Thermodynamic modeling of hydrogen sulfide absorption by aqueous N-methyldiethanolamine using the Extended UNIQUAC model

Sadegh, Negar; Stenby, Erling Halfdan; Thomsen, Kaj

doi:10.1016/j.fluid.2015.01.024

Cited by 20 publications

(15 citation statements)

References 35 publications

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“…The end product of the reduction reaction of 2,4‐DNT is 4‐amino‐4‐nitrotoluene (4A2NT) and 2A4NT. The reduction reaction of the aromatic nitro compound to aromatic amines is an electron transfer reaction, which requires six electrons transfer through the formation of intermediates—nitrosobenzene and benzene hydroxylamines . GC‐MS analysis of the samples was not able to detect those intermediates, which may be due to the fast appearance and disappearance of those intermediates .…”

Section: Resultsmentioning

confidence: 99%

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Highly Selective Room Temperature Monoreduction of Dinitro‐arenes by Hydrogen Sulfide under Liquid–Liquid Biphasic Catalysis

Mondal

Sen

2017

Int J of Chemical Kinetics

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Selective reduction of one of the nitro group present in dinitro aromatic compounds by a novel Zinin reagent, H 2 S-laden N-methyldiethanolamine (MDEA) solution, has been explored in the presence of tetra-n-butyl phosphonium bromide as a phase transfer catalyst under the liquid-liquid mode of reaction. Under the room temperature reaction condition, reduction of 2,4-dinitrotoluene (2,4-DNT) with H 2 S-laden MDEA leads to the selective reduction of one nitro group present either at the fourth position to obtain 4-amino-2-nitrotoluene (4A2NT) or at the second position to get 2-amino-4-nitrotoluene (2A4NT). The reaction was very fast to achieve 100% conversion, and the selectivity of 4A2NT is much higher than the 2A4NT. A detailed parametric study was performed to analyze the effect of parameters on 2,4-DNT conversion and selectivity of both the isomers. The apparent activation energy was found to be as high as 46.25 kJ/mol, and the reaction was found to be kinetically controlled. An empirical kinetic model has been developed to correlate with the conversion version time data obtained experimentally. The present system dealt with an industrial problem in dealing with H 2 S, present in by-product gaseous streams of many petroleum and natural gas industries. Novelties in the selective monoreduction lie in that fact that the reaction was done at room temperature

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Section: Resultsmentioning

confidence: 99%

“…Aqueous Phase Equilibrium. In the aqueous MDEA phase, sulfide (S 2− ) and hydrosulfide (HS − ) ions exist in an ionic equilibrium, which is affected by the concentration of the MDEA [62]. The formation of both the anions is shown in Scheme 1 from Eqs.…”

Section: Proposed Mechanism Of Reduction Of 24-dnt Under L-l Ptcmentioning

confidence: 99%

Highly Selective Room Temperature Monoreduction of Dinitro‐arenes by Hydrogen Sulfide under Liquid–Liquid Biphasic Catalysis

Mondal

Sen

2017

Int J of Chemical Kinetics

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“…In the Extended UNIQUAC model the extended Debye − Hückel term is added to the original UNIQUAC 8,9 model in order to allow the model to be used for electrolyte solutions. The model structure has already been explained by Sadegh et al 4,5…”

Section: Model Descriptionmentioning

confidence: 98%

“…Bisulfide ion dissociation reaction (HS − (aq) ↔ H + (aq) + S 2− (aq)) is excluded for modeling work of this study because the amount of sulfide ion is very small and negligible. 5…”

Section: Ionization Of Watermentioning

confidence: 99%

“…3 Representation of the thermodynamic behavior of acid gas removal process form natural gas at operational conditions is important for proper design of natural gas treating plants. The objective of this study is to extend the Extended UNIQUAC model developed earlier by Sadegh et al 4,5 to describe single and mixed acid gas solubility in aqueous MDEA in presence of methane as a makeup gas (at high pressures).…”

Section: Introductionmentioning

confidence: 99%

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Thermodynamic modelling of acid gas removal from natural gas using the Extended UNIQUAC model

Sadegh

Stenby

Thomsen

2017

Fluid Phase Equilibria

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Mathematical Modeling, Parametric Estimation, and Operational Control for Natural Gas Sweetening Processes

Selvan

Panda

2017

ChemBioEng Reviews

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As a result of the increased energy demand and the required environmental compliance, purification of natural gas (NG) need to be processed through more efficient technologies. Most the NG sources contain H2S and CO2 as acidic contaminants causing corrosion, reduction in the calorific value of the fuel, and toxicity. Removal of these gases (gas sweetening) is mostly performed in a reactive absorber followed by a stripper for solvents regeneration. Amine solvents are very suitable due to their natural affinity towards the acid gases. In the setting‐up of newer plants or retrofitting of old units in existing plants to improve the efficiency of the sweetening process, modeling, optimization, and safer operational control of the process have drawn the attention of many researchers. The development of better models must take into account the synthesis and implementation of proper control strategies. Rate‐based, equilibrium, and kinetic models supported by thermodynamic properties of the components have been discussed here and experiments carried out to identify new process models have also been presented.

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Thermodynamic modeling of hydrogen sulfide absorption by aqueous N-methyldiethanolamine using the Extended UNIQUAC model

Cited by 20 publications

References 35 publications

Highly Selective Room Temperature Monoreduction of Dinitro‐arenes by Hydrogen Sulfide under Liquid–Liquid Biphasic Catalysis

Highly Selective Room Temperature Monoreduction of Dinitro‐arenes by Hydrogen Sulfide under Liquid–Liquid Biphasic Catalysis

Thermodynamic modelling of acid gas removal from natural gas using the Extended UNIQUAC model

Mathematical Modeling, Parametric Estimation, and Operational Control for Natural Gas Sweetening Processes

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