scholarly journals Thermal Cracking Furnace Optimal Modeling Based on Enriched Kumar Model by Free-Radical Reactions

Processes ◽  
2020 ◽  
Vol 8 (1) ◽  
pp. 91
Author(s):  
Peng Mu ◽  
Xiangbai Gu
Keyword(s):  
Free Radical ◽  
Molecular Model ◽  
Radical Reaction ◽  
Reaction Network ◽  
Model Parameters ◽  
Free Radical Reaction ◽  
Simulation Accuracy ◽  
Order Of Magnitude ◽  
Relative Errors ◽  
Radical Model

The Kumar model as a molecular model has achieved successful application. However, only 22 reactions limit its veracity and adaptability for feedstocks. A series of models with different degrees of integration of the free radical model and the molecular model has been proposed to enhance feedstock adaptability and simulation accuracy. An improved search engine algorithm, namely Improved PageRank (IPR), is provided and applied to calculate the importance of substances in Kumar model to screen the free-radical reaction network for efficient model selection. A methodology of optimal structure and model parameters chosen is applied to the target to improve the adaptability of the material and the accuracy of the model. Then, two cases with different feedstocks are demonstrated with industrial data to verify the correctness of the proposed approach and its wide feedstock adaptability. The proposed model demonstrates good performance: (1) The mean relative errors (MRE) of the K-R (Kumar and free-radical) model have reached an order of magnitude less than 0.1% compared with 5% in the Kumar model. Further, (2) the K-R model can be implemented to model some feedstocks which Kumar model can’t simulate successfully. The K-R model can be applied in simulation of extensive feedstocks with high accuracy.

Kinetics of the Production of Castor Oil Maleate through the Autocatalyzed Thermal Reaction and the Free Radical Reaction

2017 ◽  
Vol 50 (2) ◽  
pp. 112-121 ◽  
Author(s):  
Dayanne L. H. Maia ◽  
Elenilson G. Alves Filho ◽  
Antonino F. Barros Junior ◽  
Fabiano A. N. Fernandes
Keyword(s):  
Free Radical ◽  
Castor Oil ◽  
Radical Reaction ◽  
Thermal Reaction ◽  
Free Radical Reaction ◽  
Kinetics Of

Manganese(III)-based oxidative free-radical reaction of α-allyl-β-keto ester with molecular oxygen

1993 ◽  
Vol 34 (52) ◽  
pp. 8509-8512 ◽  
Author(s):  
Takashi Ohshima ◽  
Mikiko Sodeoka ◽  
Masakatsu Shibasaki
Keyword(s):  
Free Radical ◽  
Molecular Oxygen ◽  
Radical Reaction ◽  
Free Radical Reaction ◽  
Keto Ester

scholarly journals Gasification Pathways and Reaction Mechanisms of Primary Alcohols in Supercritical Water

2019 ◽  
Author(s):  
Brian Pinkard ◽  
John Kramlich ◽  
Igor V. Novosselov
Keyword(s):  
Free Radical ◽  
Supercritical Water ◽  
Reaction Mechanisms ◽  
Radical Reaction ◽  
Water Environment ◽  
Waste To Energy ◽  
Reaction Pathways ◽  
Free Radical Reaction ◽  
Reaction Products ◽  
Primary Alcohols

<div> <p></p><p>Supercritical water gasification is a promising waste-to-energy technology with the ability to convert aqueous and/or heterogeneous organic feedstocks to high-value gaseous products. Reaction behavior of complex molecules in supercritical water can be inferred through knowledge of the reaction pathways of model compounds in supercritical water. In this study methanol, ethanol, and isopropyl alcohol are gasified in a continuous supercritical water reactor at temperatures between 500 and 560 °C, and for residence times between 3 and 8 s. <i>In situ</i> Raman spectroscopy is used to rapidly identify and quantify reaction products. The results suggest the dominance of chain-branching, free radical reaction mechanisms that are responsible for decomposing primary alcohols in the supercritical water environment. The presence of a catalytic surface is proposed to be highly significant for initiating radical reactions. Global reaction pathways are proposed, and mechanisms for free radical reaction initiation, propagation, and termination are discussed in light of these and previously published experimental results.</p><br><p></p></div>

scholarly journals Gasification Pathways and Reaction Mechanisms of Primary Alcohols in Supercritical Water

2019 ◽  
Author(s):  
Brian Pinkard ◽  
John Kramlich ◽  
Igor V. Novosselov
Keyword(s):  
Free Radical ◽  
Supercritical Water ◽  
Reaction Mechanisms ◽  
Radical Reaction ◽  
Water Environment ◽  
Waste To Energy ◽  
Reaction Pathways ◽  
Free Radical Reaction ◽  
Reaction Products ◽  
Primary Alcohols

<div> <p></p><p>Supercritical water gasification is a promising waste-to-energy technology with the ability to convert aqueous and/or heterogeneous organic feedstocks to high-value gaseous products. Reaction behavior of complex molecules in supercritical water can be inferred through knowledge of the reaction pathways of model compounds in supercritical water. In this study methanol, ethanol, and isopropyl alcohol are gasified in a continuous supercritical water reactor at temperatures between 500 and 560 °C, and for residence times between 3 and 8 s. <i>In situ</i> Raman spectroscopy is used to rapidly identify and quantify reaction products. The results suggest the dominance of chain-branching, free radical reaction mechanisms that are responsible for decomposing primary alcohols in the supercritical water environment. The presence of a catalytic surface is proposed to be highly significant for initiating radical reactions. Global reaction pathways are proposed, and mechanisms for free radical reaction initiation, propagation, and termination are discussed in light of these and previously published experimental results.</p><br><p></p></div>

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