一种改进的休克尔分子轨道模型预测纯碳环分子稳定结构

从动力学和统计热力学角度介绍了BET方程中C的物理意义,分析了C的大小对吸附等温线形状的影响,推导了吸附等温线上拐点、B点位置和C大小的关系以及达到单程吸附量时C与相对压力、覆盖表面分数的关系。文章用数学方法介绍了保证C为正值的方法,解释了数据分析中的一个常见现象,还从BET方程的数学形式及物理意义探讨了C的下限。

Discussion on C in BET Equation

In this paper, the physical meaning of C in BET equation is introduced from the view of kinetics and statistical thermodynamics. The influence of the size of C on the shape of adsorption isotherm is analyzed. The relationship between the inflection point, the position of B point and the size of C on the adsorption isotherm is deduced,and the relationship between C and relative pressure, the fraction of covered surface when the adsorption capacity reaches one-way, is also deduced. This paper introduces the method to ensure the positive value of C by mathematical method, explains a common phenomenon in data analysis, and discusses the lower limit of C from the mathematical form and physical meaning of BET equation.