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    GNNePCSAFT

    GNNePCSAFT

    Smart Thermodynamic Modeling with Graph Neural Networks

    The project focuses on using Graph Neural Networks (GNN) to estimate the pure-component parameters of the Equation of State PC-SAFT. Currently, the model takes into account the hard-chain, dispersive, and associative terms of PC-SAFT. Future work on polar and ionic terms is being studied. FeOS is used for the PC-SAFT calculations. The estimated parameters can be used in DWSIM and Aspen HYSYS process simulators.
    Downloads: 2 This Week
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