Asphaltene reaction pathways. 4. Pyrolysis of tridecylcyclohexane and 2-ethyltetralin

Thermal cracking of n -butylcyclohexane at high pressure (100 bar)—Part 2: Mechanistic modeling

“…This structure-reactivity correlation could be applied on alkylcyclohexanes but starts to diverge for those with a side alkyl chain longer than C 4 . Savage et al [17,18] studied tridecylcyclohexane in tubing bomb reactors at 375-450 • C and 1 bar and deduced that thermal cracking of tridecylcyclohexane could be represented by three parallel chain reactions which produce (1) cyclohexane plus tridecene, (2) dodecane plus methylenecyclohexane and (3) numerous minor products. They also showed that these reactions can be explained by free-radical mechanisms i.e.…”

“…Ratz et al [19] also studied cycloalkanes with long side alkyl chain (from C 4 to C 18 ) in stainless batch microreactor at 400 • C and 1 bar to investigate the effect of the alkyl chain length on the global kinetics. They applied the model proposed by Savage et al [17] based on free-radical mechanisms to express a general kinetic model depending on 9 fixed parameters i.e. kinetic rates of elementary reactions and 2 global adjustable parameters.…”

“…Comparison between experimental and simulated BCH conversion (lines correspond to simulations and dots to experimental data[17]). …”

Kinetic and reaction pathway of upgrading asphaltene in supercritical water

“…Asphaltene, insoluble in light n-alkanes and soluble in aromatic solvents, is known as the most complex and heaviest fractions of crude oil, bitumen, heavy oil, or vacuum residue (Savage and Klein, 1988;Sun et al, 2010;Yasar et al, 2001). It usually consists of highly condensed polyaromatic macromolecules bearing long aliphatic chains and alicyclic substituents (Mandal et al, 2012a, b).…”

The Study of Molecular Modeling for Heavy Oil Thermal Cracking

“…Since the knowledge concerning the mechanistic models for HOTC can be obtained from studies of the reactions of heavy hydrocarbons that mimic the structural features of heavy oil, some researchers have studied the pyrolysis of heavy hydrocarbons by the radical network reaction. Savage and co-workers [27][28][29][30][31][32][33][34] carried out detailed research on the pathways, kinetics, and mechanisms for some heavy hydrocarbons such as long-chain n-alkylbenzenes, n-alkylcyclohexanes, n-alkylperhydroarenes, etc. They deduced that the pyrolysis of these feedstocks was consistent with free-radical reaction mechanisms and showed that it permitted speculation into the relevance of heavy hydrocarbon results to asphaltene reactions.…”