| 化学反应速率常数和反应级数的计算机求解 |
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| 引用本文： | 黄雪征,姬鄂豫.化学反应速率常数和反应级数的计算机求解[J].烟台大学学报(自然科学与工程版),2012,25(3):232-234. |
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| 作者姓名： | 黄雪征 姬鄂豫 |
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| 作者单位： | 1. 南阳理工学院土木工程学院,河南南阳,473004
2. 南阳理工学院生物与化学工程学院,河南南阳,473004 |
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| 摘 要： | 利用VisualBasic编程工具设计了一个计算程序，用于解决复杂的化学反应动力学的反应级数和反应速率常数的计算问题．程序根据线性相关系数R的数值来判断计算反应速率时的最优的时间变化量出，从而保证了计算结果的准确性，同时，程序具有强大的绘图功能，所绘图形美观协调，可形象直观地表达出反应物质的浓度变化趋势以及反应速率的对数值和物质浓度的对数值的线性拟合程度．利用一个反应实例对程序进行了验证，计算结果和文献参考值吻合良好．
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| 关 键 词： | 化学反应速率常数 反应级数 光滑不等距插值 差商 一元线性回归 |
Calculation of Chemical Reaction Constant and Reaction Order by Computer |
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| HUANG Xue-zheng
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JI E-yu.Calculation of Chemical Reaction Constant and Reaction Order by Computer[J].Journal of Yantai University(Natural Science and Engineering edirion),2012,25(3):232-234. |
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| Authors: | HUANG Xue-zheng JI E-yu |
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| Institution: | 1.School of Civil Engineering,Nanyang Institute of Technology,Nanyang 473004,China;2.School of Biological and Chemical Engineering,Nanyang Institute of Technology,Nanyang 473004,China) |
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| Abstract: | The program is complied by the Visual Basic language to calculate the chemical reaction rate constant and the reaction order.The optical time variation dt for calculating the reaction rate is determined by the value of the linear correlation R to ensure the accuracy of the calculation value.Moreover,figures plotted by the program can express the change trend of the species concentration vividly and demonstrate the linear fitting degree of the logarithm of the reaction rate and the species concentration.The program is testified by an example and the results show that the calculation value agrees well with the documents data. |
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| Keywords: | reaction rate constant reaction rate order smooth unequally-spaced interpolation difference quotient one-dimensional linear regression |
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