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free energy 【物理學】自由能。

free enterprise

Because of the existence of the holes in the system , the molecular fraction q should considered into the free energies and the gibbs functions . when there are few holes or none existing in the system , i . e . , , it corresponds to the liquid state or solid state ; when there are lots of holes and a few atoms existing in the system , i . e . , , it corresponding to the gas state 為了進一步研究固、液、氣三相之間的轉變,我們引入空格點并定義了占據率q ,當空格點幾乎沒有或很少時,即q 1 ,系統對應的是固態或液態;而當空格點很多時,即q 0系統中原子很少,系統對應的則是氣態。

The result indicates that the mg2 + ion around the binding site is very important to stabilize the binding of the ligand to the receptor . the binding free energy estimated by the empirical function favors the system with one mg2 + ion , in which the free energy is about 5 kcal / mol less than the system with mg2 + ion 含有mg2 +離子的情況下比不含mg2 +離子的體系之間的自北京工業大學工學碩士論文一由能之差為一5kcal m ,結果說明結合位點處的mg ‘ ”離子對穩定配體與受體的結合起了重要作用。

Our goal is to establish a simple and effective empirical approach to calculate the conformational entropy and the binding free energy by analysis of j : protein interface . three variables of the binding interface information of 20 protein complexes , including the binding accessible number ( nb ) , hydrophilic pair ( n ^ , ) and apolar solvent - accessible surface areas ( & asaapol ) are analyzed 本論文在此分析了20組蛋白質二聚體分子的結合界面三個有效的參數信息,即界面殘基側鏈可接觸數( n _ b ) 、親水對數( n _ ( pair ) )和非極性溶劑可接近表面積的變化( asa _ ( apol ) ) 。

As long as you use a solar hot water heater in your house , it is very sure that you put money in your pocket . by harnessing the free energy of the sun to preheat water for your use , you can save money and contribute to a healthier environment and community , and so can you save our earth by significantly reducing the emissions of greenhouse gases ghgs 在未來的日子里, vsh產品將源源不斷地為您提供太陽能的好處,特別是太陽能熱水器, “免費的“太陽光將大大降低您全年的gas費用節省50 60 % ,并大大減少您的住屋向大氣排放溫室氣體co2 。

A theoretical model of the ecmm has been founded in this dissertation to study the magnetization and the magnetostrictive characteristics of the ecmm . the results are expected to provide a theoretical guidance for the designing and fabricating of the ecmm . firstly , the exchange energy , magnetic anisotropic energy , zeeman energy , magnetostrictive energy , pure elastic energy and stress energy have been introduced in the landau free energy 為了深入認識磁致伸縮交換耦合多層膜的磁化行為及磁致伸縮特性,本文建立了納米雙相交換耦合磁致伸縮多層膜的理論模型,研究了材料參數對多層膜磁化行為及磁致伸縮特性的影響,為磁致伸縮交換耦合多層膜材料的制備與設計提供理論依據和指導。

According to the thermodynamics theories , reaction free energy and adiabatic temperature in zro2 - b _ 2o _ 3 - mg system have been theoretically calculated and analyzed . results of adiabatic temperature calculation showed that the adiabatic temperature of zro2 - b _ 2o _ 3 - mg system without diluent was 3093k , and it reduced with improvement of diluent content . when the diluent mgo content was 0 ~ 45 % , or the diluent zrbb2 content was 0 ~ 62 % the shs process would occer 絕熱溫度計算表明:稀釋劑含量為零時, zro _ 2 - b _ 2o _ 3 - mg體系的絕熱溫度tad為3093k ,隨著稀釋劑含量的增加絕熱溫度呈現逐漸降低的趨勢,得出了稀釋劑mgo含量在0 45 % ,稀釋劑zrb2含量在0 62 %之間的所有組分的體系均有足夠的熱量來完成燃燒合成反應的結論。

( 2 ) . the cyclic isotherms study of behenic acid and dppc surfactants we investigate the cyclic isotherms of behenic acid and dppc monolayer at different surface pressures , based on the existing theory , we discuss the standard free energy of the system on aggregation of the cyclic isotherms ( 2 )純水亞相上二十二酸、 dppc循環曲線研究河南大學凝聚態物理專業2001級碩士學位論文摘要二十二酸、 dppc單分子膜循環曲線進行了實驗研究,對二十二酸、 dppc在不同壓力處單分子膜循環曲線進行系統研究,并在現有一些理論模型基礎上對其成膜過程分子聚集狀態和熱力學特征進行了理論探討。

3 ) a novel martensitic transformation kinetics model for sma is proposed based on the phenomenological description of the martensitic transformation heat flow - temperature curve and on the linear relationship between the partial derivatives with respect to the temperature of martensite fraction and of gbbis free energy . numerical simulations by utilizing the proposed model are closer to experimental results than those from other models 3 )基于對馬氏體相變熱流-溫度實驗曲線的唯象模擬,以及馬氏體體積分數與熱力勢對溫度偏導數之間的線性關系,建立了一種新的馬氏體相變動力學模型,并與其他模型及實驗結果進行了比較。

The unstable solid solution would disintegrate and transform into carbide phases in these systems of sisocso , tisocso and zrsocso , based on the increase of free energy introduced by the effect mechanical alloying . for the system of wsocso , the solid solution had not transformed into tungsten carbides but an amorphous phase , which was different from those systems . the exist of fe in these experiments , which came from the abrasion of ball - milling tool because of the higher hardness of w and w - c solid solution , would induce the crystalline - to - amorphous phase transformation during milling C50球磨體系中,繼續球磨時,不穩定的固溶體在機械合金化作用下,由于體系能量提高,會發生分解相變,從而可以形成碳化物;對于w扣c50球磨體系, w ? c固溶體具有較高的硬度,磨削不銹鋼質的球磨介質和球磨容器,而引入雜質,其中fe會促使固溶體向非晶相轉變。

We consider the reaction product of treated uranium surface is mainly composed of uo2 , uc ( or ucxoy ) and free carbon . it may be the mainly reason for surface layer containing uc ( or ucxoy ) to improve corrosion resistance . at the same time the change of gibbs free energies of reaction product of supercritical carbon dioxide with uranium has been computed 通過aes分析知co _ 2長時間處理金屬鈾后其表面膜層中確實引入了一定量的碳,同時對高碳鈾和低碳鈾抗腐蝕性能的對比可說明金屬鈾表面膜層中碳的存在形式對鈾試樣抗腐蝕性能有很大的影響。

The latter plays a very important role in the study of the mechanism and dynamics of the recognition . it includes the molecular modeling , confirming the binding sites , the calculation of interactions between receptor and ligand , the docking research of the complex , the calculation of dynamic and thermodynamic properties etc . many theoretical calculation methods are involved , such as quantum chemistry , molecular mechanisms , molecular dynamics , monte carlo method and free energy calculation and so on 其中計算機模擬方法是研究分子識別機制及其動態過程的重要途徑,包括底物及受體分子模型的構建、底物及受體相互作用位點的確定、相互作用力的計算、底物及受體分子的對接及其動態過程的研究、體系熱力學及動力學性質的計算等方面內容。

The coefficients corresponding to those of landau free energy are associated with some kinds of statistical average , so they are related to temperature . using the molecular interaction potential , with proper potential parameters , we also calculate the order - parameter tensors “ phases which are depended on the reduced temperature 選擇一定的勢參數,從分子的作用勢出發,通過自洽的方法進行數值計算,求得bp和bp的序參量張量各系數與約化溫度的關系曲線。

The second one is poplar wood ( 3 . 41 mj / m2 ) , and the chinese fir wood has the lowest polar free energy ( 0 . 74 mj / m2 ) . the result of the surface polar free energy has shown the hydrophilic adsorption of the wood surface 這一結果表明不同木材表面對極性的小分子物質(如水分子)有不同的吸附能力,其中馬尾松木材表面對水分的親和性較強。

The research of gibbs free energy , critical nucleus radius , nucleation rate of homogeneous nucleation “ and heterogeneous nucleation shows that the main reason decreasing solution stability is heterogeneous nucleation 通過分析非均相成核與均相成核的臨界成核半徑、臨界晶核形成功、成核速率等,說明降低溶液穩定性的主要因素是非均相成核。

Water transmitting rate of unsaturated soil also increased with the increasing of relative partial molal free energy variation , , and relative partial molal enthalpy variation , , in case that soil water content was constant 結果表明,在同一溫度條件下,提高土壤水勢可增加土壤非飽和導水率,呈現黃綿土> ,土。

It is another hot point to study the surface elastic free energy of liquid crystal 這一項的特殊之處在于:它明顯包含了指向矢的二階導數。

A free energy level 未被占據的能量極

In depicting reaction coordinates it is more customary to plot the free energy on the vertical axis . 在繪畫反應坐標圖時,較通行的是把自由能畫在縱軸上。

This quantity is positive with respect to the free energy of the bulk condensed phase . 對于主體凝結相的自由能來說,這個量是正的。