Computer generation of reaction networks and calculation of product distributions in the hydroisomerization and hydrocracking of paraffins on Pt-containing bifunctional catalysts 

 -  Computers and Chemical Engineering, 9(1), p.71-81, 1985 .
<br/><br/> Hydroisomerization and hydrocracking of alkanes proceeds through a complex reaction network involving hundreds of components and intermediates. In the present paper the complete reaction network is generated by computer, using Boolean matrices as logical operators that describe the structure of the hydrocarbons and carbenium ions, and accounting for each elementary step. The use of the complete network to obtain a limited set of elementary rate parameters valid for the hydroisomerization and hydrocracking of any mixture of alkanes, as well as for a more accurate simulation of the process, is outlined. 
<br/><br/><label>Subjects--Topical Terms: </label><br/>CATALYSTS<br/>CHEMICAL REACTIONS - REACTION KINETICS<br/>COMPUTER SIMULATION<br/>PARAFFINS - HYDROCRACKING