Development of a Structure-Based Lumping Kinetic Model for Light Gas Oil Hydrodesulfurization

With
adoption of the petroleomics concept, significant effort has been
made to create extensive databases of molecular structures and chemical
and physical properties of complex petroleum mixtures. By collation
of the available information provided by petroleomics, this study
develops a new structure-based lumping kinetic model for hydrodesulfurization
(HDS) of light gas oil. An advanced experimentation system, analytical
technique, and computer software tool are employed to generate the
necessary data. The model contains 16 structure-based lumps, each
of which includes species having a similar structure and reactivity.
The model allows for the tracking of changes in molecular structure
type of the input and output mixtures during HDS. Its prediction capability
is validated over a wide range of HDS operation temperatures (200–375
°C).