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14 pages, 1971 KB

Open AccessArticle

Threat and Risk Analysis-Based Neural Network for a Chemical Explosion (TRANCE) Model to Predict Hazards in Petroleum Refinery

by Lalit Rajaramji Gabhane and NagamalleswaraRao Kanidarapu

Toxics 2023, 11(4), 350; https://doi.org/10.3390/toxics11040350 - 7 Apr 2023

Cited by 7 | Viewed by 5549

Abstract

Risk analysis and prediction is a primary monitoring strategy to identify abnormal events occurring in chemical processes. The accidental release of toxic gases may result in severe problems for people and the environment. Risk analysis of hazardous chemicals using consequence modeling is essential to improve the process reliability and safety of the refineries. In petroleum refineries: toluene, hydrogen, isooctane, kerosene, methanol, and naphtha are key process plants with toxic and flammable chemicals. The major process plants considered for risk assessment in the refinery are the gasoline hydrotreatment unit, crude distillation, aromatic recovery, continuous catalytic reformer, methyl–tert–butyl–ether, and kerosene merox units. Additionally, we propose a threat and risk analysis neural network for the chemical explosion (TRANCE) model for refinery incident scenarios. Significantly, 160 attributes were collected for the modeling on the basis of the significance of failure and hazardous chemical leaks in the refinery. Hazard analysis shows that the leakages of hydrogen and gasoline at the gasoline hydrotreatment unit, kerosene at the kerosene merox plant, and crude oil at crude-distillation units were areas of profound concern. The developed TRANCE model predicted the chemical explosion distance with an R² accuracy value of 0.9994 and MSE of 679.5343. Full article

(This article belongs to the Section Exposome Analysis and Risk Assessment)

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12 pages, 1783 KB

Open AccessArticle

Complexes of Transition Metals with Petroleum Porphyrin Ligands: Preparation and Evaluation of Catalytic Ability

by Damir Tazeev, Lenar Musin, Nikolay Mironov, Dmitry Milordov, Elvira Tazeeva, Svetlana Yakubova and Makhmut Yakubov

Catalysts 2021, 11(12), 1506; https://doi.org/10.3390/catal11121506 - 10 Dec 2021

Cited by 19 | Viewed by 3889

Abstract

In the present work, the first data on the catalytic activity of d-metal complexes of petroleum porphyrins obtained via two-stage re-metallization (acid demetallization with subsequent metalation) of high-purity petroleum vanadyl porphyrins are presented. During acid demetallization of petroleum vanadyl porphyrins, the highest yield (49%) and spectral purity of free petroporphyrin bases were achieved with concentrated sulfuric acid and a diluted solution of vanadyl porphyrins in chloroform. In the series of divalent cations of Mn, Fe, Co, Ni, Cu, and Zn, only the last four metals are complexed with demetallated petroporphyrins without significant changes in their component composition, whereas the interaction with Mn and Fe cations causes an evident structural transformation or even full degradation of petroporphyrin macrocycles, respectively. The composition and spectral purity of petroleum porphyrin-containing reactants and products were analyzed by FT-IR, UV-Vis, NMR, and MALDI-TOF mass spectroscopic methods. The obtained petroporphyrin-based d-metal complexes were assayed by the reaction of 2-mercaptoethanol oxidative dimerization, in which the copper porphyrins exhibited the highest catalytic activity. Full article

(This article belongs to the Section Catalytic Materials)

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15 pages, 4450 KB

Open AccessArticle

Synthesis and Catalytic Activity of Activated Carbon Supported Sulfonated Cobalt Phthalocyanine in the Preparation of Dimethyl Disulfide

by Zhiliang Cheng, Mingxing Dai, Xuejun Quan, Shuo Li, Daomin Zheng, Yaling Liu and Rujie Yao

Appl. Sci. 2019, 9(1), 124; https://doi.org/10.3390/app9010124 - 31 Dec 2018

Cited by 11 | Viewed by 6876

Abstract

The Merox process was widely applied in the fine chemical industry to convert mercaptans into disulfides by oxidation with oxygen, including dimethyl disulfide (DMDS). In this paper, a new activated carbon (AC)-supported sulfonated cobalt phthalocyanine (AC-CoPcS) catalyst was prepared through the chemical linkage of ethylenediamine between them. UV−VIS, FT-IR, BET, and XPS were used to characterize the structure of the new catalyst. Then AC-CoPcS was applied to catalyze sodium methylmercaptide (SMM) oxidation for the preparation of DMDS. The effect of process parameters, such as reaction time, catalyst dosage, reaction temperature, and oxygen pressure on SMM conversion per pass (CPP_SMM), yield (Yield_DMDS), and purity of the DMDS (Purity_DMDS) product were investigated to evaluate the catalytic performance of AC-CoPcS. The new supported catalyst exhibits better catalytic performance than the commercial one and can be properly reused four times to obtain CPP_SMM and Yield_DMDS higher than 90% and 70%. Under the optimum experimental conditions, the CPP_SMM and Yield_DMDS could reach as high as 98.7% and 86.8%, respectively, and the purity of the DMDS product is as high as 99.8%. This new supported catalyst exhibits good industrial application prospects. Full article

(This article belongs to the Special Issue Synthesis, Characterization and Application of Hybrid Composites)

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