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| 1 | Activity Model of Fe-Si-B Ternary Metallic Melts显示文摘According to the ion and molecule coexistence theory,the activity model of Fe-Si-B ternary system was established,and the influence of ratio xSi/xFe,boron content and temperature,etc.on the activity of the melt compound was investigated.The results show that the FeB activity is high in the liquid iron,when xSi/xFe is 0.5;the activity of boron increases with increasing the boron content for different contents of xFe and xSi,and the activity of boron at the ratio xFe=0.4 is about one order of magnitude higher than that for the xFe=0.8;The activities of the melt compound were also affected by temperature,but the influencing extent was little.The equal activity diagrams of silicon and boron were drawn for the first time according to the model results. | ZHAO Ding-guo GUO Pei-min ZHAO Pei | 2011 | Journal of Iron and Steel Research(International)2011，18，6： | 7 |
| 2 | Universal thermodynamic model of calculating the mass action concentrations of omponents in a ternary strong electrolyte aqueous solution and its application in the NaCl-KCl-H_2O system显示文摘A universal thermodynamic model of calculating the mass action concentrations of components in a ternary strong elec-trolyte aqueous solution has been developed based on the ion and molecule coexistence theory,and verified in the NaCl-KCl-H2O ternary system at 298.15 K. To compare the difference of the thermodynamic model in binary and ternary strong electrolyte aqueous solutions,the mass action concentrations of components in the NaCl-H2O binary strong electrolyte aqueous solution were also com-puted at 298.15K. A transformation coefficient was required to compare the calculated mass action concentration and reported activ-ity because they were obtained at different standard states and concentration units. The results show that the transformation coeffi-cients between calculated mass action concentrations and reported activities of the same components change in a very narrow range. The calculated mass action concentrations of components in the NaCl-H2O and NaCl-KCl-H2O systems are in good agreement with the reported activities. This indicates that the developed thermodynamic model can reflect the structural characteristics of solutions,and the mass action concentration also strictly follows the mass action law. | Weijie Zhao Hanjie Guo Xuemin Yang Zhigang Dan | 2008 | Journal of University of Science and Technology Beijing2008，15，5： | 5 |
| 3 | Calculating models of mass action concentrations for structural units or ion couples in RbCl-H_2O binary system and RbCl-RbNO_3-H_2O ternary system显示文摘Thermodynamic models of calculating mass action concentrations for structural units or ion couples in RbCl-H2O binary and RbCl-RbNO3-H2O ternary strong electrolyte aqueous solutions were developed based on the ion and molecule coexistence theory at 298.15 K.A transformation coefficient is needed to compare the calculated mass action concentration and the reported activity because they are obtained at different standard states and concentration units.The results show that the transformation coefficients between the calculated mass action concentrations and the reported activities of the same structural units or ion couples in RbCl-H2O binary and RbCl-RbNO3-H2O ternary strong electrolyte aqueous solutions change in a very narrow range.The transformed mass action concentrations of structural units or ion couples in RbCl-H2O binary system are in good agreement with the reported activities. The transformed mass action concentrations of RbCl and RbNO3 in RbCl-RbNO3-H2O ternary solution are also in good agreement with the reported activities,aRbCl and 3RbNOa,with different total ionic strengths as 0.01,0.05,0.1,0.5,1.0,1.5,2.0,3.0 and 3.5 mol/kg,respectively.All those results mean the developed thermodynamic model of strong electrolyte aqueous solutions can reflect structural characteristics of RbCl-H2O binary and RbCl-RbNO3-H2O ternary strong electrolyte aqueous solutions and the mass action concentration also strictly follows the mass action law. | 郭汉杰 杨学民 赵伟洁 | 2010 | Transactions of Nonferrous Metals Society of China2010，20，6： | 1 |
| 4 | KBr-H2O、NH4Br-H2O和ZnBr2-H2O作用浓度计算模型显示文摘建立了强电解质水溶液KBr-H2O、NH4Br-H2O和ZnBr2-H2O作用浓度的计算模型,计算了上述三个溴化物二元水溶液体系在温度为298.15K、质量摩尔浓度达到饱和前的作用浓度.热力学模型计算的组元作用浓度以纯物质为标准态和摩尔分数为浓度单位,与文献报道的组元活度以无限稀为标准态和质量摩尔浓度为浓度单位经过活度的标准态转换后可良好地吻合,且转换系数在计算的浓度范围内基本守恒.以上热力学模型计算的组元作用浓度能反映出强电解质水溶液的结构本质;在本模型的假设下电解质水溶液呈现理想溶液特征,组元的作用浓度在计算的浓度范围内严格遵守质量作用定律. | 赵伟洁 郭汉杰 但智钢 | 2008 | 北京科技大学学报2008，30，8： | 1 |
| 5 | 计算水溶液结构单元或离子对的质量作用浓度通用热力学模型及其在二元和三元水溶液中的应用(英文)显示文摘基于离子与分子共存理论,建立了计算二元和三元强电解质水溶液中结构单元或离子对的质量作用浓度的通用热力学模型;同时,采用4种二元水溶液和2种三元水溶液验证该通用热力学模型。通过转换标准态和浓度单位,用所建立的通用热力学模型计算出的298.15K时4种二元水溶液和2种三元水溶液中结构单元或离子对的质量作用浓度和文献中报道的活度值吻合得很好。因此,可采用本研究提出的通用热力学模型计算出的二元和三元水溶液结构单元或离子对的质量作用浓度预报二元和三元强电解质水溶液中组元的反应能力;同样,也可证实本研究提出的通用热力学模型的假设条件是正确和合理的,即强电解质水溶液是由阳离子和阴离子、H2O分子和其他水合盐复杂分子组成的。基于该通用热力学模型计算出的二元和三元强电解质水溶液结构单元或离子对的质量作用浓度严格服从质量作用定律。 | 杨学民 赵伟洁 柴国明 郭汉杰 张强 | 2011 | Transactions of Nonferrous Metals Society of China2011，21，3： | 1 |
| 6 | Thermodynamic analysis on the formation mechanism of MgO·Al_2O_3 spinel type inclusions in casing steel显示文摘MgO·Al2O3 spinel type inclusions in casing steel were analyzed by scanning electron microscope (SEM) and energy dispersive spectrometer (EDS).The results show that there are three forms.One is pure MgO·Al2O3 spinel,another is the composite oxide of the Mg-Al-Ca-Si-O system,and the third is the complex with oxide as a core covered by sulfide.The formation mechanisms were studied.The influences of slag basicity and vacuum degree on the magnesium content during the vacuum treatment of molten steel and furnace lining in molten steel were calculated with the coexistence theory of slag structure.The results show that the magnesium content increases with the increase in slag basicity and aluminum content in molten steel,and decreases with the increase in CO partial pressure. | Hai-yan Tang Jing-she Li | 2010 | International Journal of Minerals,Metallurgy and Materials2010，17，1： | 1 |
| 7 | A thermodynamic model of calculating mass action concentrations for structural units or ion couples in NaClO_4-H_2O and NaF-H_2O binary solutions and NaClO_4-NaF-H_2O ternary solution显示文摘A thermodynamic model of calculating mass action concentrations for structural units or ion couples in NaClO4-H2O and NaF-H2O binary solutions and NaClO4-NaF-H2O ternary strong electrolyte aqueous solutions was developed based on the ion and molecule coexistence theory (IMCT). A transformation coefficient was needed to compare the calculated mass action concentration and the reported activity, because they were usually obtained at different standard states and concentration units. The results show that transformation coefficients between the calculated mass action concentrations and the reported activities of the same components change in a very narrow range. The transformed mass action concentrations of structural units or ion couples in NaClO4-H2O and NaF-H2O binary solutions agree well with the reported activities. The transformed mass action concentrations of structural units or ion couples in NaClO4-NaF-H2O ternary solution are also in good agreement with the reported activities in a total ionic strength range from 0.1 to 0.9 mol/kg H2O by the 0.1 mol/kg step with different ionic strength fractions of 0, 0.2, 0.4, 0.5, 0.6, 0.8, and 1, respectively. The results indicate that the developed thermodynamic model can reveal the structural characteristics of binary and ternary strong electrolyte aqueous solutions, and the calculated mass action concentrations of structural units or ion couples also strictly follow the mass action law. | Xue-min Yang Wei-jie Zhao Han-jie Guo Qiang Zhang Jian Zhang | 2010 | International Journal of Minerals,Metallurgy and Materials2010，17，5： | 1 |
| 8 | RbCl-H2O二元系和RbCl-RbNO3-H2O三元系作用浓度计算模型显示文摘利用离子-分子共存理论建立温度为298.15K时强电解质水溶液二元系RbCl-H2O和三元系RbCl-RbNO3-H2O作用浓度计算热力学模型。热力学模型计算的以纯物质为标准态、以摩尔分数为浓度单位的RbCl-H2O二元系各组元作用浓度经过转换系数转换后,与文献报道的以无限稀为标准态、以质量摩尔浓度为浓度单位的组元活度吻合良好。RbCl-RbNO3-H2O三元系的RbCl和RbNO3转换后的作用浓度与文献报道的活度在总离子强度为0.01、0.05、0.1、0.5、1.0、1.5、2.0、3.0和3.5mol/kg时均良好吻合。这说明基于离子-分子共存理论建立的作用浓度计算热力学模型能反映强电解质水溶液RbCl-H2O和RbCl-RbNO3-H2O的结构特性;且组元的作用浓度在计算的浓度单位内严格遵守质量作用定律。 | 郭汉杰 杨学民 赵伟洁 焦晋沙 | 2008 | 中国有色金属学报2008，18，E01： | 0 |
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