New theory in the front of theoretical basis research of molecular thermodynamics 2 semi-metal structural model of organic molecules and theoretic equation of Δ H_ ( f g)~ 0 of pure organic compound 分子热力学前沿基础理论研究中的新理论2:有机分子的半金属结构理论与有机纯质的ΔH(fg)~0理论式
Transforming molecular hydrogen to plasma hydrogen can enhance the reduction ability of hydrogen in the terms of thermodynamics and kinetics. 把分子态的氢转变为等离子态的氢可以从热力学和动力学层面上提高氢还原金属氧化物的能力。
In the leading basic research of molecular thermodynamics new theory 10: a theoretical equation of the normal boiling point for hydrocarbons and carboxylic acids 分子热力学前沿基础研究领域中的新理论10:分子间力相对值的研究与纯质正常沸点理论方程
The progress in the molecular thermodynamics of polymer solution 高分子溶液的分子热力学进展
By studying of molecular composition and the thermodynamics equilibrium, it is found that isomerization of hydrocarbon is benefit to offset the octane loss due to olefin saturation during FCC gasoline hydrotreating process. 催化裂化汽油脱硫降烯烃过程,促进烃类的异构化反应,可以弥补由汽油烯烃饱和组成的辛烷值损失。
It could, however, replicate itself and exchange energy with its surrounding. It is a kind of dissipative structure. From the points of view of molecular biology, biophysics and thermodynamics, prion possesses life phenomenon. 但能自我复制,与环境进行能量交换,是一种耗散结构,从分子生物学、生物物理学以及热力学的观点来看,都表明朊粒具有生命现象。
This paper reviews the recent progress in the molecular thermodynamics of polymer solution. The conclusions are that the density-dependent model, such as equation of state, is the trend of the development in this field, and more accurate experimental data are required. 综述了近年来高分子溶液分子热力学领域的一些进展,认为与密度有关的模型,如状态方程,是该领域发展总的趋势,同时,迫切需要更精确、全面的实验数据。
In this article, a different view and suggestion are given about hydrogen molecular partition function in teaching material of the thermodynamics and statistical physics. 该文就热力学统计物理教材中仲氢分子配分函数的表达式提出了不同看法,并给出了修改建议。
Molecular thermodynamics of salt effect in vapor-liquid equilibrium& calculation of isobaric VLE salt effect parameters for ethanol-water-1-1 type electrolytic systems 汽液平衡盐效应的分子热力学&乙醇-水-1-1型电解质系统恒压汽液平衡盐效应参数的计算
Molecular Pharmacologically Thermodynamics of the Interation between Drugs and Receptors 药物与受体相互作用的分子药理热力学研究
In recent years, as the development of statistical mechanics, molecular thermodynamics and computer simulation, there is a better understanding on the microscopic structure of electrolyte solution. 近年来,随着统计力学和分子热力学的发展、以及计算机模拟的普遍应用,人们对电解质的微观结构有了更深入的了解。
The experimental data of 142 data points in 8 systems were correlated by the two parameter equation based on molecular thermodynamics model and compared with the back-calculated values, the total mean relative deviation is 4.21%. 运用基于分子热力学模型的两参数溶解度方程关联溶解度实验数据,8个体系142个数据点的模型计算值与实验值相比较,总的平均相对误差为4.21%。
Applied Study of Molecular Thermodynamics Model for Polymer Solutions 聚合物溶液分子热力学GCM模型的应用研究
An evolution equation of internal variables which are related to viscoelastic deformation is derived from the theory of molecular motion. Based on this equation and irreversible thermodynamics, a linear viscoelastic constitutive law is found. 本文从分子运动学理论出发建立了表征材料粘弹性变形的内变量演变方程,从不可逆过程热力学的基本方程和该内变量演变方程导出了积分型线性粘弹性应力应变关系。
Geothermal Heat Pump Molecular Thermodynamics of Fluids 流体分子热力学
Molecular thermodynamics for alcohol-hydrocarbon systems(ⅱ) application of 1-2-4 model for VLE studying 醇/烃系统的分子热力学(Ⅱ)1-2-4模型应用于汽液平衡
The structure and properties ( molecular vibration, thermodynamics, activity and stability) of 2,2-dihydroxymethylbutanal ( DMB) were studied by DMol~ 3.And the parameters of the geometry, atomic net charges, and the atomic frontier electron densities were obtained. 采用DMol3程序对2,2-二羟甲基丁醛(DMB)的结构和性质(振动频率、热力学、反应活性及稳定性)进行了理论研究。得到了分子的几何构型和各原子上的电荷分布以及前沿分子轨道能级。
The article discusses it form molecular structure and thermodynamics, concludes that tension and entropy associated are the main factors which influence the stability of chelate and clears up the indistinct recognition. 我们从分子结构和热力学两方面进行了探讨,得出张力和熵变是影响螯合物稳定性的两大主要因素,澄清了人们对此问题的模糊认识。
A method for determination of sulfide by cold vapor molecular absorption spectrometry was studied. Thermodynamics of Vapor Squeeze Cold-work Circulate 研究了用分子吸收光谱法测定硫化物。蒸汽压缩制冷循环的热力学过程
New theory in the front of theoretical basis research of molecular thermodynamics 4: on molecular structure of organic compound and theoretical equation of critical pressure 分子热力学前沿基础领域中的新理论4:论有机纯质的分子结构与临界压力理论方程
Molecular simulation was used to investigate the reaction mechanism, also the reaction thermodynamics and kinetics were calculated theoretically, strengthening an in-depth understanding of the Kolbe-Schmitt reaction. Experimental and computational methods were used to explore the hybrid catalytic mechanism of K2CO3. 使用分子模拟的方法对反应机理以及反应热力学和动力学进行了理论计算;对催化机理进行了实验与理论的探索,加深了对Kolbe-Schmitt反应的了解。
The differences of the molecular structure of PUD impacted to the general properties such as viscosity, particle size and solid content, and the properties in adhesion and thermodynamics had been studied. 研究了不同分子结构对高固含量聚氨酯分散体的粘度、粒径等基本性能,以及对粘结性能和热性能的影响。
In this paper, the crossing domain of molecular thermodynamics and theory of relativity has studied, i.e., relativistic thermodynamics. 本文研究了分子热力学与相对论的交叉领域&相对论热力学。