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Chemical Product and Process Modeling

Ed. by Sotudeh-Gharebagh, Rhamat / Mostoufi, Navid / Chaouki, Jamal


CiteScore 2018: 0.88

SCImago Journal Rank (SJR) 2018: 0.211
Source Normalized Impact per Paper (SNIP) 2018: 0.368

Online
ISSN
1934-2659
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Modeling of Non-catalytic Supercritical Water Oxidation of Phenol

S.M. Ghoreishi
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  • Department of Chemical Engineering, Isfahan University of Technology, Isfahan 84156–83111, Iran
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/ S.M. Shariatmadar Mortazavi
  • Department of Chemical Engineering, Isfahan University of Technology, Isfahan 84156–83111, Iran
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/ Ali Hedayati
  • Department of Chemical Engineering, Isfahan University of Technology, Isfahan 84156–83111, Iran
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Published Online: 2015-11-19 | DOI: https://doi.org/10.1515/cppm-2015-0044

Abstract

The non-catalytic supercritical water oxidation (SCWO) of phenol was modeled using Gopalan-Savage and Thornton-Savage global and network rates. Comparison of experimental data for the phenol conversion with the numerical predictions of this study indicated very close compatibility. Applying the validated model, the phenol conversion and selectivity of various products were studied as a function of effective parameters such as feed phenol concentration, reactor residence time, feed temperature, and feed oxygen concentration. The results of modeling analysis show that an appropriate elevated temperature range (460°C < T <500°C) and long residence time (≈90 s) reduce the concentration of hazardous products (i.e., dimers, dibenzofuran, dibenzo-p-dioxin) and maximize the selectivity of environmental benign products such as water and carbon dioxide. Also, high oxygen concentration (≈0.01 mol/L) increase water and carbon dioxide yield. Moreover, high feed phenol concentrations cause a shortcoming for the SCWO system in terms of phenol conversion and selectivity of desirable environmental products. As a consequence, the feed phenol concentration of ≤2 × 10−3 mol/L is recommended as the appropriate condition.

Keywords: phenol oxidation; supercritical water; non-catalytic SCWO; network mechanism; hazardous waste

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About the article

Published Online: 2015-11-19

Published in Print: 2015-12-01


Citation Information: Chemical Product and Process Modeling, Volume 10, Issue 4, Pages 243–251, ISSN (Online) 1934-2659, ISSN (Print) 2194-6159, DOI: https://doi.org/10.1515/cppm-2015-0044.

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