You could run the reaction, take solid iron gaseous oxygen, form iron oxide, measure the heat of formation of it, tabulate it. 你可以进行一个反应,用固态铁和氧气生成氧化铁,测量它的生成热,列成表格。
So here, I'm going to have delta H, is just the sum for all the products of delta heat of formation right? 所以这里△H就是所有生成物的,生成热的和,对吧?
Topological research in the ion standard heat of formation 离子标准生成热ΔfH~θm的拓扑研究
Relationship Between the Heat of Combustion, Heat of Formation of Normal Aliphatic Acid and Its Molecular Structure 正脂肪酸的燃烧热和生成热与分子结构的关系
The results calculated show that the predicted values of heat of combustion and heat of formation agree satisfactorily with the experimental values. 计算结果表明,脂肪酮燃烧热和生成热计算值与实验值的一致性令人满意。
Based on the characteristics of molecular structure, the relationship between heat of combustion, heat of formation of aliphatic ketone and its molecular structure is studied with the graph theory. 本文用图论方法探讨了气态脂肪酮的燃烧热和生成热与分子结构的关系,提出了一个结构基础明确的定量关系。
Using A Newly Developed Molecular Descriptor Set To Calculate The Heat Of Formation Of Oxygen Contained Organic Compounds; 从化合物结构出发,提出了一套不依赖于分子的实验性质和其它计算性质的分子结构描述符。
Theoretical Study on Structure, Heat of Formation and Detonation Properties of Picrate-based Energetic Ionic Salts 苦味酸含能离子盐的结构、生成热及爆炸性能理论研究
In this paper, the ionic absolute standard heat of formation is gotten. 本文将给出水溶液中离子的绝对标准生成焓。
Appling these values to the estimation of heat of formation of aliphatic nitro compounds, a satisfied result is given. 硝基化合物是常用的含能材料,其生成热的估算具有重要的意义。
Estimation the Heat of Formation of Span-80 by Experience Additive Methods 用经验加和法估算Span-80的生成热
Hot plate with silicon wafer lowered to heating position. The variation of heat of formation and O-H bond lengths with the adsorption distance have been calculated. The results show that there are two active adsorption site on the model zeolite. 加热板与矽晶圆降低至加热位置。通过模拟计算确定了两个低能吸附位点及相应的吸附热,结果与实验值非常接近。
Appling these values to the estimation of heat of formation of aliphatic nitro compounds, a satisfied result is given. The correlation coefficients ( R) of MLR equation is 0.9970. 应用这些值对脂肪族硝基化合物的生成热进行了估算,取得了满意的结果,其拟合方程的回归系数达到0.9970。
Activity Calculation in Binary System containing Compounds from Standard Heat of Formation of Compounds 由标准生成热计算含有化合物的二元系的活度
Linear enthalpy relationships between heat of formation of complex compounds and heat of protonation of ligands& ⅵ. nickel(ⅱ)-n-( substituted phenyl) glycines 配合物的生成热与配体的质子化热之间的直线焓关系&Ⅵ.Ni(Ⅱ)-N-(取代苯基)氨基乙酸二元体系
The result turned out that the hemolytic activity of the analogues of melittin was correlated with the heat of formation, binding energy, surface area, molecular volume, polarizability, logP and hydration energy. 结果显示,蜂毒肽溶血活性与生成热、键合能、表面积、分子体积、极化能、醇水分配系数、水合能相关。
Linear enthalpy relationships between heat of formation of complex compounds and heat of protonation of ligands& ii. copper ( ii)-2,2,-bipyridyl-aminoacids ternary system 配合物的生成热与配位体的质子化热之间的直线焓关系&Ⅱ.Cu(Ⅱ)-2.2′-联吡啶-氨基酸三元体系
In the paper, it is given that the relation value between relative and absolute heat of formation of hydrated ions by state function method. 本文用状态函数法导出无机化学中水合离子生成热绝对值与相对值之间的关系。
By the models, high heat of formation and frontier electron density of main metabolic site of compounds were both unfavorable to metabolism, which is probably related to the metabolic mechanism of compounds in vivo. 根据所建立的模型,化合物较高的生成热以及主要代谢位置上的前沿电子密度均为代谢的不利因素,这可能与化合物体内代谢历程有关。
The extent of the disproportionation reaction is closely related to temperature, heating time, substituted metal and the heat of formation of the alloys. 歧化反应的程度与加热温度、时间、第三组元M及合金的生成焓关系密切。
Investigation of Heat of Formation of Magnesium Oxychloride 氯氧化镁生成热的研究
Ionic absolute standard heat of formation in aqueous solution 水溶液中离子的绝对标准生成焓
Through calculations of the negative heat of formation of magnesium hydride alloyed by X, it was found that when a little X dissolve into magnesium hydride, the structural stability of alloying systems decreases, which indicates that the dehydrogenation properties of MgH_2 can be improved. 负形成热的计算发现:合金化元素X在镁氢化合物(MgH2)中少量固溶时,体系相结构稳定性变差,预示着解氢能力得到改善。
The standard heat of formation, free energy and heat capacity of dimethyl carbonate ( DMC) are calculated by the method of group contribution. 用Benson基团贡献法计算了碳酸二甲酯的热力学数据△Hf0、△Gf0和热容Cp。
The equilibrium geometry is obtained by optimization using MINDO/ 3 energy gradient method. Calculated heat of formation (-363.34kJ/ mol) agrees fairly well with the result of experiment (-370.82kJ/ mol). 用能量梯度全优化计算获得NG的平衡几何构型,其生成热(-363.34kJ/mol)与实验值(-370.82kJ/mol)相一致。
Research on correlation between chemical bond parameter topological index and standard heat of formation of metal halide 键参数拓扑指数与金属卤化物的标准生成焓△fH的相关性研究
Adopting the effect heat of formation model to predict the intermetallics formed during metal ion implantation into metal Al, the lowest eutectic ( liquidus) was chosen as the effective concentration in the metal-Al binary system. 采用有效形成热模型预测金属离子高温注入金属Al合成金属间化合物,选取金属&Al二元系的最低共晶温度的共晶体(或最低液相温度成分)为有效浓度。
MMX and AMI methods were employed to calculate heat of formation of hypericin ( HYP) in the process of structure change. 用MMX和AMI方法对金丝桃蒽酮(HYP)结构变化过程的生成热进行了计算。
Results The biological activities are closely related to the heat of formation, maximum electricity, special polar, logP and zero order molecular connectivity chi valence index. Some principles of designing antitumor quinolone were suggested. 结果3位取代基的生成热、最大负电荷、特殊极性、logP和零阶价分子连接性指数与活性有良好的线性关系,并提出3位取代基的一些设计原则。