The Thermal Decomposition of Organic Compounds from the Standpoint of Free Radicals. VI. The Mechanism of Some Chain Reactions

Rice, F. O.; Herzfeld, Karl F.

doi:10.1021/ja01317a006

Cited by 334 publications

(174 citation statements)

References 0 publications

Supporting

Mentioning

167

Contrasting

Order By: Relevance

“…Pyrobitumen forms either by aromatic condensation reactions (Ungerer et al, 1988;Behar et al, 1992), or directly from nitrogen sulphur and oxygen (NSO) compounds (Hill et al, 2003). Oil cracking to gas was described as occurring via hydrogen transfer reactions (Bailey et al, 1974;Connan et al, 1975), although it also appears that the mechanism involves free radical reactions (Rice and-Herzfeld 1934), with initiation, hydrogen transfer, decomposition of carbon-carbon bonds by ß-scission, radical isomerization, addition and termination processes in the oil (e.g. Bounaceur et al 2002a;Burkle-Vitzthum et al, 2004).…”

Section: Introductionmentioning

confidence: 99%

Retardation of oil cracking to gas and pressure induced combination reactions to account for viscous oil in deep petroleum basins: Evidence from oil and n-hexadecane pyrolysis at water pressures up to 900 bar

Uguna

Carr²,

Snape

et al. 2016

Organic Geochemistry

View full text Add to dashboard Cite

Section: Introductionmentioning

confidence: 99%

Retardation of oil cracking to gas and pressure induced combination reactions to account for viscous oil in deep petroleum basins: Evidence from oil and n-hexadecane pyrolysis at water pressures up to 900 bar

Uguna

Carr²,

Snape

et al. 2016

Organic Geochemistry

View full text Add to dashboard Cite

“…Steam cracking of hydrocarbons proceeds through a free radical mechanism and three important reaction families can be distinguished (Rice et al, 1931(Rice et al, , 1934: -Carbon-carbon and carbon-hydrogen bond scissions of molecules and the reverse radical-radical recombinations:…”

Section: Structure Of the Single Event Reaction Networkmentioning

confidence: 99%

Challenges of Modeling Steam Cracking of Heavy Feedstocks

Reyniers

Marin

2008

Oil & Gas Science and Technology - Rev. IFP

View full text Add to dashboard Cite

Résumé -Les défis de la modélisation du vapocraquage des hydrocarbures lourdsActuellement les modèles cinétiques du vapocraquage des hydrocarbures, par événements constitutifs, permettent de simuler la conversion de fractions lourdes. Le principal défi pour modéliser le craquage de ces matières lourdes est leur reconstruction moléculaire. Celle-ci dépend du niveau de précision molécu-laire requis du réseau réactionnel et de la caractérisation/méthode de reconstruction de la charge, comme cela est illustré pour les condensats du gaz naturel par exemple. La comparaison entre les prédictions et les résultats obtenus dans une unité pilote montre comment les incertitudes au niveau de la reconstruction de la charge se propagent au niveau des résultats de la simulation. La combinaison du modèle cinétique par événements constitutifs et de la méthode de reconstruction basée sur la maximisation de l'entropie de Shannon, permet d'obtenir des résultats précis si la densité, la repartition en poids ou en volume des fractions PIONA, et les points d'ébullition initiaux, à 50 % et finals sont connus. Moins il y a d'indices spéci-fiés, moins il y a de correspondance entre les résultats simulés et ceux obtenus par expérimentation. La méthodologie développée peut être très simplement élargie à d'autres coupes pétrolières. Abstract -Challenges of Modeling Steam Cracking of Heavy Feedstocks -Today single event microkinetic (SEMK) models for steam cracking of hydrocarbons allow simulating the conversion of heavy fractions. The key challenge to model the cracking behavior of these heavy feedstocks is related to feedstock reconstruction. The latter depends on the required level of molecular detail of the reaction network and of the feedstock characterization/ reconstruction model. This is illustrated for gas condensate feedstocks. Comparison of yield predictions with yields obtained in a pilot

show abstract

“…Radical chain reactions similar to the Rice _ Herzfeld mechanism 25) have often been cited in the papers in polymer degradation. Due to the similarity of polyolefin chemical structures, such a reaction mechanism should explain random degradation of a polymer.…”

Section: Typical Radical Reactions In Polymer Decompositionmentioning

confidence: 99%

“…The bimolecular process of polymer radicals, R, interacting with a large excess of polymer, P, can be considered as the pseudo-first order transformation as in Eq. (25).…”

Section: 2 Intermolecular Hydrogen-abstractionmentioning

confidence: 99%

Distribution Kinetics of Plastics Decomposition

Kodera

McCoy

2003

J. Jpn. Petrol. Inst.

View full text Add to dashboard Cite

Distribution kinetics is a method to analyze polymer reactions kinetically in terms of the molecular-weight (or chain-length) distributions (MWDs) of components in a macromolecular mixture. Governing equations for temporal and spatial dependence of the MWDs are based on population balance equations (PBEs) for the distinguishable species. Moments of the MWDs are related to observable properties, such as average MW and polydispersity, and can be measured for polymeric systems by procedures such as size-exclusion chromatography. The moments are related mathematically to rate parameters in the PBEs. The distribution kinetics approach is thus a method for interpreting experimental observations of MWD dynamics in terms of chemical reaction mechanisms.

show abstract

The Thermal Decomposition of Organic Compounds from the Standpoint of Free Radicals. VI. The Mechanism of Some Chain Reactions

Cited by 334 publications

References 0 publications

Retardation of oil cracking to gas and pressure induced combination reactions to account for viscous oil in deep petroleum basins: Evidence from oil and n-hexadecane pyrolysis at water pressures up to 900 bar

Retardation of oil cracking to gas and pressure induced combination reactions to account for viscous oil in deep petroleum basins: Evidence from oil and n-hexadecane pyrolysis at water pressures up to 900 bar

Challenges of Modeling Steam Cracking of Heavy Feedstocks

Distribution Kinetics of Plastics Decomposition

Contact Info

Product

Resources

About