An adiabatic multiphase reactor for diesel hydrodesulfurization (HDS) was simulated with a one-dimensional heterogeneous model. A diesel-type mixture containing benzothiophene, dibenzothiophene, and 4,6-dimethyldibenzothiophene as sulfur components and quinoline as nitrogen components was chosen as feed. A kinetic modeling for the HDS of dibenzothiophene and alkyl-substituted dibenzothiophenes based upon structural contributions was developed. According to a molecular approach the total number of rate and adsorption parameters for the HDS of a set of (substituted)-dibenzothiophenes is 1,133. In the structural contribution approach introduced here the total number of parameters has been reduced to 93.