非等温反应过程中新的动力学方程(英文)

A New Kinetic Equation for Non-Isothermal Reaction Process

对于非等温过程中的动力学方程,正确的Arrhenius方程的温度积分应该是从T2到T1,但是许多动力学方程中的温度积分是从T到0K,例如Ozawa等方程。我们的研究指出对于某些反应,这些方程中的活化能存在较大的误差,因此我们提出了一个新的动力学方程。凭借等转化率法,应用新的方程可以精确求解线性或非线性加热过程中化学反应的活化能。用新方程对2个经典反应(聚酰胺的热裂解和一水草酸钙的热分解)的研究表明:Ozawa方程的活化能有时是精确的,有时偏差太大。

For the kinetic equation in non-isothermal process, the temperature integral for Arrhenius Equation should be from T2 to Ti, but the integral of many current kinetic equations is from T to 0 K, such as Ozawa E- quation. Our work shows that the activation energies from these equations are with larger error for some reactions and a new kinetic equation has been established. By the isoconversional method, the activation energy of chemical reaction in linear or nonlinear heating process can be calculated more accurately by the new equation. The results by the new equation for two classic reactions, the degradation of Polyamide （PA6） and decomposition of Ca （COO）2 ·H20, show that sometimes the activation energy from Ozawa Equation is accurate, and sometimes in larger error.