Reaction network and molecular distribution of sulfides in gasoline and
diesel of FCC process.
Abstract
In order to guide the accurate control of the sulfides in gasoline and
diesel of Fluid Catalytic Cracking (FCC) process, a molecular-level
model was established based on the Structure Oriented Lumping (SOL)
method. According to the molecular composition characteristics of FCC
feed oil, a molecular composition matrix containing 4,148 row vectors
was constructed with 24 structural increments. Using MATLAB software,
the SOL reaction rules were compiled and a complex reaction network
containing of about 110,000 reactions was established. According to the
classification rules, the sulfides in gasoline and diesel represented by
32 and 136 structural vectors were divided into mercaptans, thioethers,
monocyclic thiophenes, benzothiophenes and dibenzothiophenes,
respectively. The conversion law of sulfides in gasoline and diesel was
investigated by tracking their generation paths and reaction paths in
the reaction network. The effects of the operation conditions on the
sulfide contents in gasoline and diesel were calculated quantitatively.