Search Results (5)

A solubility model of SO₂ in multi-ion electrolyte solutions has been developed by the activity-fugacity relation at vapor-liquid equilibria. The fugacity coefficient of SO₂ in the vapor phase is calculated by the equation of state (EOS) of pure SO₂, and the activity coefficient of SO₂ in the liquid phase is calculated by the Pitzer activity coefficient theory. The model can reproduce the reliable solubility data of SO₂ in pure water and multi-ion electrolyte solutions (Na⁺, K⁺, Cl⁻, ${\mathrm{SO}}_4^{2-}$) within or close to experimental uncertainties. Although the second-order and third-order interaction parameters between SO₂ and Mg²⁺ and Ca²⁺ have been adopted by an approximation, the solubility model can also be extended to predict the SO₂ solubility in seawater. In addition, combining with the EOS of a CO₂-SO₂ fluid mixture, the model can be used to predict the solubility of a CO₂-SO₂ mixture in aqueous electrolyte solutions. The calculated results are consistent with experimental data, which indicates that the solubility model has certain predictive ability. Full article

Understanding of CO₂ hydrate–liquid water two-phase equilibrium is very important for CO₂ storage in deep sea and in submarine sediments. This study proposed an accurate thermodynamic model to calculate CO₂ solubility in pure water and in seawater at hydrate–liquid water equilibrium (HL_WE). The van der Waals–Platteeuw model coupling with angle-dependent ab initio intermolecular potentials was used to calculate the chemical potential of hydrate phase. Two methods were used to describe the aqueous phase. One is using the Pitzer model to calculate the activity of water and using the Poynting correction to calculate the fugacity of CO₂ dissolved in water. Another is using the Lennard–Jones-referenced Statistical Associating Fluid Theory (SAFT-LJ) equation of state (EOS) to calculate the activity of water and the fugacity of dissolved CO₂. There are no parameters evaluated from experimental data of HL_WE in this model. Comparison with experimental data indicates that this model can calculate CO₂ solubility in pure water and in seawater at HL_WE with high accuracy. This model predicts that CO₂ solubility at HL_WE increases with the increasing temperature, which agrees well with available experimental data. In regards to the pressure and salinity dependences of CO₂ solubility at HL_WE, there are some discrepancies among experimental data. This model predicts that CO₂ solubility at HL_WE decreases with the increasing pressure and salinity, which is consistent with most of experimental data sets. Compared to previous models, this model covers a wider range of pressure (up to 1000 bar) and is generally more accurate in CO₂ solubility in aqueous solutions and in composition of hydrate phase. A computer program for the calculation of CO₂ solubility in pure water and in seawater at hydrate–liquid water equilibrium can be obtained from the corresponding author via email. Full article

Previous studies have shown that different parameters such as reservoir conditions (e.g., pressure, temperature, and brine chemistry) and wellbore hydraulics influence the scaling tendency of minerals on the surfaces of completion tools in conventional resources. Although different studies have investigated the suitable conditions for the precipitation of scaling minerals, there is still a lack of understanding about the composition of the scaling materials deposited on the surfaces of completion tools in thermal wells. In this study, we presented a laboratory workflow combined with a predictive toolbox to evaluate the scaling tendency of minerals for different downhole conditions in thermal wells. First, the scaling indexes (SIs) of minerals are calculated for five water samples produced from thermal wells located in the Athabasca and Cold Lake areas in Canada using the Pitzer theory. Then, different characterization methods, including scanning electron microscopy (SEM) with energy dispersive X-ray spectrometry (EDS), inductively coupled plasma mass spectrometry (ICP-MS) and colorimetric and dry combustion analyses, have been applied to characterize the mineral composition of scale deposits collected from the surfaces of the completion tools. The results of the SI calculations showed that the scaling tendency of calcite/aragonite and Fe-based corrosion products is positive, suggesting that these minerals can likely deposit on the surfaces of completion tools. The characterization results confirmed the results of the Scaling Index calculations. The SEM/EDS and ICP-MS characterizations showed that carbonates, Mg-based silicates and Fe-based corrosion products are the main scaling components. The results of dry combustion analysis showed that the concentration of organic matter in the scale deposits is not negligible. The workflow presented in this study provides valuable insight to the industry to evaluate the possibility of scaling issues under different downhole conditions. Full article

The interactions of epinephrine ((R)-(−)-3,4-dihydroxy-α-(methylaminomethyl)benzyl alcohol; Eph⁻) with different toxic cations (methylmercury(II): CH₃Hg⁺; dimethyltin(IV): (CH₃)₂Sn²⁺; dioxouranium(VI): UO₂²⁺) were studied in NaCl_aq at different ionic strengths and at T = 298.15 K (T = 310.15 K for (CH₃)₂Sn²⁺). The enthalpy changes for the protonation of epinephrine and its complex formation with UO₂²⁺ were also determined using isoperibolic titration calorimetry: ΔH_HL = −39 ± 1 kJ mol⁻¹, ΔH_H2L = −67 ± 1 kJ mol⁻¹ (overall reaction), ΔH_ML = −26 ± 4 kJ mol⁻¹, and ΔH_M2L2(OH)2 = 39 ± 2 kJ mol⁻¹. The results were that UO₂²⁺ complexation by Eph⁻ was an entropy-driven process. The dependence on the ionic strength of protonation and the complex formation constants was modeled using the extended Debye–Hückel, specific ion interaction theory (SIT), and Pitzer approaches. The sequestering ability of adrenaline toward the investigated cations was evaluated using the calculation of pL_0.5 parameters. The sequestering ability trend resulted in the following: UO₂²⁺ >> (CH₃)₂Sn²⁺ > CH₃Hg⁺. For example, at I = 0.15 mol dm⁻³ and pH = 7.4 (pH = 9.5 for CH₃Hg⁺), pL_0.5 = 7.68, 5.64, and 2.40 for UO₂²⁺, (CH₃)₂Sn²⁺, and CH₃Hg⁺, respectively. Here, the pH is with respect to ionic strength in terms of sequestration. Full article

Lithium-brine is an important potential source of lithium. Much research and investigation has been carried out aimed at lithium recovery from brine. Although the distribution and occurrence status of lithium in brine have important implications for lithium recovery, few reports had correlated to this issue. In this article, a study was carried out to explore the lithium migration behavior during brine evaporation and KCl production process at Qarhan Salt Lake. The occurrence status of lithium both in fresh mined brine and residual brine after evaporation were also speculated by means of lithium concentration evaluation and theoretical calculation based on the Pitzer electrolyte solution theory. Results showed that, for Qarhan brine mined from the Bieletan region, most lithium was enriched in the residual brine during the brine evaporation process. The concentration of lithium in the residual brine could be more than 400 mg/L. More than 99.93% lithium ions in residual brine exist in free ions state and lithium does not precipitate from brine with a density of 1.3649 g/mL. The results also revealed that lithium concentration in wastewater discharged from KCl plants can reach a level of 243.8 mg/L. The investigation results provide a theoretical basis for comprehensive development and utilization of lithium resources in Qarhan Salt Lake. Full article