Funding information
Joint Fund by the National Natural Science Foundation of China and
PetroChina, Grant/Award Number: U1862204
Abstract Based on the structure-oriented lumping method, a
molecular-level reaction kinetic model of the delayed coking process,
which adopted 24 structural increments to construct the feed molecular
matrix containing 2,944 molecules, was established with a reaction
network containing 74,581 reactions using MATLAB. The reliability of the
model was verified by experimental results. According to the
discriminant rules of structural increments, 173 structural vectors in
gasoline and 1,132 structural vectors in diesel were classified into
different group compositions, respectively. The model could track the
reaction path of any specific molecule in the complex thermal cracking
reaction network. The influences of operation conditions such as recycle
ratio on the product distribution could be discovered through the
calculation of the molecular-level model, which is helpful for the
process optimization and precise regulation of product composition for
the delayed coking plants.
KEYWORDS structure-oriented lumping, reaction kinetics, thermal
cracking, reaction network