𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Computer modeling of infinite reaction sequences: A chemical lumping

✍ Scribed by Michael Frenklach

Publisher
Elsevier Science
Year
1985
Tongue
English
Weight
636 KB
Volume
40
Category
Article
ISSN
0009-2509

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✦ Synopsis

A

lumping method is presented for modeling a system described by an infinite number of consecutive sequences composed of generally reversible reactions wirh an irreversible step connecting the sequences. The lumping technique is based on the similarity in molecular structure and reactivity and is not restricted to a specific reaction order or type, representing the reaction mechanism exactly. The lumping also satisfies the Wei and Kuo condition for exactness. The method is illustrated by an example on detailed modeling of soot formation in hydrocarbon pyrolysis. Computer implementation of the technique is' simple.

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