| 用状态方程模拟氨基酸水溶液的热力学性质 |
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| 引用本文： | 屈绍广,王昶昊,施云海,彭昌军,刘洪来.用状态方程模拟氨基酸水溶液的热力学性质[J].医学教育探索,2015(3):281-286. |
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| 作者姓名： | 屈绍广 王昶昊 施云海 彭昌军 刘洪来 |
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| 作者单位： | 华东理工大学化学工程研究所，上海 200237,华东理工大学化学工程研究所，上海 200238,华东理工大学化学工程研究所，上海 200239,华东理工大学化学系，化学工程国家重点实验室，上海 200237,华东理工大学化学系，化学工程国家重点实验室，上海 200238 |
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| 基金项目： | 国家自然科学基金(21276073,21136004),中央高校基本科研业务费（222201313001） |
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| 摘 要： | 将变阱宽方阱链流体状态方程（SWCF VR）应用到氨基酸水溶液系统热力学性质计算中，结合氨基酸水溶液的密度得到了17种氨基酸分子的模型参数。纯粹根据氨基酸和水分子的模型参数，SWCF VR方程能预测17种氨基酸水溶液在不同温度和组成下的密度，总的平均相对偏差为0.43%，结果令人满意。如引入与温度相关的可调参数，该方程能高精度关联氨基酸水溶液的密度，总的平均相对偏差仅为0.012%。通过所获得的可调参数，SWCF VR方程能预测所选氨基酸在水中的溶解度。
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| 关 键 词： | 氨基酸 状态方程 密度 溶解度 |
| 收稿时间： | 2014/6/25 0:00:00 |
Modeling Thermodynamic Properties for Amino Acid Aqueous Solutions Using Equation of State |
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| QU Shao-guang,WANG Chang-hao,SHI Yun-hai,PENG Chang-jun and LIU Hong-lai.Modeling Thermodynamic Properties for Amino Acid Aqueous Solutions Using Equation of State[J].Researches in Medical Education,2015(3):281-286. |
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| Authors: | QU Shao-guang WANG Chang-hao SHI Yun-hai PENG Chang-jun and LIU Hong-lai |
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| Institution: | Research Centre of Chemical Engineering, East China University of Science and Technology, Shanghai 200237, China,Research Centre of Chemical Engineering, East China University of Science and Technology, Shanghai 200238, China,Research Centre of Chemical Engineering, East China University of Science and Technology, Shanghai 200239, China,State Key Laboratory of Chemical Engineering, Department of Chemistry, East China University of Science and Technology, Shanghai 200237, China and State Key Laboratory of Chemical Engineering, Department of Chemistry, East China University of Science and Technology, Shanghai 200238, China |
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| Abstract: | An equation of state for square well chain fluids with variable range (SWCF VR) was applied to calculate thermodynamic properties of amino acid aqueous solutions. The model parameters for 17 amino acids were obtained by combining the densities of amino acid aqueous solutions. SWCF VR can give satisfactory prediction by only using molecular parameters of amino acid and water, and the overall average relative deviation (ARD) of density was 0.43%. Using an adjustable parameter associated with temperature, the density of binary solutions of amino acids can be correlated with a high precision, and ARD was only 0.012%. Coupling with an adjustable parameter from density data, SWCF VR can successfully predict the solubility of amino acid selected in water. |
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| Keywords: | amino acid SWCF VR density solubility |
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