1) Heat of formation
生成热
1.
Theoretical studies on heat of formation and stability for energetic materials of LLM-105 and its analogues;
含能材料LLM-105及其类似物生成热和稳定性研究
2.
In addition,the heat of formation was calculated by ab initio,semi-empirical,and densi.
同时研究了热解机理,探索性的预测了断裂O—NO2键及C—O键后的产物,并采用从头算法、半经验方法和密度泛函理论分别计算了硝酸丙酯的生成热,由半经验方法中的PM3得到的数值和实验结果符合较好。
3.
The heat of formation (HOF) for a series of polynitroadamantanes was calculated systematically by using density functional theory (DFT) at B3LYP/6-31G * level by means of designed isodesmic reactions without breaking the adamantane skeleton ( i.
在密度泛函理论 (DFT)B3LYP/ 6 3 1G 水平下 ,通过不破裂金刚烷分子骨架 (即选择金刚烷作为参考物 )的等键反应设计 ,比较精确地计算了系列多硝基金刚烷的生成热 。
2) heats of formation
生成热
1.
In this paper we build up a method for calculating the bond dissociation energies of alkylsiliane derivatives and for calculating the heats of formation of alkylsiliane radicals from their group electronegativity.
基于基团电负性用硅烷基的结构参数建立了硅烷基衍生物H3-xRxSi—X键的键离解能以及硅烷基自由基生成热的经验计算方法,利用此方法计算出了一系列H3-xRxSi—X键的键离解能,与已知的28个文献数据比较,平均偏差为4。
2.
The heats of formation were obtained.
用半经验分子轨道(MO)PM3、AM1、MNDO和MINDO/3方法对66种高能化合物进行几何全优化SCF计算,探讨了诸方法计算生成热(ΔHf)与实验值的关系。
3.
The Delft molecular mechanics(DMM) force field and program and the semi empirical molecular orbital AM1 and PM3 methods have been employed to study the geometries, electronical structures and heats of formation of ten conjugated hydrocarbons.
运用Ｄｅｌｆｔ分子力学（ＤＭＭ）力场和程序以及半经验分子轨道ＡＭ１和ＰＭ３方法计算研究了丁二烯、苯、甲苯、联苯、苯乙烯、富烯、、环辛四烯、［２，２］对环烷和菲等１０个共轭烯烃分子的几何构型、电子结构和生成热。
4) heat build up
热生成率
1.
The effect of the load,inflation pressure and speed on the heat build up of tire was investigated,and the heat build up at the groove bottom,shoulder and toe of 195/60HR14 tire under the different conditions was calculated.
分析了轮胎载荷、内压以及速度对轮胎热生成率的影响 ,计算了 195 / 6 0HR14轮胎花纹沟底部、胎肩和胎趾 3个热点在不同条件下的热生成率。
2.
The simplified conditions under which the heat build up of all tire materials was determined were investigated.
探讨了确定轮胎全部材料热生成率的简化条件。
5) heat generation
热生成
6) heat of micelle formation
胶束生成热
1.
From the relation of lnΧCMC-1/T, the average standard mole heat of micelle formation was gained:△Hθm=-13.
由lnΧCMC-1/T关系求得平均标准摩尔胶束生成热△Hθm=-13。
补充资料：生成热
分子式：
CAS号：
性质：恒温恒压下，由稳定状态的单质生成1mol某化合物的反应热，称为该化合物的生成热。当单质与化合物均为0.1MPa下的纯状态时，该反应热称为标准生成热。25℃时的标准生成热可由手册查得。
CAS号：
性质：恒温恒压下，由稳定状态的单质生成1mol某化合物的反应热，称为该化合物的生成热。当单质与化合物均为0.1MPa下的纯状态时，该反应热称为标准生成热。25℃时的标准生成热可由手册查得。
说明：补充资料仅用于学习参考，请勿用于其它任何用途。
参考词条