Logo of ACSAuthors: Richard BAUR, Kaushik BASAK, Eddy CREYGHTON, Hans van BEIJNUM, Lawrence (Larry) KRAUS.

Affiliation: Shell

Reference: Energy & Fuels Preprints Volume 57 #2. Presented at the 244th ACS National Meeting 2012. Published by American Chemical Society ( ACS ) Division of Energy and Fuels. ISBN: 9781622762705.Pages 768-771. Curran Associates, Inc. ( Nov 2012 ).


A rigorous steady state Ultra Low Sulphur Diesel (ULSD) kinetic model has been developed by Shell for various in-house applications in the areas of distillate desulfurization and product upgrading. The model was developed based on novel feed sulphur speciation techniques and incorporates detailed reaction kinetic networks. The model has been tuned using extensive dedicated pilot plant data and validated against pilot plant as well as with commercial data. This paper describes the philosophy of the development of the model including feed characterization methods, kinetics, product property estimation methods, and supporting engineering calculations (such as catalyst bed axial delta T and delta P estimates). The model is a part of an integrated process modeling suite with user-friendly interface that is intended for broad use in a variety of applications, including real time optimization. The paper discusses and reviews the accuracy of the model for specific distillate hydrotreating applications.