4.1 Calculation of the molecular distribution of product
The molecular composition matrix of delayed coking product containing 9,505 structural vectors was obtained through the calculation of the molecular-level reaction kinetic model at the reaction temperature of 495℃ and the recycle ratio of 0.5. Each structural vector represented one molecule or several molecules with the same structural characteristics. The product molecular composition matrix provided product information of delayed coking at the molecular level. In order to make clear statistics of the product distribution, molecules with the same number of carbons and the same number of Double Bond Equivalent (DBE) were added up.
The DBE-Carbon Number graphs at different residence times in Figure 5 show the change of product distribution as the reaction proceeded. In order to distinguish different group compositions in the graphs, it is stipulated that DBE of olefin = real DBE-0.50, DBE of naphthene = real DBE-0.25, DBE of aromatics = real DBE+0.25.