矿床储量的最大熵分布模型研究

根据最大熵原理,以熵作为矿床储量不确定性的量度,采用Lagrange乘子法给出矿床储量的概率密度函数解析式的统一表达式及实用的数值算法.当样本容量和单一矿体储量充分大时,得到储量的最佳密度函数是负指数函数;进一步对分布函数作适当修正,得到Weibull分布模型,并与Pareto定律进行比较,从分布的数学意义上分析这两种分布的内在联系,从而说明最大熵分布比Pareto律更能反映总体的分布规律.     

用铝渣和石灰对铁水预脱硫的热力学

通过热力学计算分析了Al在铁水中与氧和硫反应的平衡活度,当CaO和Al同时加入铁水中,适量的Al会提高CaO的脱硫能力.探讨了在Al的参与下,CaO作为脱硫剂时的脱硫热力学反应机理,以及Al2O3和CaF2对铁水脱硫的作用.     

热机不可逆热力循环新析

在分析实际发动机工作过程的基础上,利用有限时间热力学理论方法,建立了一种新的不可逆热机热力循环模型.根据建立的模型推导出了热机功率、效率及其相互关系的解析表达式,并进行了计算和讨论.该模型包括了内可逆热力循环模型和考虑摩擦、热漏、内部耗散等不可逆因素时的热力循环模型,模型所反映的热机功率--效率特性变化规律与已经收集到的实际热机功率--效率特性曲线相吻合,与实际发动机工作过程相一致.结果表明:建立的模型比较简洁、全面地反映了热机实际工作过程,更具有普遍性.     

半直线上时间随机环境中随机游动的渐近性质

给出了半直线上时间随机环境下随机游动的模型, 并利用马氏链理论研究了该随机游动的常返暂留准则和依概率收敛的大数定律， 得到在非常返情形下的中心极限定理.     

Calculating the Refrigeration Coefficient by Using the Second Law of Thermodynamics

Refrigeration coefficient, ε, is usually calculatedby using the First Law of Thermodynamics. In this paper, anew derivation process is introduced through the combinationof the Second Law of Thermodynamics with the First Law of Thermodynamics. As a result, two new calculationequations for refrigeration coefficient are proposed. Oneequation is equivalent to the common method, but its form isa little complicated for real calculation. Another equation is the further simplification, and can be used to calculate therefrigeration coefficient instead of common method with apermit error.     

Density functional theory study on the insertion reaction mechanism of dibromocarbene with formaldehyde

The insertion reaction mechanism of CBr2 with CH3CH2O has been studied by using the B3LYP/6-311G(d) and CCSD(T)/6-311G(d) at single point. The geometries of reactions,transition state and products were completely optimized. All the transition state is verified by the vibrational analysis and the internal re-action coordinate (IRC) calculations. The results show that reaction (1) is the dominant reaction path,which proceeds via two steps: i) two reactants form an intermediate (IM1),which is an exothermal re-action of 8.62 kJ·mol?1 without energy barrier; ii) P1 is obtained via the TS1 and the H-shift,in which the energy barrier is 44.53 kJ·mol?1. The statistical thermodynamics and Eyring transition state theory with Wigner correction are used to study the thermodynamic and kinetic characters of this reaction in temperature range from 100 to 2200 K. The results show that the appropriate reaction temperature ranges from 200 to 1900 K at 1.0 atm,in which the reaction has a bigger spontaneity capability,equi-librium constant (K) and higher rate constant (k).     

国际标准不确定度评价体系的建立

以模糊数学为基础，提出了模糊误差总合定律，解决了误差子集Ａ和Ｂ之间的概率合成问题，并在此基础上提出了不确定度评定方法。     

热力学与统计物理教学改革初探

本文结合热力学统计物理的教学现状,在缓解授课学时与教学内容的矛盾以及改善学生被动学习状态等方面提出了教学方式和考试方式等具体的改革措施。     

改进的连接性指数用于链烷烃热力学性质与沸点研究

基于邻接矩阵和碳原子特征值ｔｉ建立新的连接性指数＾ｍＱ，其中＾０Ｑ对链烷烃异构体具有很强的区分能力，＾０Ｑ，Ｎ（烷烃中碳原子数）与８５种链烷烃的标准生成焓、标准熵、标准生成自由能和沸点关联，相关系数多在０．９９８以上，属于良好模型，与Ｒａｎｄｉｃ的＾１Ｘ比较，＾０Ｑ具有良好的结构选择性和性质相关性。