Thermodynamic modeling of gas hydrate formation conditions in the presence of organic inhibitors, salts and their mixtures using UNIQUAC model

Delavar, Hajar; Haghtalab, Ali

doi:10.1016/j.fluid.2015.03.008

Cited by 38 publications

(56 citation statements)

References 106 publications

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“…Considering the presence of the additive, whether it is a promoter that raises the phase equilibrium temperature (pressure) or an inhibitor that lowers the temperature (pressure), the components in the liquid phase should be recalculated. Furthermore, Delavar and Haghtalab [25,26] point out that the mole fraction of each component in aqueous phases can be calculated as:…”

Section: Thermodynamic Model Of Aqueous Phasementioning

confidence: 99%

“…Moreover, among the models of aqueous phase activity, the UNIQUAC model [23] and the modified UNIFAC model [24] were constantly used to calculate aqueous phase. Delavar and Haghtalab [25,26] used the Chen-Guo and UNIQUAC models, referring the Soave-Redlich-Kwong-Huron-Vidal equation of state (SRK-HV EoS) conjunction with the Henry's law, to calculate the gas hydrate formation conditions. Dehaghani and Karami [27] employed the predictive Soave-Redlich-Kwong equation of state (PSRK-EoS) along with the modified Huron-Vidal (MHV1) missing rule and UNIQUAC model to calculate fugacity and activity coefficient of water in equilibrated fluid phases.…”

Section: Introductionmentioning

confidence: 99%

“…However, regardless of using UNIFAC or UNIQUAC model to calculate aqueous phase activity, the gas mole fraction in aqueous phase must be obtained first. Thus, in previous literature [19,[25][26][27][28], Henry's law was used to describe the gas solubility in aqueous phase, and the gas mole fraction in aqueous phase relied on simultaneous Henry constants, the partial molar volume at infinite dilute (presented by Heidemann and Prausnitz [29]) and vapor phase fugacity calculated by the equation of state. It should be noted that both Henry's law and the partial molar volume at infinite dilution are defined on the basis of an imaginary ideal system.…”

Section: Introductionmentioning

confidence: 99%

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Simulation Study on the Influence of Gas Mole Fraction and Aqueous Activity under Phase Equilibrium

Zhao

Wen

et al. 2019

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This work explored the influence of gas mole fraction and activity in aqueous phase while predicting phase equilibrium conditions. In pure gas systems, such as CH4, CO2, N2 and O2, the gas mole fraction in aqueous phase as one of phase equilibrium conditions was proposed, and a simplified correlation of the gas mole fraction was established. The gas mole fraction threshold maintaining three-phase equilibrium was obtained by phase equilibrium data regression. The UNIFAC model, the predictive Soave-Redlich-Kwong equation and the Chen-Guo model were used to calculate aqueous phase activity, the fugacity of gas and hydrate phase, respectively. It showed that the predicted phase equilibrium pressures are in good agreement with published phase equilibrium experiment data, and the percentage of Absolute Average Deviation Pressures are given. The water activity, gas mole fraction in aqueous phase and the fugacity coefficient in vapor phase are discussed.

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Section: Thermodynamic Model Of Aqueous Phasementioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Simulation Study on the Influence of Gas Mole Fraction and Aqueous Activity under Phase Equilibrium

Zhao

Wen

et al. 2019

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“…All these works can be divided into three categories: (i) thermodynamic models, (ii) multiple linear regression (MLR), and (iii) artificial neural networks (ANNs). The popularly used thermodynamic models include Margules equation, Wilson equation, Van Laar equation, nonrandom two liquid (NRTL) model, universal quasichemical (UNIQUAC) model, universal quasichemical functional group activity coefficients (UNIFAC) model, Apelblat equation, and their modifications . MLR is the simplest way to simulate the relationship between solubility and a set of independent variables such as temperature, pressure, solvent composition, and so forth .…”

Section: Introductionmentioning

confidence: 99%

Solubility Measurement and Simulation of Rivaroxaban (Form I) in Solvent Mixtures from 273.15 to 323.15 K

et al. 2015

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The solubility of active pharmaceutical ingredients in various solvents is crucial to their industrial production and the development to final formulations. In this work, the solubility of rivaroxaban (form I) in the binary solvent mixtures of 1-methyl-2-pyrrolidinone with water, methanol, ethanol, and isopropanol from 273.15 to 323.15 K has been experimentally measured. Meanwhile, the dependence of the measured solubility on the temperature as well as on the composition of solvent mixtures has been simulated by Jouyban-Acree (JA) and nonrandom two liquid (NRTL) equations, respectively. The results show that as to the solubility simulation of the studied system JA and NRTL give average relative deviations of 0.1081 and 0.1064, respectively, suggesting that both JA and NRTL can act as an efficient simulation tool for the solubility of rivaroxaban (form I) in pure and mixture solvents at various temperatures.

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“…The interaction parameters of the activity model were fitted using the experimental H 2 S hydrate dissociation data. Delavar et al29 studied systems containing CH 4 , C 2 H 6 , C 3 H 8 , CO 2 , and H 2 S hydrates along with inhibitors applying the original UNI-QUAC activity coefficient model. Despite the simplicity of the proposed model, the results were highly accurate.…”

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confidence: 99%

Application of Extended UNIQUAC Activity Coefficient Model for Predicting the Clathrate Hydrate Stability Conditions

et al. 2019

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The inhibition of gas hydrate (clathrate hydrate) formation plays an important role in petroleum industries. A way to prevent this problem is injecting chemical inhibitors to the transportation pipelines. Two typical kinds of chemical inhibitors are thermodynamic and kinetic inhibitors. The main goal of the current work is to provide a thermodynamic model without using any adjustable parameters for prediction of the dissociation conditions of hydrate for pure and mixed gases including several thermodynamic inhibitors of ethylene glycol (EG), methanol (MeOH), potassium chloride (KCl), calcium chloride (CaCl 2 ), and sodium chloride (NaCl). For this purpose, application of the extended UNIQUAC activity coefficient model along with the van der Waals-Platteuw solid solution theory has been proposed. A comprehensive literature survey has been performed to provide a complete set of experimental data, and 1455 data points have been provided. Comparing the current model results with the experimental data reported in literature, the average absolute deviations (AAD) is 0.50 K which shows the accuracy of the results of the model developed in the current study.

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Thermodynamic modeling of gas hydrate formation conditions in the presence of organic inhibitors, salts and their mixtures using UNIQUAC model

Cited by 38 publications

References 106 publications

Simulation Study on the Influence of Gas Mole Fraction and Aqueous Activity under Phase Equilibrium

Simulation Study on the Influence of Gas Mole Fraction and Aqueous Activity under Phase Equilibrium

Solubility Measurement and Simulation of Rivaroxaban (Form I) in Solvent Mixtures from 273.15 to 323.15 K

Application of Extended UNIQUAC Activity Coefficient Model for Predicting the Clathrate Hydrate Stability Conditions

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