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统计热力学

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Boltzmann statistics, Fermi-Dirac and Bose- Einstein distribution Statistical method for ideal gas, Heat capacity of solid, Thermodynamics of magnetism, Bose-Einstein gases Bose-Einstein condensation, Fermi-Dirac gases, Free electrons in metal, Information theory.

统计力学导论( S0819)(0,3)波茨曼统计、费米--弟格与波士--爱恩斯坦分布、理想气体之统计、固体之热容量、磁性材料之热力学、波士--爱恩斯坦气体,波士--爱恩斯坦凝结、费米--弟格气体、自由电子、讯息理论。

In the present study, Hartree-Fock and Density Functional Theory with different basis sets were employed to calculate the structural and thermodynamic parameters of 66 thiophenyl, phenyl sulfoxide and phenylsulfonyl cycloalkane carboxylates. With the statistic software SPSS11.5 for windows and GQSARF2.0, the QSAR models relating physicochemical properties of these compounds to their structural and thermodynamic parameters were successfully obtained, using multiple stepwise regression method. The physicochemical properties observed in this work include octanol/water partition coefficient, chromatographic capacity index, toxicity (EC50 and LC50), and solubility etc.

本文采用从头算方法中的Hartree-Fock 方法、密度泛函理论方法(Density functional theory,简称DFT)中的不同基组,计算了苯硫基、苯亚砜基和苯砜基含硫芳香羧酸酯三类共66 个化合物的结构参数和热力学参数,利用SPSS11.5 for windows 统计软件和GQSARF2.0 软件,采用多元逐步回归法拟合得到与溶质-溶剂相互作用有关的物理化学性质与结构参数和热力学参数之间的QSAR 方程,这些物理化学性质包括辛醇/水分配系数、色谱容量因子、毒性(EC50和LC50)、溶解度等。

Temperature, Simple Thermodynamic System, Work, heat and First Law of Thermodynamics, Ideal Gases, Engines, Refrigerators, and The Second Law of Thermodynamics, Reversibility and the Kelvin Temperature Scale, Entropy, Pure Substances, Phase Transitions, Statistical Mechanics, thermal Properties of Solids, Higher-Order Phase Transitions: Critical Phenomena.

温度、简单热力学系、功、热及热力学第一定律、理想气体、热机、致冷机及热力学第二定律、可逆性与Kelvin 温标、Entropy、纯物质、相转变、统计力学、固体的热性质、高阶相转变:临界现象。

Reversible and irreversible thermodynamics, kinetics, quantum mechanics, and statistical thermodynamics are the roots of the described thermal analysis.

可逆和不可逆热力学,动力学,量子力学,热力学和统计所描述的是热分析的根源。

A structual model of generating natural gas hydrate is summarized in this paper. It's genesis conditions are calculated by means of the equations of statistical mech-anics and thermodynamics.

本文概述了生成天然气水合物的结构模型,并利用统计力学和热力学方程计算了它的生成条件,以控制热力学参数防止其生成。

Temperature and the Zeroth Law of Thermodynamics, Simple Thermodynamic System, Work, Heat and First Law of Thermodynamics, Kinetic Theory of the Ideal Gases, The Second Law of Thermodynamics, The Carnot Cycle and the Thermodynamic Temperature, Entropy, Phase Diagram of a Pure Substances, First-Order and Second-Order Phase Transitions, Introduction to Statistical Mechanics (including Partition for Canonical Ensemble, M-B 、 F-D 、 B-E distributions), Thermal Properties of Solids.

热物理 ( S0437)(3,0)/热力学( S0434)(3,0)温度及热力学第零定律,简单热力学系统,功,热及热力学第一定律,理想气体动力论,热力学第二定律,卡诺循环与热力学温标,熵,纯物质的相图,一阶与二阶相变,统计力学简介(包括:正则系综的配分函数,马克斯威尔-玻兹曼分布,费米-狄拉克分布,玻色-爱因斯坦分布等),固体的热性质。

It is pointed out that the main tendency of this study is gradually turned from the traditional solution theory or semiempirical model to statistical mechanics theory , from primitive to nonprimitive electrolyte model, in o rder to estab lish the mo lecu lar thermodynam ic model at h igh level,which can predict them acroscopic thermodynamic properties of electrolyte solution system from the microscopic molecular and ionic parameters.

指出电解质溶液的研究已逐渐从经典的溶液理论和半经验模型转向用统计力学理论进行研究,从电解质的原始模型转向非原始模型。从分子和离子的微观参数出发建立高水平的热力学理论模型,以预测电解质溶液体系的宏观热力学性质,是发展的必然趋势。

It can be consider as a physical effect, or chemical effect, or coaction of both.

基于统计热力学,本研究建立了一个能同时描述生化模型分子体系混合物NMR化学位移及宏观混合性质数据的半经验半理论微观模型,而且能同时关联光谱数据和宏观混合性质,还探索了它们之间相互推算的可能性。

The brick-wall model, which is a statistical and thermodynamical method to calculate the entropy of a black hole, is studied.

本文着重研究了用统计热力学的方法计算黑洞熵的brick-wall模型,利用该模型计算了几种时空背景下量子场的熵。

Course Content: The Basic Laws of Thermodynamics, Thermodynamic Properties of Mass, Phases Equilibrium of One Gas System, Phases Equilibrium and Chemical Equilibrium of Gases System, Thermodynamics of Irreversible Processes, Description of Microstates, Boltzman Statistics, Bose-Einstein Statistics and Fermi-Dirac Statistics, Ensemble theory, The Statistical Theory and Fluctuation Theory for Nonequilibrium States

课程内容:热力学的基本定律、均匀物质的热力学性质、热动平衡判据、单元系的复相平衡、多元系的复相平衡和化学平衡、不可逆过程热力学、微观运动状态的描述、玻尔兹曼统计理论、玻色-爱因斯坦统计和费米-狄拉克统计理论、系综理论、非平衡态统计理论和涨落理论。

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