Kinetic modeling of the hydrolysis of carbon disulfide catalyzed by either titania or alumina

Tong, Shimin; Lana, I. G. Dalla; Chuang, Karl T.

doi:10.1002/cjce.5450730208

Cited by 21 publications

(8 citation statements)

References 10 publications

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“…This result was backed by Laperdrix et al [14] and Sahibed-Dine et al [15], who studied the process of CS 2 hydrolysis using IR. Tong et al [6] studied the kinetics of CS 2 hydrolysis, and their results agreed with the two-step mechanism mentioned above. Thus, the predominant mechanism for CS 2 hydrolysis remains unknown.…”

supporting

confidence: 64%

“…In addition, the kinetics of CS 2 hydrolysis is considered to be more complicated than the hydrolysis of another sulfur-containing organic compound, COS [6], so it is necessary to investigate the process of CS 2 hydrolysis in detail. Up to now, there have been some experimental studies on the mechanism of CS 2 hydrolysis.…”

mentioning

confidence: 99%

“…Apart from affecting catalysts, the presence of sulfur can also lead to increased corrosion of the reactors used in refining processes [4]. The need to remove CS 2 has become increasingly important, and some technologies-including catalytic hydrolysis, oxidation conversion, and hydrogenation conversion [5][6][7][8][9]-have been developed to remove CS 2 . Attention has recently focused on the hydrolysis of CS 2 due to the mild reaction conditions and relatively few side reactions involved, as well as the fact that it is inexpensive [10].…”

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confidence: 99%

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A theoretical study on the hydrolysis mechanism of carbon disulfide

et al. 2011

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The hydrolysis mechanism of CS(2) was studied using density functional theory. By analyzing the structures of the reactant, transition states, intermediates, and products, it can be concluded that the hydrolysis of CS(2) occurs via two mechanisms, one of which is a two-step mechanism (CS(2) first reacts with an H(2)O, leading to the formation of the intermediate COS, then COS reacts with another H(2)O, resulting in the formation of H(2)S and CO(2)). The other is a one-step mechanism, where CS(2) reacts with two H(2)O molecules continuously, leading to the formation of H(2)S and CO(2). By analyzing the thermodynamics and the change in the kinetic function, it can be concluded that the rate-determining step involves H and OH in H(2)O attacking S and C in CS(2), respectively, causing the C=S double bond to change into a single bond. The two mechanisms are competitive. When performing the hydrolysis of CS(2) with a catalyst, the optimal temperature is below 252°C.

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confidence: 99%

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confidence: 99%

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A theoretical study on the hydrolysis mechanism of carbon disulfide

et al. 2011

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“…Experimentally substantiated kinetics was thus applied in the present study for numerical modeling of reaction kinetics [17]. The COS hydrolysis reaction and relevant kinetics are represented by Equations (8)- (11), respectively.…”

Section: Kinetics and Mathematical Model Of Catalyst Bedmentioning

confidence: 99%

Numerical Modeling and Performance Prediction of COS Hydrolysis Reactor in an Integrated Gasification Fuel Cell in terms of Thermo-Chemical Transport Phenomena

Noh

Lee

et al. 2018

Applied Sciences

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During the recent decades, global warming by greenhouse gas evolution has attracted worldwide attention and ever increasing strict regulations thereon have become institutionalized as international policies. In the process, more environment-friendly power generation technologies have been developed utilizing fossil fuels with a view to timely commercialization. As one such "clean coal" technology, an Integrated Gasification Fuel Cell system is a promising power generation means where a carbonyl sulfide (COS) hydrolysis reactor is installed downstream of coal syngas to remove acidic gas constituents such as H 2 S and COS. The most significant design parameters affecting performance of the COS hydrolysis reactor were selected to be gas hourly space velocity (GHSV), reaction temperature, and length ratio, and numerical modeling was performed considering heat and fluid flow transfer as well as chemical reaction kinetics. Effect of the selected design parameters on the variation of conversion rate and reactant gas mixture concentration were comprehensively investigated to predict performance of the COS hydrolysis reactor. Stochastic modeling of reactor performance was finally performed using Monte Carlo simulation and linear regression fitting.

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“…Experimentally substantiated kinetics was thus applied in the present study for numerical modeling of reaction kinetics [17]. COS hydrolysis reaction and relevant kinetics are represented by Eq.…”

Section: Kinetics and Mathematical Model Of Catalyst Bedmentioning

confidence: 99%

Numerical Modeling and Performance Prediction of COS Hydrolysis Reactor in Integrated Gasification Fuel Cell in terms of Thermo-Chemical Transport Phenomena

Noh¹,

Ko²,

Lee³

et al. 2018

Preprint

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During the recent decades, global warming by greenhouse gas evolution has attracted worldwide attention and evermore strict regulations thereon have become institutionalized as international policies.In the process, more environment-friendly power generation technologies have been developed utilizing fossil fuels with a view to timely commercialization. As one of such "clean coal" technology, Integrated Gasification Fuel Cell system is a promising power generation means and COS hydrolysis reactor is installed downstream of coal syngas to remove acidic gas constituents such as H2S and COS. The most significant design parameters affecting performance of the COS hydrolysis reactor were selected to be GHSV, (catalytic) reaction temperature, and length ratio and numerical modeling was performed considering heat and fluid flow transfer as well as chemical reaction kinetics. Effect of the selected design parameters on the variation of conversion rate and reactant gas mixture concentration were comprehensively investigated to predict performance of COS hydrolysis reactor. Stochastic modeling of reactor performance was finally performed using Monte Carlo simulation and linear regression fitting. Peer-reviewed version available at Appl. Sci. 2018Sci. , 8, 1196 doi:10.3390

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Kinetic modeling of the hydrolysis of carbon disulfide catalyzed by either titania or alumina

Cited by 21 publications

References 10 publications

A theoretical study on the hydrolysis mechanism of carbon disulfide

A theoretical study on the hydrolysis mechanism of carbon disulfide

Numerical Modeling and Performance Prediction of COS Hydrolysis Reactor in an Integrated Gasification Fuel Cell in terms of Thermo-Chemical Transport Phenomena

Numerical Modeling and Performance Prediction of COS Hydrolysis Reactor in Integrated Gasification Fuel Cell in terms of Thermo-Chemical Transport Phenomena

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