkW. Yan Technical University of Denmark
P2 - 8	Modeling the adsorption of H2O and CO2 on CALF-20 on the basis of a modified equation of state Poster Carbon Dioxide A. Gonçalves Presenter University of Campinas (UNICAMP)E. Lyra University of Campinas (UNICAMP)N. Santos TotalEnergiesY. Magnin TotalEnergiesL. Franco University of Campinas (UNICAMP)
P2 - 9	Investigation of CO₂ and H₂O adsorption and diffusion in α- and β-CALF20 through molecular simulations Poster Carbon Dioxide 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)