The use of Delplots to deduce the key features of reaction networks using nonisothermal kinetics data was examined. Using Delplots, a product’s network rank, i.e., the number of reaction steps required for its formation from a specified reactant “A,” is generally obtained by extrapolating plots of y_i/x_A^r vs x_A to x_A = 0, where at isothermal conditions, contact time was varied to provide the range of conversion supporting the extrapolation. The presently described work addressed the common experimentalists’ technique of using temperature, rather than contact time, to provide the range of conversion. To assess any uncertainties thus introduced, the effect of changing the temperature of kinetic measurements has been addressed for the parallel-series reaction network ; with B₀ = 0. The relative activation energies of the key reactions were varied by ±6 kcal/mol with respect to that for k₁, and temperature was varied between 200 and 1000 K. The resulting Delplot information can appear to suggest different reaction networks if the activation energy difference is too large and the temperature range too wide. The Delplot method classifies species B to be a primary product at low temperature when E₂ > E₁, while it appears to be a secondary product when E₂ < E₁. We suggest, as rough guidelines, that varying temperature to provide variations in conversion in the kinetic study is reasonable for E₁ ∼ 50 kcal/mol if the activation energy difference E₂₁ is in between 3 and −3 kcal/mol.

中文翻译：

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反应温度对平行串联反应网络德洛普特解释的影响

检验了使用Delplots利用非等温动力学数据推导反应网络的关键特征。使用Delplots，产品的网络等级，即，从指定的反应物需要其形成反应步骤的数量“A”，一般是通过外推的曲线图获得的ÿ_我/ X_甲^ř VS X_阿到X_甲= 0，在等温条件下，改变接触时间以提供支持外推的转化率范围。目前描述的工作解决了普通实验人员使用温度而不是接触时间来提供转化范围的技术。为了评估由此引入的任何不确定性，对于并联反应网络，已经解决了改变动力学测量温度的影响。其中B ₀ =0。关键反应的相对活化能相对于k ₁的相对活化能变化了±6 kcal / mol。，并且温度在200到1000 K之间变化。如果活化能差太大和温度范围太宽，则所得的Delplot信息可能表明存在不同的反应网络。当E ₂ > E _1时，Delplot方法将物种B归类为低温下的主要产物，而当E ₂ < E ₁时则似乎是次要产物。我们建议，如粗糙的准则，即变化的温度，以提供在动力学研究转化的变化是合理的ë ₁〜50千卡/摩尔，如果活化能差ê ₂₁是在3和之间-3千卡/摩尔。