Speciation-based chemical equilibrium model of CaSO4 solubility in the H+Na+Ca+Mg+Al+Fe(II)+Cl+SO4+H2O system
文献类型：期刊论文
| 作者 | Li, Zhibao; Demopoulos, George P. |
| 刊名 | INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
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| 出版日期 | 2007-09-26 |
| 卷号 | 46期号:20页码:6385-6392 |
| 关键词 | partial molal properties multicomponent aqueous-solutions high-pressures transport-properties hcl-cacl2-h2o system temperatures standard electrolytes 100-degrees-c association |
| ISSN号 | 0888-5885 |
| 其他题名 | Ind. Eng. Chem. Res. |
| 中文摘要 | This work describes a self-consistent unified chemical model for calculating the solubility of CaSO4 phases in the H + Na + Ca+ Mg + Al + Fe(II) + Cl + SO4+ H2O system from low to high solution concentration within the temperature range of 298-353 K. The model was built with the aid of OLI Systems platform via the regression of new solubility data of calcium sulfate dihydrate in HCl or HCl + CaCl2 aqueous solutions containing various metal chloride salts, such as NaCl, MgCl2, FeCl2, and AlCl3. Via this regression analysis, new Bromley-Zemaitis activity coefficient model parameters and empirical dissociation constant parameters were determined for many ion pairs consisting of cations (Na+, Mg2+ Fe2+, and Al3+) and anions (SO42-) as well as for the species MgSO4(aq), AlSO4+, and Al(SO4)(2)(-). The new model was HSO4-, and Al(SO4)(2)(-)) shown to successfully predict the solubility of calcium sulfate phases in multicomponent systems not used in model parametrization. The new model is used to explain the complex effect metal chlorides have on the solubility of CaSO4 phases on the basis of governing metal-sulfate speciation equilibria. |
| 英文摘要 | This work describes a self-consistent unified chemical model for calculating the solubility of CaSO4 phases in the H + Na + Ca+ Mg + Al + Fe(II) + Cl + SO4+ H2O system from low to high solution concentration within the temperature range of 298-353 K. The model was built with the aid of OLI Systems platform via the regression of new solubility data of calcium sulfate dihydrate in HCl or HCl + CaCl2 aqueous solutions containing various metal chloride salts, such as NaCl, MgCl2, FeCl2, and AlCl3. Via this regression analysis, new Bromley-Zemaitis activity coefficient model parameters and empirical dissociation constant parameters were determined for many ion pairs consisting of cations (Na+, Mg2+ Fe2+, and Al3+) and anions (SO42-) as well as for the species MgSO4(aq), AlSO4+, and Al(SO4)(2)(-). The new model was HSO4-, and Al(SO4)(2)(-)) shown to successfully predict the solubility of calcium sulfate phases in multicomponent systems not used in model parametrization. The new model is used to explain the complex effect metal chlorides have on the solubility of CaSO4 phases on the basis of governing metal-sulfate speciation equilibria. |
| WOS标题词 | Science & Technology ; Technology |
| 类目[WOS] | Engineering, Chemical |
| 研究领域[WOS] | Engineering |
| 关键词[WOS] | PARTIAL MOLAL PROPERTIES ; MULTICOMPONENT AQUEOUS-SOLUTIONS ; HIGH-PRESSURES ; TRANSPORT-PROPERTIES ; HCL-CACL2-H2O SYSTEM ; TEMPERATURES ; STANDARD ; ELECTROLYTES ; 100-DEGREES-C ; ASSOCIATION |
| 收录类别 | SCI |
| 原文出处 | |
| 语种 | 英语 |
| WOS记录号 | WOS:000249610000002 |
| 公开日期 | 2013-10-15 |
| 版本 | 出版稿 |
| 源URL | [http://ir.ipe.ac.cn/handle/122111/3381]  |
| 专题 | 过程工程研究所_研究所（批量导入） |
| 作者单位 | 1.Chinese Acad Sci, Inst Proc Engn, Beijing 100080, Peoples R China 2.McGill Univ, Dept Min & Mat Engn, Montreal, PQ H3A 2B2, Canada |
| 推荐引用方式 GB/T 7714 | Li, Zhibao,Demopoulos, George P.. Speciation-based chemical equilibrium model of CaSO4 solubility in the H+Na+Ca+Mg+Al+Fe(II)+Cl+SO4+H2O system[J]. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,2007,46(20):6385-6392. |
| APA | Li, Zhibao,&Demopoulos, George P..(2007).Speciation-based chemical equilibrium model of CaSO4 solubility in the H+Na+Ca+Mg+Al+Fe(II)+Cl+SO4+H2O system.INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,46(20),6385-6392. |
| MLA | Li, Zhibao,et al."Speciation-based chemical equilibrium model of CaSO4 solubility in the H+Na+Ca+Mg+Al+Fe(II)+Cl+SO4+H2O system".INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH 46.20(2007):6385-6392. |
入库方式： OAI收割
来源：过程工程研究所
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