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group solubility parameter
相关语句
  基团溶解度参数
     Calculation of liquid-liquid equilibrium using group solubility parameter model
     计算液液平衡的基团溶解度参数模型研究
短句来源
     Group Solubility Parameter (GSP) model was studied in order to acquire an effective method for the calculation of LiquidLiquid Equilibrium (LLE). The study is based on the LLE database constructed using Delpbi language. The group solubility parameter is divided into four dimensions, representing four major intermolecular forces.
     为得到一种简便可靠的计算液液平衡的新方法,利用Delphi语言构建了液液平衡数据库,以此为基础对基团溶解度参数模型(GSP模型)进行了研究采用的基团溶解度参数具有4维,分别表征基团间4种主要的相互作用、通过建立液液平衡算法,并采用非线性优化方法SIMPLEX作为优化方法,对548个三元体系液液平衡数据进行回归得到模型参数的具体数值(?)
短句来源
  相似匹配句对
     B.C and group D.
     B组:10例肾衰竭非透析组;
短句来源
     The P&T Group
     巴马丹拿集团
短句来源
     CALCULATE THE SOLUBILITY OF A GROUP ELEMENT'S HYDROXIDE
     关于主族元素氢氧化物溶解度的计算
短句来源
     A Group-Contribution Method for Predicting Solubility Parameter
     基团法估算溶度参数
短句来源
     STUDY ON THE SOLUBILITY OF CONDUCTING POLYANILINE BY INTRODUCING SULFONIC GROUP
     引入磺酸基改善导电聚苯胺可溶性研究
短句来源
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The so-called group solubility parameters based on the cell theory of solution were proposed. The parameters were applied to the estimation of vaporization enthalpy (ΔH°v,298) of organic compounds, The results showed that the accuracy of estimated ΔH°v.298 with the present method was better than those with the previous group contribution methods. Especially, the present method was applied successfully to the estimation of ΔH°v,298 for the organic compounds with more than one functional group....

The so-called group solubility parameters based on the cell theory of solution were proposed. The parameters were applied to the estimation of vaporization enthalpy (ΔH°v,298) of organic compounds, The results showed that the accuracy of estimated ΔH°v.298 with the present method was better than those with the previous group contribution methods. Especially, the present method was applied successfully to the estimation of ΔH°v,298 for the organic compounds with more than one functional group.

为了使基团参数具有一值多用的性质,本文根据溶液的晶格理论,定义了基团溶解度参数,并利用该参数对有机物的汽化热进行了估算.结果表明,本文的方法在汽化热的估算精度上比现有的基团加和法在多数情况下有所提高.特别是,利用本文的方法还可以比较准确地估算多官能团有机物的汽化热.

The interaction between groups is described quantitatively using a four dimensional group solubility parameter system (at 25℃) developed by means of regression of large quantities of data for both the heat of vaporization and the heat of hydrogen bonding. The four dimensional parameters including dispersion, polarity, electron acceptor and electron donor parameters are related to dispersion, polar, and hydrogen bonding (acceptor and donor) interactions. A new parameter, the quasi...

The interaction between groups is described quantitatively using a four dimensional group solubility parameter system (at 25℃) developed by means of regression of large quantities of data for both the heat of vaporization and the heat of hydrogen bonding. The four dimensional parameters including dispersion, polarity, electron acceptor and electron donor parameters are related to dispersion, polar, and hydrogen bonding (acceptor and donor) interactions. A new parameter, the quasi solubility parameter, has been defined, which can be calculated from group solubility parameters. The quasi solubility parameter was correlated with the solubility parameter to develop empirical equations. Thus, the solubility parameter of a molecule can be estimated from group solubility parameters without any experimental data. The average relative deviation between calculated and published values for various organic compounds with one functional group is less than 3%.

为了描述基团间的相互作用 ,建立了四维基团溶解度参数体系。这 4维参数包括色散参数、极性参数、得电子参数和供电子参数 ,它们分别对应于基团的色散、极性和氢键(得电子和供电子 )作用。在此基础上定义了类溶解度参数 ,并给出了由基团溶解度参数求取类溶解度参数的计算式。利用类溶解度参数和溶解度参数之间的良好线性相关性 ,获得了根据分子的基团结构来估算溶解度参数的新方法。对于常见的各类单官能团有机物 ,这种估算的平均相对偏差在 3 %以内

Group Solubility Parameter (GSP) model was studied in order to acquire an effective method for the calculation of LiquidLiquid Equilibrium (LLE). The study is based on the LLE database constructed using Delpbi language. The group solubility parameter is divided into four dimensions, representing four major intermolecular forces. The values of the parameters were determined by regression through the non-linear optimization metbod of SIMPLEX to fit to the LLE data of 548 ternary systems selected from...

Group Solubility Parameter (GSP) model was studied in order to acquire an effective method for the calculation of LiquidLiquid Equilibrium (LLE). The study is based on the LLE database constructed using Delpbi language. The group solubility parameter is divided into four dimensions, representing four major intermolecular forces. The values of the parameters were determined by regression through the non-linear optimization metbod of SIMPLEX to fit to the LLE data of 548 ternary systems selected from the database. For these ternary systems, the total R. M. S. is 0.07446( mole fraction), and the total mean absolute deviations is 0.05305(mole fraction). The same calculations were also performed by using the modified UNIFAC model as a comparison. By comparison with the modified UNIFAC model, GSP model requires less adjustable parameters to achieve the same accuracy, and their values can be easily acquired.

为得到一种简便可靠的计算液液平衡的新方法,利用Delphi语言构建了液液平衡数据库,以此为基础对基团溶解度参数模型(GSP模型)进行了研究采用的基团溶解度参数具有4维,分别表征基团间4种主要的相互作用、通过建立液液平衡算法,并采用非线性优化方法SIMPLEX作为优化方法,对548个三元体系液液平衡数据进行回归得到模型参数的具体数值(?)对于这些体系,GSP模型计算的平均R.M.S.为0.07446(mol),计算总体摩尔浓度分数的绝对误差为0.05305(mol)。采用改进的UNIFAC模型进行了同样的关联计算以进行比较。结果表明,对应所收集的平衡数据,GSP模型可以达到与改进的UNIFAC模型同样的关联计算精度,而所需要的参数更少,参数值也更容易得到。

 
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