Cover page of Computer Aided Chemical Engineering volume 37Author(s): Cesar PERNALETE¹, Jasper van BATEN², Juan C. URBINA¹ and José F. AREVALO¹

Affiliation: ¹PDVSA and ²AmsterCHEM

Reference:  Pernalete, C. G., van Baten, J., Urbina, J. C., & Arévalo, J. F. (2015). 12th International Symposium on Process Systems Engineering and 25th European Symposium on Computer Aided Process Engineering. Computer Aided Chemical Engineering (Vol. 37, pp. 359–364). Elsevier.


“Hydrotreating is a process widely used in the petroleum industry for producing high quality fuels and as part of a scheme for upgrading heavy crude oil. In this work a hydrotreating model was developed for petroleum cuts with a boiling point range between 390-670 K. It comprises a molecular reconstruction approach based on the entropy maximization criteria to characterize the feed and to develop a kinetic mechanisms based on real compounds as follow: Langmuir-Hinshelwood, direct first order power law and reversible first order power law approaches to hydrodesulfurization, hydrodenitrogenation and aromatic hydrogenation reactions, respectively, on a trickled bed reactor. Only liquid phase reactions were considered, assuming a complete wetting of the catalyst surface. Rigorous phase equilibrium calculations were used in order to calculate the component concentrations in the gas liquid interphase along the reactor length. The model was tuned using data generated under pilot plant test conditions for different temperatures at constant pressure, LHSV and hydrogen/feed. In addition, it was implemented as an interoperable software component based on the CAPE-OPEN standard, where a dedicated thermodynamic package was used to calculate the properties and phase equilibria required for the reactor model calculations. Due to the choice of a fixed reaction set, and a feed based on real compounds, no refinery-reactor specific requirements were present on the used CAPE-OPEN interfaces…”

DOI: 10.1016/B978-0-444-63578-5.50055-4

CAPE-OPEN related papers cited in text:

van Baten, J. and Pons, M. (2014), CAPE‐OPEN: Interoperability in Industrial Flowsheet Simulation Software. Chemie Ingenieur Technik, 86: 1052-1064.