Abstract
In this work, we investigated the phase equilibria and the kinetics of palmitic acid hydrodeoxygenation over Pt/C to produce liquid hydrocarbons as drop-in biofuels. To describe the reaction mixture in detail, the binary interaction parameters of water/hydrogen, water/palmitic acid, water/n-hexadecane, and water/hexadecan-1-ol were estimated for a group contribution model based on the PC-SAFT equation of state using experimental solubility data taken from literature. Kinetic modeling using a power law model based on concentrations, a power law model based on fugacities, and a coupled VLE/power-law model were conducted to evaluate the effects of considering the non-ideality and the phase equilibria of the system. Under the operational conditions studied, the power law model based on concentrations was deemed more suitable to describe the process since it provided a faster implementation and similar outcomes compared to the fugacity-based and the VLE coupled models.
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