Non-stoichiometric systems included
For petroleum, coal and biomass refining/ conversions

For petroleum, coal and biomass refining/ conversions

Surrogate compounds must be used for difficult-to-characterize (termed non-stoichiometric here) feed or reactants of petroleum, coal and biomass conversion processes. The smart-pack built-in data bases of both reaction mechanisms/ chemistries and Thermophysical properties include an extensive list of these compounds for prompt data analysis, development and designs of these processes.


Pyrolysis of coal and biomass

  • The complex mechanism and kinetics of pyrolysis of coal of different ranks from anthracite to bituminous to lignite, has been studied at length and documented by a Difrex team member in a book chapter on the subject.
  • Clear guidelines to account for the phenomena of vitrification, flash, rapid, intermediate and slow pyrolysis of coal that lead to distinctly different gas to liquid product ratio is provided. These guidelines and principles can be very helpful in biomass conversion process development and designs.

Reaction system: FCC 5-Lump reactions with Gas oil feed
GASOIL                  <---->  2.125   gasoline                               Rxn 1
GASOIL                  <---->  8.50    DRYGAS                                 Rxn 2
GASOIL                  <---->  4.1026  LPG                                       Rxn 3
GASOIL                  <---->  19.8851 COKE                                   Rxn 4
gasoline               <---->  4.000   DRYGAS                                 Rxn 5
gasoline               <---->  1.9306  LPG                                       Rxn 6
gasoline               <---->  9.3426  COKE                                    Rxn 7
LPG                        <---->  2.0718  DRYGAS                               Rxn 8

Performance simulation of an FCC reactor for Gas oil conversion has been successfully carried out using surrogate compounds for Gasoil, gasoline, dry gas, LPG and coke

Successful applications of fundamental principles of reaction engineering, instead of pure empiricism, to typical petroleum, coal and biomass conversion processes have been demonstrated