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SCIENTIFIC HIGHLIGHTS 2018

Heterosegmental Modeling of Long-Chain Molecules and Related Mixtures using PC-SAFT

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  • Research Highlights
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Heterosegmental Modeling of Long-Chain Molecules and Related Mixtures

using PC-SAFT

Fatty-acid-based, long-chain molecules like fatty-acid methyl esters are progressively used as renewable feedstock for the
chemical industry. However, experimental pure-component and mixture data are scarce. Thus, a predictive thermodynamic
modeling is desirable. For this purpose, a heterosegmental approach was developed based on the thermodynamic model
PC-SAFT, which allows for a predictive description of pure-component and mixture properties of long-chain molecules
within a homologous series.