P. 32

   TUESDAY, JUNE 20, 2023
18-21 JUNE 2023
Feature Embedding of Molecular Dynamics-Based Descriptors for Modeling Electrochemical Separation Processes
H. K. Gallage Donaa,1, T. Olayiwolab,1, L. A. Briceno-Menab, C. G. Argesc, R. Kumara, J. A. Romagnolib a Department of Chemistry, Louisiana State University, Baton Rouge, Louisiana 70803, USA
b Cain Department of Chemical Engineering, Louisiana State University, Baton Rouge, Louisiana 70803, USA
c Department of Chemical Engineering, The Pennsylvania State University, University Park, PA 160802, USA
1 Equal contribution
Solvent pre-selection for extractive distillation using Gibbs-Helmholtz Graph Neural Networks
Edgar Ivan Sanchez Medinaa, Kai Sundmachera,b
a Chair for Process Systems Engineering, Otto-von-Guericke University, Universitätsplatz. 2, Magdeburg, 39106,Germany b Process Systems Engineering, Max Planck Institute for Dynamics of Complex Technical Systems, Sandtorstraße 1,
Magdeburg, 39106, Germany
Improving Model Robustness with Transfer Learning for Product Property Models
Per Julian Becker, Loic Iapteff, Benoit Celse
IFP Energies nouvelles, Rond-point de l’échangeur de Solaize, BP 3, 69360 Solaize, France
The influence of biomass characteristics and their uncertainties on the production of sustainable aviation fuel
Moaaz Shehaba.b.c, Diego Freire Ordóñezc, Mai Buic, Kai Moshammera, Edwin Zondervanb
a Physikalisch Technische Bundesanstalt (PTB), Bundesallee 100, Braunschweig 38116, Germany
b Twente University, Drienerlolaan 5, Enschede 7522 NB, the Netherlands
c Imperial College London, Exhibition Rd, South Kensington, London SW7 2BX, UK
Substitution of hexane in vegetable oil extraction using Computer Aided Molecular Design
Mohamad Nehmeha,b, Ivonne Rodriguez-Donisa, Vincent Gerbaudb, Sophie Thiebaud-Rouxa
a Laboratoire de Chimie Agro-Industrielle, Université de Toulouse, INRAE, INP, Toulouse (Fr) b Laboratoire de Génie Chimique, Université de Toulouse, CNRS, INP, UPS, Toulouse (Fr)
Molecular Modelling and Optimization of Diesel Hydrotreating Processes
Xiaolin Bia, Nan Zhanga, Robin Smitha
a Centre for Process Integration, Department of Chemical Engineering, University of Manchester, Oxford Road, Manchester, M13 9PL,UK
Modeling aqueous multi-electrolyte systems for the simulation and optimization of concentrated brine processes
Wajeha Tauqir, Adaeze C. Maduako, Xi Yang, George M. Bollas
Department of Chemical and Biomolecular Engineering, UTC Institute for Advanced Systems Engineering, University of Connecticut, 159 Discovery Dr, Storr, CT, 06269, USA
                            14:30 – 16:30
Templar Hall
 SESSION S4-02: Operations and Supply Chains (III)
 Track 2
Supply Chain Optimization Considering Disruption Demand Uncertainty
Oluwadare Badejoa, Marianthi Ierapetritoua
a Department of Chemical and Biomolecular Engineering, University of Delaware, Newark, 19711, USA
Reinforcement Learning for inventory management in multi-echelon supply chains
Guoquan Wuc, Miguel Ángel de Carvalho Serviab, Max Mowbraya
     a Department of Chemical Engineering, University of Manchester, Oxford Road, Manchester, M1 3AL, UK
b Sargent Centre for Process Systems Engineering, Department of Chemical Engineering, Imperial College London,
London, SW7 2AZ, UK
c Department of Chemical and Biomolecular Engineering, National University of Singapore, 117585, Singapore

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