反应自由能

本文从化学反应自由能与反应进度的关系出发，导出了化学反应平衡点受温度和压力影响的关系式。

In this paper , according to the conception of the extent of reaction and Gibbs free energy of reaction , the shifts of the chemical equilibrium position depending on pressure and temperature has been formulated .

对Al-Al2O3-N2体系的进行了反应热力学分析，研究了温度对反应自由能的影响，计算了添加剂Al2O3不同含量对燃烧反应绝热温度的影响规律。

The thermodynamics of Al-Al_2O_3-N_2 system were analyzed . Studied how temperature affects the free energy of reaction and did calculation of how Al_2O_3 content affects the insulation temperature .

回归分析表明，最大缓冲容量（Mb）和吸附反应自由能（△G°）与吸湿水、有机质和粘粒含量呈高度正相关，与Olsen&P呈强负相关，与pH没有统计上显著的相关性。

Regression analysis showed that the maximum buffering capacity ( Mb ) and free energy of adsorption reaction (△ G °) were highly correlated with hygroscopic water , organic matter and clay content , negatively with olsen-P. There was no statistical correlation with pH.

靶二级结构单元膨胀环、内环、结点的碱基数、药物结构自由能和反应自由能在QSAR方程中有统计意义。

The number of bases comprising the target secondary structural element bulge loop , internal loop , and knot , the free energy of S-ODN (△ G ° 37s ), and reaction (△ G ° 37R ) were important parameters in QSAR equation .

使用估计的反应自由能预测组成性和可变剪接位点

Employing estimative reaction free energy to recognize constitutive and alternative splice sites

作为剪接反应自由能理论估计的一个开端，精确性仍需提高。

As a beginning of the theoretical estimation of the splicing reaction free energy , the accuracy still needs to be improved .

本文根据自由能函数方法求出了碳化物、氮化物、硼化物和氧化物的反应自由能近似方程。

The approximate equation of free - energy for cabides , nitrides , borides and oxides are worked out according to their free energy functions .

通过其反应自由能的变化来衡量判断相图中凝聚相西两组合的平衡线和叁叁组合的三相点。

The equilibrium lines and the triple points in the phase stability diagrams were calculated and selected by the free energy changes associated with the assumed reactions .

使用改进后的剪接位点片段反应自由能表达式预测了人类和小鼠基因中的可变和组成性剪接位点及其侧翼竞争者，预测结果较好，精度比得上最大熵模型等一些当前流行的方法。

The improved estimative expression of reaction free energy is used to predict alternative and constitutive splice sites and their flanking competitors in human and mouse genes , the results are satisfactory .

该式易于和功能联系而对某些功能物理量进行定量估计，前面的剪接反应自由能估计方法也可被纳入到选择压力指数理论框架内。

The expression can easily link with functions and then quantitatively estimate some physical quantity , the foregoing method for estimating the splicing reaction free energy can also be included into the frame of selection pressure index theory .

用耦合反应的自由能变，计算了醋酸铵和酸式盐（例如，磷酸二氢钠和磷酸氢二钠）溶液的pH值。

The pH value of solution of ammonium acetate and acid salt ( e.g. sodium dihydrogen phosphate , disodium hydrogen phosphate ) has been calculated by free energy change of coupling reaction .

热力学分析表明，固溶了W、C原子的粘结相其氧化反应吉布斯自由能比WC氧化反应的吉布斯自由能要低，并随着氧化温度升高，两者差别变大。

The results of thermodynamics showed that the oxidation reaction Gibbs free energy of bonding phase soluted with W and C atoms was lower than that of WC phase .

金属氯化物催化下酯化反应线性自由能方程

The Catalytic Linear Free Energy Equation of Esterification by Metal Chlorides

氧化反应标准自由能变与温度关系图的构建原理及其应用

Mapping and Application of Standard Free Energy of Oxidization Reaction Versus Temperature

用密度泛函方法计算乙酰丙酮铁加氢反应的自由能

Calculation of Gibbs free energy of iron acetylacetone hydrogenating reaction by density functional theory

用其质子传递反应的自由能变，计算了水解常数和水解度。

Their hydrolysis constant and degree of hydrolysis are calculated by free energy change of proton transfer reaction .

同时研究了络合物的缔合常数，探讨了衍生化反应的自由能变化及机理。

Furthermore , the association constant of derivative complex was studied . Standard free energy changes and the mechanism of derivatization reaction were explored .

强调要把元素的金属性与单质的金属性活动性区分开，并分别用电离势和反应的自由能变化（或标准电极电势）来衡量。

Emphasizes the distinguishment of elementary metallicity from metallic activity of elements which should be respectively measured by ionization potential and free energy change of reaction ( or standard electrode potential ) .

介绍了氧化反应标准自由能变与温度关系图的制作原理以及对图的识别，进一步认识并掌握这种图解方法在研究高温干态氧化还原反应变化规律中的应用。

In this paper we give a more detail introduction about drawing principle and recognition of relation curve of standard free energy of oxidation reaction changes from temperature . Further more we discuss the laten application of the method to exploit the regularities of dry oxidation-reduction reaction at high temperature .

本文还计算了该电子转移反应的活化自由能△G。

In addition , the activation free energy △ G for the ET reaction has been evaluated .

TiC涂层反应标准吉布斯自由能变化的计算及其绘图

Calculation and Plotting of Standard Gibbs Free Energy Change for TiC Coating Reaction

在20℃，该蛋白质在常压下去折叠反应的标准自由能与标准体积变化分别为23.45kJmol和-150.3mlmol；

The standard free energy and standard volume change of the protein for unfolding at 20 ℃ is 23.45 kJ / mol and - 150.3 ml / mol , respectively .

分析认为，钎料在陶瓷上的浸润性不仅取决于活性组元与陶瓷之间反应的标准自由能变化ΔG0，还与活性组元在钎料中的存在状态有关。

It was considered that the wetting of ceramics by liquid metal depended not only on the standard free energy change of Δ G 0 of the reaction between the active element and ceramic , but on the existent state of the active element in the braze .

热力学计算表明这些反应的吉布斯自由能均为负值，证实了这些反应的存在。

The thermodynamic calculation indicated that the Gibbs free energy of these reactions were all of negative value , illustrating the existence of these reactions .

从热力学角度分析了固相反应的吉布斯自由能变，印证了固相反应一旦发生，便能进行到底的结论。

Analyzing the Gibbs free energy of solid chemical reactions from thermodynamics , proving the conclusion those solid reactions can go on completely once they begin .

本文根据化学反应的最小自由能原理，建立了一套用于预测复杂化学反应平衡组成的通用数学模型，并编制了相应的程序。

According to the principle of minimum free energy of chemical reaction , this paper establishes a set of mathematic models generally used for predicating complex chemical reaction equilibrium compo-sition and works out the related program .

利用溶液热力学理论，研究了（Ti，Fe）AlC体系钢铁基复合材料可能的反应产物的吉布斯自由能变化。

The variation of Gibbs free energy in steel matrix composite of ( Ti , Fe ) - Al-C system was studied on the basis of solution thermodynamics theory .

由聚丙烯腈的红外光谱端基分析证实了MST组分与铈离子反应产生的自由基能引发烯类聚合。

The end group analysis of polyacrylonitrile by IR spectrum confirmed that the free radical produced by the reaction of MST and eerie ion could initiate the polymerization of vinyl monomer .

还计算了这三个反应体系的活化自由能。

The activation free - energies of the reaction have been calculated .

然后我们可以用反应的，吉布斯自由能把它写出来。

And then we can also write this in terms of the Gibbs free energy for the reaction .