Extension of Valderrama–Patel–Teja equation of state to modelling single and mixed electrolyte solutions

Masoudi, Rahim; Arjmandi, Mosayyeb; Tohidi, Bahman

doi:10.1016/s0009-2509(03)00007-1

Cited by 17 publications

(21 citation statements)

References 12 publications

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“…CPA-SRK72 EOS efficiently accounts for the physical interactions in mixtures containing associating compounds via combining the Cubic-Plus-Association (CPA) EOS with original Soave–Redlich–Kwong (SRK72) EOS. , Valderrama-Patel-Teja (VPT) EOS employs a nondensity dependent (NDD) mixing rule for calculating the mixture parameters for asymmetric mixtures. This EOS is also successfully extended for prediction of thermodynamic properties for electrolyte solutions, particularly at high-pressure conditions . PC-SAFT EOS, presented by Gross and Sadowski, has found several successful applications, especially for complex mixtures such as mixtures containing associating and polar molecules .…”

Section: Thermodynamic Modelingmentioning

confidence: 99%

Solubility of Flue Gas or Carbon Dioxide-Nitrogen Gas Mixtures in Water and Aqueous Solutions of Salts: Experimental Measurement and Thermodynamic Modeling

Hassanpouryouzband

Farahani

Yang

et al. 2019

Ind. Eng. Chem. Res.

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Over the past few decades, development of innovative techniques for carbon capture and storage (CCS) from power plant flue gas has become imperative due to substantial increase in the global atmospheric concentration of greenhouse gases, particularly anthropogenic CO2. In this regard, it is of utmost importance to have accurate thermodynamic experimental data along with reliable predictive models to be used in the novel CCS techniques such as hydrate-based geological storage methods. In this study, we introduced a new approach to accurately measure the solubility of three different types of simulated power plant flue gases, including coal-fired flue gas, gas-fired flue gas, and syngas, in water and aqueous solutions of NaCl. To mimic real operational conditions, the solubility measurements were carried out over a temperature range from 273.25 to 303.05 K and pressures up to 22 MPa with 5, 10, and 15 wt % NaCl. The experimental data were presented in conjunction with thermodynamic predictions. To predict the solubility of CO2 and N2 in water and brine, we applied three different equations of state, including CPA-SRK72, VPT, and PC-SAFT, with adjusted binary interaction parameters (BIPs) using a wide range of available experimental data. Good agreement between the predictions and the experimental results confirms the reliability of the thermodynamic model. We also performed a series of sensitivity analyses to identify the accuracy range of each EOS in terms of pressure, temperature, and salinity.

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Section: Thermodynamic Modelingmentioning

confidence: 99%

Solubility of Flue Gas or Carbon Dioxide-Nitrogen Gas Mixtures in Water and Aqueous Solutions of Salts: Experimental Measurement and Thermodynamic Modeling

Hassanpouryouzband

Farahani

Yang

et al. 2019

Ind. Eng. Chem. Res.

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“…The inhibitory effect is achieved due to ions Mg 2+ , Ca 2+ and Cl − , which attract water dipoles. Bischofite solutions have a freezing point ≈ −30 ℃ [12][13][14][15]. Therefore, the use of bischofite is acceptable in temperate climate deposits.…”

Section: Introductionmentioning

confidence: 99%

The use of bischofite in the gas industry as an inhibitor of hydrate formation

Dmytrenko

Zezekalo

Vynnykov

2022

IOP Conf. Ser.: Earth Environ. Sci.

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The article considers the possibility of using natural, environmentally friendly, cheap raw materials as the basis of a complex inhibitor of hydration and corrosion. It is proposed to use bischofite solutions with mass fraction of 24% MgCl2 as a carrier of a complex inhibitor. A set of laboratory studies was carried out in order to eliminate the main shortcomings of bischofite solution. Such disadvantages are that highly concentrated solutions of bischofite, untreated from sulfate ions and iron compounds, without a corrosion inhibitor cause corrosion of equipment and salt deposits. According to the results of laboratory studies, the composition of a complex inhibitor of hydroformation and corrosion based on bischofite was proposed. Based on the results of laboratory studies, suitable reagents were selected for preparing a bischofite solution for use in the processes of production and preparation of gas for transport, and the mechanisms of reagents action were proposed. The results of industrial tests show the effectiveness of a new complex inhibitor. The achieved properties of the complex inhibitor have led to the improvement of technical, economic and environmental performance of gas production enterprises of Ukraine.

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“…The second technique, initially proposed by Fürst and Renon [6], is an "intermediate approach" which consists: first, in estimating the compressibility factor Z (without taking account salts) and then, in introducing the previous additional "long range" and "middle range" interactions in the derived residual Helmholtz energy (Vu et al [11] or Sieder and Maurer [12]); we can only regret that "ionic" interactions are not considered for the estimation of the compressibility factor. Another approach proposed by Masoudi et al [13] with cubic EoS assumes that salts are present in all phases; even if this assumption allows much more classical "flash" calculations, it usually leads to hard convergence problems, mainly due to the problematic representation of the "unknown" critical parameters of ions. The purpose of the present work is to extend the fundamental bases of the NRTL-PRA EoS [14] to the prediction of phase equilibria with mixtures containing strong electrolytes.…”

Section: Introductionmentioning

confidence: 99%

Extension of the group contribution NRTL-PRA EoS for the modeling of mixtures containing light gases and alcohols with water and salts

Neau

Nicolas

Avaullée

2018

Fluid Phase Equilibria

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. Extension of the group contribution NRTL-PRA EoS for the modeling of mixtures containing light gases and alcohols with water and salts. Fluid Phase Equilibria, Elsevier, 2018, 458, pp.194-210. 10 AbstractThe offshore exploitation of petroleum fluids in normal conditions of pressure and temperature of transport and in presence of salt water is concerned with the prevention of gas hydrate formation, generally thanks to continuous injection of inhibitors, or punctual injection of methanol in start-up and shut-down operations. Hence, models of interest should provide both, satisfactory phase equilibrium estimations of hydrocarbon and alcohol mixtures with water and reliable predictions of their behavior in presence of salts.In this work, the NRTL-PRA EoS is extended to the prediction of phase equilibria in mixtures containing strong electrolytes. The proposed model assumes that the a and b parameters of the cubic EoS only depend on the solvent mole fractions (salt-free), while the E EoS g excess Gibbs energy describes all the interactions between solvents and ions with only two contributions: the SMR term, specific of "Short and Middle Range" interactions between solvents and salts, and the LR relation proposed by Pitzer-Debye-Hückel, for the description of "Long Range" electrostatic interactions. The proposed electrolyte version of the NRTL-PRA model was successfully extended to the modeling of phase behavior of mixtures of light gases at high pressures (methane, carbon dioxide, nitrogen and hydrogen sulfide) and alcohols (methanol, ethanol and 1-propanol) with water and salts (mainly, ternary mixtures containing sodium chloride). As far as possible, results were compared with those provided, for the same systems, by other literature models (cubic Eos, SAFT and CPA equations).

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Extension of Valderrama–Patel–Teja equation of state to modelling single and mixed electrolyte solutions

Cited by 17 publications

References 12 publications

Solubility of Flue Gas or Carbon Dioxide-Nitrogen Gas Mixtures in Water and Aqueous Solutions of Salts: Experimental Measurement and Thermodynamic Modeling

Solubility of Flue Gas or Carbon Dioxide-Nitrogen Gas Mixtures in Water and Aqueous Solutions of Salts: Experimental Measurement and Thermodynamic Modeling

The use of bischofite in the gas industry as an inhibitor of hydrate formation

Extension of the group contribution NRTL-PRA EoS for the modeling of mixtures containing light gases and alcohols with water and salts

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