Hongxiang Xu*, Wentao Li, Junfeng Wang*, Jiushuai Deng and Shangqing Chen,
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Based on the ELEC-NRTL and Pitzer model embedded in the Aspen Plus, the phase equilibrium data for the ternary subsystem (Na<sup>+</sup>//Cl<sup>–</sup>-SO<sub>4</sub><sup>2–</sup>-H<sub>2</sub>O, Na<sup>+</sup>//Cl<sup>–</sup>-HPO<sub>4</sub><sup>2–</sup>-H<sub>2</sub>O, and Na<sup>+</sup>//SO<sub>4</sub><sup>2–</sup>-HPO<sub>4</sub><sup>2–</sup>-H<sub>2</sub>O) at 298.15 K and 0.1 MPa taken from the literature were first predicted to verify the applicability of parameters from the default database and literature. Subsequently, the models were optimized by literature solubility data, and then, the obtained parameters can well predict the phase equilibrium data for the ternary subsystem at 298.15 K and 0.1 MPa. All of these will provide basis data for the separation of sodium salt from the Na<sup>+</sup>//Cl<sup>–</sup>-SO<sub>4</sub><sup>2–</sup>-HPO<sub>4</sub><sup>2–</sup>-H<sub>2</sub>O system.</p>","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"69 11","pages":"4158–4170 4158–4170"},"PeriodicalIF":2.0000,"publicationDate":"2024-10-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Phase Equilibrium and Thermodynamic Model for the Na+//Cl–-SO42–-HPO42–-H2O System\",\"authors\":\"Hongxiang Xu*, Wentao Li, Junfeng Wang*, Jiushuai Deng and Shangqing Chen, \",\"doi\":\"10.1021/acs.jced.4c0041710.1021/acs.jced.4c00417\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p >After the NaClO solution was used to purify acetylene gas, the solution contained significant amounts of NaCl, Na<sub>2</sub>SO<sub>4</sub>, and Na<sub>2</sub>HPO<sub>4</sub>. The phase equilibrium data is the most important basic information for recovering sodium salts. In this study, the solubilities and dry-salt phase diagram for the system (Na<sup>+</sup>//Cl<sup>–</sup>-SO<sub>4</sub><sup>2–</sup>-HPO<sub>4</sub><sup>2–</sup>-H<sub>2</sub>O) were systemically studied. The dry-salt phase diagram contained one invariable point, three univariate solubility curves, and three single salt crystallization regions corresponding to NaCl, Na<sub>2</sub>SO<sub>4</sub>, and Na<sub>2</sub>HPO<sub>4</sub>·12H<sub>2</sub>O at 298.15 K and 0.1 MPa. Based on the ELEC-NRTL and Pitzer model embedded in the Aspen Plus, the phase equilibrium data for the ternary subsystem (Na<sup>+</sup>//Cl<sup>–</sup>-SO<sub>4</sub><sup>2–</sup>-H<sub>2</sub>O, Na<sup>+</sup>//Cl<sup>–</sup>-HPO<sub>4</sub><sup>2–</sup>-H<sub>2</sub>O, and Na<sup>+</sup>//SO<sub>4</sub><sup>2–</sup>-HPO<sub>4</sub><sup>2–</sup>-H<sub>2</sub>O) at 298.15 K and 0.1 MPa taken from the literature were first predicted to verify the applicability of parameters from the default database and literature. Subsequently, the models were optimized by literature solubility data, and then, the obtained parameters can well predict the phase equilibrium data for the ternary subsystem at 298.15 K and 0.1 MPa. 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引用次数: 0
摘要
用 NaClO 溶液净化乙炔气体后,溶液中含有大量 NaCl、Na2SO4 和 Na2HPO4。相平衡数据是回收钠盐最重要的基本信息。在本研究中,对系统(Na+//Cl--SO42--HPO42--H2O)的溶解度和干盐相图进行了系统研究。干盐相图包含一个不变点、三条单变量溶解度曲线和三个单盐结晶区,分别对应于 298.15 K 和 0.1 MPa 下的 NaCl、Na2SO4 和 Na2HPO4-12H2O。基于嵌入 Aspen Plus 的 ELEC-NRTL 和 Pitzer 模型,首先预测了文献中的三元子系统(Na+//Cl--SO42--H2O、Na+//Cl--HPO42--H2O 和 Na+//SO42--HPO42--H2O)在 298.15 K 和 0.1 MPa 下的相平衡数据,以验证默认数据库和文献中参数的适用性。随后,根据文献中的溶解度数据对模型进行了优化,得到的参数可以很好地预测三元子系统在 298.15 K 和 0.1 MPa 下的相平衡数据。所有这些都将为从 Na+//Cl--SO42--HPO42--H2O 体系中分离钠盐提供基础数据。
Phase Equilibrium and Thermodynamic Model for the Na+//Cl–-SO42–-HPO42–-H2O System
After the NaClO solution was used to purify acetylene gas, the solution contained significant amounts of NaCl, Na2SO4, and Na2HPO4. The phase equilibrium data is the most important basic information for recovering sodium salts. In this study, the solubilities and dry-salt phase diagram for the system (Na+//Cl–-SO42–-HPO42–-H2O) were systemically studied. The dry-salt phase diagram contained one invariable point, three univariate solubility curves, and three single salt crystallization regions corresponding to NaCl, Na2SO4, and Na2HPO4·12H2O at 298.15 K and 0.1 MPa. Based on the ELEC-NRTL and Pitzer model embedded in the Aspen Plus, the phase equilibrium data for the ternary subsystem (Na+//Cl–-SO42–-H2O, Na+//Cl–-HPO42–-H2O, and Na+//SO42–-HPO42–-H2O) at 298.15 K and 0.1 MPa taken from the literature were first predicted to verify the applicability of parameters from the default database and literature. Subsequently, the models were optimized by literature solubility data, and then, the obtained parameters can well predict the phase equilibrium data for the ternary subsystem at 298.15 K and 0.1 MPa. All of these will provide basis data for the separation of sodium salt from the Na+//Cl–-SO42–-HPO42–-H2O system.
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.