Headspace gas chromatography method and group contribution method are emphatically introduced.
重点介绍液上气相色谱法与基团贡献法。
The correlation and prediction of retention were realized by group contribution method in RP HPLC.
基团贡献法可用来关联并预测反相高效液相色谱保留值。
The first one is a group contribution model for the prediction of the thermal conductivity of polymer melts.
首先，本工作开发了一基团贡献模型用于预测常压下聚合物熔体的导热系数。
The UNIFAC group contribution model has been successfully utilized for prediction of L-L-E data of this system.
成功地利用UNIFAC基团贡献模型预测了本体系的液液平衡数据。
The UNIFAC group contribution model is used for the prediction of the equilibrium data with satisfactory results.
用基团贡献模型UNIFAC预测了两相平衡浓度，结果令人满意。
New group contribution methods of estimating the surface tension at boiling point were proposed for the first time.
首次用基团贡献法估算了沸点下表面张力。
With the increase of the demand for green solvents and new polymers, the CAMD based on group contribution method will apply widely in these fields.
随着绿色溶剂和新型聚合物材料需求的增加，基团贡献法CAMD将大有应用前景。
In this work, the theoretic methods including group contribution method and molecular dynamics simulation are used to estimate the properties of high-density fuels.
本文研究了采用基团贡献法和分子动力学模拟计算和预测燃料物性的理论方法，对高密度燃料的物性进行了计算。
However, nonlinear group contribution method can provide a superior fit to biodegradation and produce a lower prediction error than the linear group contribution method.
预测结果表明线性和非线性基团贡献法的预测效果都很好，相比而言，非线性方法对生物降解性的预测更准确。
Furthermore, the correlation and prediction are made by using UNIFAC model and UNIFAC MH81 group contribution equation of state, the results of which are in good agreement.
并分别用UNIFAC模型和UNIFAC -MH81基团贡献型状态方程作了关联和预测，结果符合得较好。
The solubility parameter of phenolphthalein poly (ether sulfone) (PES-C) was determinated by using turbidity titration method, and estimated by using group contribution method.
采用浊度滴定法测定和基团贡献法估算了酚酞基聚醚砜的溶解度参数。
The principle of the CAMD based on group contribution method and its applications in solvents and polymers design were described in detail. And the methodology used in CAMD was also introduced.
本文论述了基于基团贡献法CAMD的基本原理，以及在溶剂和聚合物等领域分子设计的应用，对分子设计的计算方法也作了简单的介绍。
Group contribution method can be applied to most organic solutes.
此方法比碳数规律法能适用于更多种类的有机溶质。
Group contribution method can be used not only to estimate the properties of compounds, but also in computer-aided molecular design (CAMD).
利用基团贡献法可预测化合物的性质，还能用于化合物的计算机辅助分子设计(CAMD)。
Like the UNIFAC group-contribution equation of state, it performs satisfactorily in the VLE prediction of systems containing polar components, including VLE under high pressures.
用此法预测了含极性组分体系常压到较高压力的汽液平衡，结果良好，与UNIFAC基团贡献状态方程的结果相当。
The calculating results are in good agreement with experimental values by using group - contribution technique to calculate glass transition temperature of biopolymers and its blends and copolymers.
应用基团贡献法计算生物高聚物及共混、共聚的玻璃化转变温度，计算结果与实验值吻合较好。
The calculating results are in good agreement with experimental values by using group - contribution technique to calculate glass transition temperature of biopolymers and its blends and copolymers.
应用基团贡献法计算生物高聚物及共混、共聚的玻璃化转变温度，计算结果与实验值吻合较好。
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