Competitive H2S – CO2 absorption in reactive aqueous methyldiethanolamine solution: Prediction with ePC-SAFT

Cleeton, Conor; Kvam, Odin; Rea, Riccardo; Sarkisov, Lev; Angelis, Maria Grazia De

doi:10.1016/j.fluid.2019.112453

Cited by 18 publications

(11 citation statements)

References 65 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…In aqueous solutions, the acid components H 2 S and CO 2 react with MDEA, and the ionic equilibrium reactions are expressed as Equations ( 4)-( 9) [35].…”

Section: Aqueous Phase Chemical Equilibriummentioning

confidence: 99%

See 1 more Smart Citation

Modeling CO2, H2S, COS, and CH3SH Simultaneous Removal Using Aqueous Sulfolane–MDEA Solution

Liu¹,

Chang²,

Xiong³

et al. 2021

Processes

View full text Add to dashboard Cite

In this study, a rate-based absorption model coupled with an improved thermodynamic model was developed to characterize the removal of acid components (CO2 and H2S) and organic sulfur (COS and CH3SH) from natural gas with an aqueous sulfolane–MDEA solution. First, the accuracy of the thermodynamic model was validated by comparing the calculated partial pressure of CO2, H2S, and CH3SH with those of the experimental data reported in the literature. Then, the industrial test data were employed to validate the absorption model and the simulation results agreed well with the experimental data. The average relative errors of the removal rates of CO2, COS, and CH3SH are 3.3%, 3.0%, 4.1%, respectively. Based on the validated coupled model, the total mass transfer coefficient and mass transfer resistance of each solute component at different column positions were analyzed. The effects of the gas–liquid ratio, overflow weir height, and absorption pressure on the absorption performance of each component were studied, and the influence of the acid component concentration in the feed gas on the removal efficiency of methyl mercaptan (CH3SH) was also discussed. It is found that the improved absorption model can better characterize the absorption performance and be conducive to the optimal design of the absorber column.

show abstract

“…In aqueous solutions, the acid components H 2 S and CO 2 react with MDEA, and the ionic equilibrium reactions are expressed as Equations ( 4)-( 9) [35].…”

Section: Aqueous Phase Chemical Equilibriummentioning

confidence: 99%

“…v i and v i represent the stoichiometric coefficients of reactants and products, respectively. The chemical equilibrium constant K j of reaction j can be calculated by Equation ( 11) [11,35].…”

Section: Aqueous Phase Chemical Equilibriummentioning

confidence: 99%

Modeling CO2, H2S, COS, and CH3SH Simultaneous Removal Using Aqueous Sulfolane–MDEA Solution

Liu¹,

Chang²,

Xiong³

et al. 2021

Processes

View full text Add to dashboard Cite

show abstract

“…The partial molar volume of amines at infinite dilution in H 2 O V ∞ 1 can be determined by considering the scenario of x 2 = 1 as given in the Equation (10) and partial molar volume of H 2 O at infinite dilution in amines V ∞ 2 can be found by considering the scenario of x 2 = 0 as shown in Equation (11).…”

Section: 𝑉 = 𝑉 − (𝑥 𝑉 + 𝑥 𝑉 )mentioning

confidence: 99%

“…Viscosity data are important to estimate diffusivity using a modified Stoke-Einstein equation [9] that is required perform calculation of mass transfer and kinetics properties [10]. Further, such data are required to build thermodynamic models and to determine model parameters [11,12]. This study provides measured density and viscosity data of aqueous MDEA, DMEA, and DEEA mixtures at different concentrations and temperatures.…”

Section: Introductionmentioning

confidence: 99%

Density, Viscosity, and Excess Properties of MDEA + H2O, DMEA + H2O, and DEEA + H2O Mixtures

2020

View full text Add to dashboard Cite

This study presents measured density and viscosity of N-methyldiethanolamine (MDEA) + H2O, Dimethylethanolamine (DMEA) + H2O, and Diethylethanolamine (DEEA) + H2O mixtures. The density was measured at amine mass fraction w1 from 0.3 to 1 for the temperature range 293.15–353.15 K. The excess molar volumes VE were determined from density data. Redlich–Kister type polynomials were proposed to fit VE and density deviation ln(ργ) to represent measured densities. The viscosity was measured at amine mass fraction w1 from 0.3 to 1 for the temperature range 293.15–363.15 K. The viscosity deviation ηE and excess free energy of activation for viscous flow ΔGE* were determined from measured viscosities and examined for intermolecular interactions among mixture molecules. Correlations were proposed to fit viscosity data with acceptable accuracies. The McAllister’s three-body model was adopted to fit kinematic viscosities determined from density and dynamic viscosity data. The results showed the importance of examining intermolecular interactions that are discussed in McAllister’s four-body model to improve the accuracies of data fits.

show abstract

“…In the last decade, EOS have been favored to model phase behavior for absorption processes. EOS have been applied to model multicomponent systems in broad ranges of temperatures and pressures. ,− These EOS include nonelectrolyte and electrolyte models, as well as models with or without accounting for association forces due to hydrogen bonding. However, each of such different approaches have investigated very specific systems with a scope on a limited range of conditions, without providing very general and broadly applicable framework.…”

Section: Introductionmentioning

confidence: 99%

Predicting Vapor–Liquid Equilibria for Sour-Gas Absorption in Aqueous Mixtures of Chemical and Physical Solvents or Ionic Liquids with ePC-SAFT

Bülow

Ince²,

Hirohama³

et al. 2021

Ind. Eng. Chem. Res.

View full text Add to dashboard Cite

Sour-gas absorption is the main unit operation used in refineries and petrochemical and natural gas processing plants for the effective reduction of climate-wrecking gases, mainly CO 2 and H 2 S. Absorption is typically accomplished in an aqueous solvent mixture. The solvent mixture is vastly dependent on the application range; it might contain chemical solvents (amines), activators, and physical solvents. In this work, the vapor−liquid equilibria for absorption of the sour gases CO 2 and H 2 S was investigated in systems containing the chemical solvent methyl diethanolamine (MDEA) and the physical solvents tetrahydrothiophene-1,1-dioxide (sulfolane) or the ionic liquid 1-butyl-3-methylimidazolium acetate. The solubilities of CO 2 and H 2 S were predicted and validated using experimental literature data in a broad range of temperature (313−373 K), sour-gas loading (up to 2 moles gas per moles of MDEA), and pressure (up to 180 bar) at constant MDEA weight fraction (20.9 wt %) and sulfolane weight fraction (30.5 wt %). The equation-of-state electrolyte perturbed-chain statistical associating fluid theory (ePC-SAFT) was utilized in this work for the predictions combined with the Born term to physically correctly describe the Gibbs energy of solvation of ions in the aqueous mixture of chemical and physical solvents; this was introduced in a recent work [Bulow, M. et al. Fluid Phase Equilib. 2021, 535, 112967]. Using this approach allowed reducing the total number of binary interaction parameters in these systems of maximum 11 species to a minimum; these parameters were fitted exclusively to data of binary mixtures. The ePC-SAFT predictions of the gas solubility were most accurate at low sour-gas loadings and high temperatures. This work provides a thermodynamic framework for the solvent selection for sour-gas absorption in a broad range of conditions. This enables a realistic decrease in experimental effort for solvent selection in sour-gas absorption.

show abstract

Competitive H2S – CO2 absorption in reactive aqueous methyldiethanolamine solution: Prediction with ePC-SAFT

Cited by 18 publications

References 65 publications

Modeling CO2, H2S, COS, and CH3SH Simultaneous Removal Using Aqueous Sulfolane–MDEA Solution

Modeling CO2, H2S, COS, and CH3SH Simultaneous Removal Using Aqueous Sulfolane–MDEA Solution

Density, Viscosity, and Excess Properties of MDEA + H2O, DMEA + H2O, and DEEA + H2O Mixtures

Predicting Vapor–Liquid Equilibria for Sour-Gas Absorption in Aqueous Mixtures of Chemical and Physical Solvents or Ionic Liquids with ePC-SAFT

Contact Info

Product

Resources

About