查询词典 solvation

In this paper, based on the previous work experience, microscopic structures of electrolyte solutions and the tecknoledge of fourier transform spectroscopy and theory of quantum chemistry , we reseached on ionic solvation and ion association of the alkaline-earth metal electrolyte solution.

本文在总结前人工作的基础上，以研究电解质溶液微观结构为背景，借助傅里叶变换红外光谱技术和量子化学理论，对碱金属碱土金属电解质溶液中的离子溶剂化和离子缔合作用进行了研究，主要的研究内容如下：1。

Certain solid-state properties of the drug substance (e.g., polymorphic form or amorphism, solvation or hydration, various types of inclusion complexes, and particle size or surface area) may profoundly affect dissolution and bioavailability from solid dosage forms or suspension drug products.

一些原料药的固态特性（如：多晶型物或无晶型物，溶剂化作用或水合作用，各种包含物复合体，颗粒尺寸或表面面积），可能极大地影响着固态和悬浮态形式的制剂药品的分解的生物药效率。

Linear solvation energy relation was firstly introduced in the paper, and the method and step of gaining the special parameters of solvent and solute were introduced in detail, and these special parameters were used to selection and optimization of extractive agent in extractive distillation. The model of predicting activity coefficient at infinite dilution was established by linear solvation energy relation. By the above theory, several candidate solvents were selected to separate C5 fraction, and by experiment of vapor-liquid phase equilibrium at atmosphere pressure, the mixture of N-methyl-pyrrolidone including 4% water was used extractive agent of separating C5 fraction. Then binary vapor-liquid phase equilibrium of the some compound in C5 fraction and N-methyl-pyrolidone were determined at atmosphere pressure and correlated by NRTL equation. Isoprene being objective compound, experiments were operated in the laboratory-scale column; the processes were simulated by RadFrac model in ASPEN PLUS. And by the combination of experiment and simulation, the new process of separation of C5 was established.

本文首先对线性溶剂化能关系进行了分析介绍，也介绍了采用溶剂化能关系得到溶质溶剂特性参数的方法步骤，并将这些参数用于萃取精馏萃取剂的选择与优化；也通过线性溶剂化能关系式建立无限稀释活度系数预测模型，取得了一定的预测精度；将通过上述方法初选的溶剂进行了常压汽液平衡的测定研究，通过实验研究选定含水4%的N-甲基吡咯烷酮溶液做为C5分离的萃取剂，测定了大量N-甲基吡咯烷酮与C5组分的二元平衡数据，并进行关联计算；以异戊二烯为目标产物在实验室规模的精馏塔内进行了C5分离的实验研究，取得大量塔内数据；通过选用合适的热力学模型，采用ASPEN中RadFrac模块对分离过程进行模拟研究，通过实验与模拟相结合，建立了C5分离的新工艺，为将来的工业化打下了坚实的基础。

Other factors that contribute to relative stability including solvation effect, entropy and electronic delocalization energy were taken into account.

其它影响因素如溶剂化，熵和电子离域能对相对能级的改变也起了一定的作用。

This article is mainly on the predicament that administration confiscate is facing, also on digram of the practical path of its solvation.

文章重在阐述当下我国行政没收所面临的困境，也力图给出解决问题的现实路径。

In the present work, the hydrolysis process of non-classical transplatin with two same planar heterocycle amines has been studied using hybrid density functional theory (B3LYP) and IEF-PCM solvation models.

本研究中，用杂化的密度泛函理论（B3LYP）、IEF-PCM溶剂模型研究了含两个相同平面杂环胺的非经典反铂的水解过程。

The charge distribution of H3O＋(H2O)6VIa has also been analyzed, indicating that the strength of H-bonds of the first solvation shell with the hydronium ion is stronger than that with the second solvation shell.

对H3O＋(H2O)6VIa团簇的ABEEM电荷分布进行分析，表明第一水合层水分子与水合氢离子之间的氢键相互作用要明显强于与第二水层水分子的氢键相互作用。

Besides, this part supposes that the decisive cause of the conversion lies in the complex relationship between fiscal, finance and enterprises produced by the dominant position of the state-owned economy; the transforming costs which consists of the expense for the solvation of the remained problem of the former system and the payment for the new one; and the indistinctness of the functions of governments during the transforming period.

另外，提出决定财政风险与金融风险相互转化的原因还有国有经济的主体地位造成的财政、金融、企业三者之间错综复杂的关系、转型期要为旧有体制遗留问题付账和为新体制埋单所产生的转型成本，以及转型期政府职能的模糊性等。

Additionally, the stability of keto form has been further enhanced in the presence of the assisting molecules and solvation effects.

另外辅助分子和各种介质的溶剂效应均有利于酮式结构的稳定性，这与有关的研究吻合较好。

However, as for incorporating the electrostatic solvation effect into the force field for molecular dynamics simulation and at the same time obtaining a balance between which and computer power, many works are left to do at present.

目前，把静电溶剂化效应加入到分子动力学模拟的力场中同时又能兼顾到计算机的能力，这方面的工作已取得了一些进展，但还远未完善。

Neither the killing of Mr Zarqawi nor any breakthrough on the political front will stop the insurgency and the fratricidal murders in their tracks.

在对危险的南部地区访问时，他斥责什叶派民兵领导人对中央集权的挑衅行为。

In fact,I've got him on the satellite mobile right now.

实际上 我们已接通卫星可视电话了