Rong Yang, Shi-Hua Sang*, Yan Feng and Xiao-Tian Tan,
{"title":"318.15 K下NaBr - srbr2 - h2o三元溶液中NaBr平均活度系数的测定及其在相平衡预测中的应用","authors":"Rong Yang, Shi-Hua Sang*, Yan Feng and Xiao-Tian Tan, ","doi":"10.1021/acs.jced.5c00413","DOIUrl":null,"url":null,"abstract":"<p >The mean activity coefficients of NaBr in the NaBr–SrBr<sub>2</sub>–H<sub>2</sub>O ternary solution at 318.15 K were investigated by using the cell potential method. Sodium- and bromide-selective electrodes were used to measure the cell potentials of the NaBr–H<sub>2</sub>O solutions. The standard cell potential (<i>E</i><sup>0</sup>) and electrode response slope (κ) were derived from these measurements. Subsequently, the mean activity coefficients of NaBr in the NaBr–SrBr<sub>2</sub>–H<sub>2</sub>O system were determined for a total ionic strength range of 0.01 to 2.00 mol·kg<sup>– 1</sup>. The ionic strength fraction of SrBr<sub>2</sub> (<i>y</i><sub>b</sub>) was set to 0.0, 0.2, 0.4, 0.6, or 0.8. Using mean activity coefficents and the Pitzer model, we used a programming solver to fit the Pitzer ion interaction parameters θ<sub>Na<sup>+</sup>,Sr<sup>2+</sup></sub> and <i>ψ</i><sub>Na<sup>+</sup>,Sr<sup>2+</sup>,Br<sup>−</sup></sub>. The mean activity coefficients of SrBr<sub>2</sub>, the osmotic coefficient Φ, the water activity <i>a</i><sub>w</sub>, and the excess Gibbs free energy <i>G</i><sup>E</sup> of the mixed solution were calculated. Additionally, the solubility of the ternary system was modeled using the Pitzer model. The predicted values were compared with experimental data at 308.2 and 323 K, confirming the reliability of the modeled results and the good adaptability of the mixed ion interaction parameters for solubility prediction.</p>","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 9","pages":"3656–3664"},"PeriodicalIF":2.1000,"publicationDate":"2025-08-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Measurements of the Mean Activity Coefficients of NaBr in NaBr–SrBr2–H2O Ternary Solutions at 318.15 K and Applications in Prediction of Phase Equilibria\",\"authors\":\"Rong Yang, Shi-Hua Sang*, Yan Feng and Xiao-Tian Tan, \",\"doi\":\"10.1021/acs.jced.5c00413\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p >The mean activity coefficients of NaBr in the NaBr–SrBr<sub>2</sub>–H<sub>2</sub>O ternary solution at 318.15 K were investigated by using the cell potential method. Sodium- and bromide-selective electrodes were used to measure the cell potentials of the NaBr–H<sub>2</sub>O solutions. The standard cell potential (<i>E</i><sup>0</sup>) and electrode response slope (κ) were derived from these measurements. Subsequently, the mean activity coefficients of NaBr in the NaBr–SrBr<sub>2</sub>–H<sub>2</sub>O system were determined for a total ionic strength range of 0.01 to 2.00 mol·kg<sup>– 1</sup>. The ionic strength fraction of SrBr<sub>2</sub> (<i>y</i><sub>b</sub>) was set to 0.0, 0.2, 0.4, 0.6, or 0.8. Using mean activity coefficents and the Pitzer model, we used a programming solver to fit the Pitzer ion interaction parameters θ<sub>Na<sup>+</sup>,Sr<sup>2+</sup></sub> and <i>ψ</i><sub>Na<sup>+</sup>,Sr<sup>2+</sup>,Br<sup>−</sup></sub>. The mean activity coefficients of SrBr<sub>2</sub>, the osmotic coefficient Φ, the water activity <i>a</i><sub>w</sub>, and the excess Gibbs free energy <i>G</i><sup>E</sup> of the mixed solution were calculated. Additionally, the solubility of the ternary system was modeled using the Pitzer model. The predicted values were compared with experimental data at 308.2 and 323 K, confirming the reliability of the modeled results and the good adaptability of the mixed ion interaction parameters for solubility prediction.</p>\",\"PeriodicalId\":42,\"journal\":{\"name\":\"Journal of Chemical & Engineering Data\",\"volume\":\"70 9\",\"pages\":\"3656–3664\"},\"PeriodicalIF\":2.1000,\"publicationDate\":\"2025-08-27\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Chemical & Engineering Data\",\"FirstCategoryId\":\"1\",\"ListUrlMain\":\"https://pubs.acs.org/doi/10.1021/acs.jced.5c00413\",\"RegionNum\":3,\"RegionCategory\":\"工程技术\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"CHEMISTRY, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Chemical & Engineering Data","FirstCategoryId":"1","ListUrlMain":"https://pubs.acs.org/doi/10.1021/acs.jced.5c00413","RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
Measurements of the Mean Activity Coefficients of NaBr in NaBr–SrBr2–H2O Ternary Solutions at 318.15 K and Applications in Prediction of Phase Equilibria
The mean activity coefficients of NaBr in the NaBr–SrBr2–H2O ternary solution at 318.15 K were investigated by using the cell potential method. Sodium- and bromide-selective electrodes were used to measure the cell potentials of the NaBr–H2O solutions. The standard cell potential (E0) and electrode response slope (κ) were derived from these measurements. Subsequently, the mean activity coefficients of NaBr in the NaBr–SrBr2–H2O system were determined for a total ionic strength range of 0.01 to 2.00 mol·kg– 1. The ionic strength fraction of SrBr2 (yb) was set to 0.0, 0.2, 0.4, 0.6, or 0.8. Using mean activity coefficents and the Pitzer model, we used a programming solver to fit the Pitzer ion interaction parameters θNa+,Sr2+ and ψNa+,Sr2+,Br−. The mean activity coefficients of SrBr2, the osmotic coefficient Φ, the water activity aw, and the excess Gibbs free energy GE of the mixed solution were calculated. Additionally, the solubility of the ternary system was modeled using the Pitzer model. The predicted values were compared with experimental data at 308.2 and 323 K, confirming the reliability of the modeled results and the good adaptability of the mixed ion interaction parameters for solubility prediction.
期刊介绍:
The Journal of Chemical & Engineering Data is a monthly journal devoted to the publication of data obtained from both experiment and computation, which are viewed as complementary. It is the only American Chemical Society journal primarily concerned with articles containing data on the phase behavior and the physical, thermodynamic, and transport properties of well-defined materials, including complex mixtures of known compositions. While environmental and biological samples are of interest, their compositions must be known and reproducible. As a result, adsorption on natural product materials does not generally fit within the scope of Journal of Chemical & Engineering Data.