RECl3—CaCl2—LiCl（RE=La,Ce,Pr,Nd）三元相图的优化和计算机

基于对９个侧边二元系ＲＥＣｌ３－ＬｉＣｌ，ＲＥＣｌ３－ＣａＣｌ２－ＬｉＣｌ热力学数据和实验相图信息的评估、优化以及三元系相关热力学性质的分析，计算了ＲＥＣｌ３－ＣａＣｌ２－ＬｉＣｌ系列４个三元系相图，计算结果与实验相图吻合较好。     

RECl_3－CaCl_2－LiCl（RE＝La、Ce、Pr、Nd）三元相图的

基于对９个侧边二元系ＲＥＣｌ＿３一ＬｉＣｌ、ＲＥＣｌ＿３－ＣａＣｌ＿２和ＣａＣｌ＿２一ＬｉＣｌ热力学数据和实验相图信息的评估、优化以及三元系相关热力学性质的分析，计算了ＲＥＣｌ＿３－ＣａＣｌ＿２一ＬｉＣｉ系列４个三元系相图，计算结果与实验相图吻合较好。     

聚合物—溶剂—非溶剂三元相图的计算

改进了Ｐｏｕｃｈｌｙ提出了的Ｆｌｏｒｙ－Ｈｕｇｇｉｎｓ半经验展开式，详细推导了盯应的三元相图中双结点溶解度曲线（Ｂｉｎｏｄａｌ线）和亚稳均相极限线（Ｓｐｉｎｏｄａｌ线）的议程；计算了非溶剂和溶剂的相互作用参数ｇ１２，溶剂和醋酸纤维素的相互作用参数ｇ２３同时依浓度变化的三元相图。：的Ｆｌｏｒｙ－Ｈｕｇｇｉｎｓ方程更具有普适性。     

二组分体系的相图及其相图边界理论

主要探讨了二组分体系的相图,如气-液相图和液-固相图,总结了二组分相图的分类、绘制及相图分析,这有利于理解和掌握二组分相图的基本规律。并简单介绍了相图边界理论,扩展了相图的热力学研究。     

三组分体系相图教学实验——微乳的制备*

为了让三组分体系相图的教学紧跟学科发展前沿,设计了一个研究型综合性实验——微乳的制备。实验以油酸乙酯为油相、吐温-80和乙醇质量比为3∶1的混合体系为乳化剂相,蒸馏水为水相,采用水滴定和油滴定结合的方法绘制了拟三元相图。通过电导率法对微乳3种类型的转变点进行了初判,按照电导率实验结果制备了3种不同类型的微乳样品,并利用染色法、黏度法和光散射法对微乳的物理化学性状进行了表征。通过实验,可以使学生获得分散体系的前沿知识,有利于创新人才的培养。     

物理化学课程中相平衡理论的教学策略

针对物理化学相平衡章节体系多变、知识点繁多、相图抽象等问题提出了一套系统的教学策略。首先对相平衡中的基本概念和定律进行论述,并强调重、难点;随后对章节知识点进行总结归纳,通过表格系统罗列相图的体系、相律、应用和术语;最后提出相图解读通行方法,并结合具体例子讲解这些方法、相律以及杠杆规则如何使用。     

应用相图边界理论勾画多元恒温截面相图

根据相图的边界理论,可以确定恒温截面图中紧邻相区及其边界关系,进而可以根据有限的实验数据,比较直接地勾画出整个恒温截面图。本文以5元相图和8元相图为例加以说明。     

EuI2—KI二元系相图

用差热分析和Ｘ射线衍射的方法研究了ＥｕＩ２－ＫＩ二元体系在３＊１０＾－４Ｐａ压强下的低压相图。实测相图显示，该二元体系存在一个同份熔化化合物ＫＥｕ２Ｉ５和一个异份熔化化合物Ｋ４ＥｕＩ６，两个在相共晶点的温度和成分分别为７３７Ｋ，２０％ＫＩ和７１３Ｋ，６０％ＫＩ。Ｘ射线粉末衍射的结果表明，ＫＥｕ２Ｉ５的晶体结构参数与文献数据十分吻合。本文还讨论了实测相图的误差来源，并由相图计算出ＥｕＩ２的熔化热为２１０１２Ｊ．ｍｏｌ＾－１。     

TmCl3-ACl（A=Na，K，Rb，Cs）体系相图的热力学优化计算

综合实验相图信息和热力学数据运用CALPHAD技术优化和计算了TmCl3-ACl体系的相图。液相的吉布斯全摩尔自由能采用新改进的用于短程有序体系的以近似似化学模型进行描述。借助计算机辅助分析，一系列的热力学函数被优化得到。计算的相图和热力学参数是热力学自恰一致的。     

邻位与对位二取代苯的二元液固平衡相图研究

用热分析法仔细地测定了邻、对位氯甲苯和邻、对位硝基氯苯两个系统在不同组成时的步冷曲线,并进行了结晶试验,从而确认它们都属于简单的低共熔型相图,而不是一个有最低凝固点的完全互溶固溶体相图。文中还根据这类异构物的物理和热力学特性,解释了实验观察到的相图特征。     

Differentiation of the Li,Na,K‖NO2,NO3 quaternary reciprocal system and phase formation in its stable partitioning tetrahedron LiNO2-NaNO2-KNO2-KNO3

The Li,Na,K‖NO₂,NO₃ quaternary reciprocal system was differentiated by partitioning the n-dimensional composition diagrams of systems with complexation using incidence matrices and graphs. The constructed tree of phases was confirmed by X-ray powder diffraction analysis. The quaternary system LiNO₂-NaNO₂-KNO₂-KNO₃, which is a stable partitioning tetrahedron of the quaternary reciprocal system Li,Na,K‖NO₂,NO₃, was studied for the first time by differential thermal and visual polythermal analyses and the projection-thermographic method. The phase state diagram of the studied system was constructed using experimental data.     

Na2CrO4-(NH4)2CrO4-H2O体系的相图

铬盐工业是无机盐工业的一个主要分支,其主要产品有重铬酸钠、铬酸酐、铬酸铵、氧化铬等,广泛用于合金材料、电镀、制革、印染、橡胶等部门,是国民经济中重要的基础化工原料工业．铬盐生产系先将铬铁矿制成铬酸钠及重铬酸钠,然后再进一步加工制成其它铬盐产品．在铬盐...     

第三相界面对高分子共混物粗化过程的影响研究

共混物相分离的机理已有研究［１］．但对共混物分散相的粗化过程的研究则不多见．１９７７年,Ｃａｈｎ等［２］预言第三相界面与低分子共混物之间存在的浸润作用对相分离过程应有较大影响．近年Ｔａｎａｋａ等［３］的研究结果表明,在几何空间受限的条件下,含有小分子...     

Determining scaling in known phase diagrams of nonionic microemulsions to aid constructing unknown

Microemulsions based on nonionic surfactants of the ethylene oxide alkyl ether type C_mE_n, have been studied thoroughly for around 30 years. Thanks to the considerable amount of published data available on these systems, it is possible to observe trends to make predictions of phase diagrams not yet determined. Strey and Kahlweit, and subsequently Sottmann and Strey, with coworkers have studied and published phase diagrams for systems with a fixed ratio of oil to water, varying the surfactant, the so-called Kahlweit fish-cut diagrams. Some properties of the phase diagrams can be scaled to become general and not system dependent. Here are shown two examples of scaling data from phase diagrams and the use of trends to determine phase diagrams, both inside and outside a dataset. The trends of microemulsions with fixed ratio of surfactant to oil, the so-called Lund-cut diagrams, are also investigated. The trends are used to determine a new phase diagram and this is compared with previously unpublished experimental data on C₁₂E₅-Octadecane-Water system. The scalings and trends make it possible to get good estimations of many of the important properties of the phase diagrams, both temperatures and surfactant concentrations of interest, by investigating one sample in the 3-phase region of the balanced fish-cut diagram.     

A universal method for calculating isobaric-isothermal sections of ternary system phase diagrams

A method for calculating and constructing isobaric-isothermal sections of ternary system phase diagrams with the use of convex hulls was developed. The method is based on the projection of the singularities of the lower part of the Gibbs energy convex hull onto the plane of component mole fractions followed by a geometric analysis of the properties of this projection. The method is applicable to a wide range of ternary systems, it can be used to find tie-line coordinates and determine the phase compositions of all the diagram regions. The quality of the suggested algorithm was estimated, and examples of the construction of several phase diagrams are given.     

碱和盐对十二烷基硫酸钠/正戊醇-环己烷-水拟三元体系相图影响

拟三元相图的研究可为获得制备纳米材料的微乳液提供理论依据。本文首先通过实验绘制了45℃下十二烷基硫酸钠(SDS)/正戊醇-环己烷-水溶液体系的拟三元相图,并用电导法进行了验证,说明电导的测定结果与相图吻合的很好。其次,绘制了45℃及65℃下,SDS/正戊醇-环己烷-水、SDS/正戊醇-环己烷-硝酸锌水溶液和SDS/正戊醇-环己烷-氢氧化钠水溶液体系的拟三元相图并对6个相图进行了比较,研究了碱(NaOH)和盐(Zn(NO_3)_2)对SDS/正戊醇-环己烷-水拟三元体系相图影响。结果表明,硝酸锌及碱的加入使SDS/正戊醇-环己烷-水拟三元相图水包油(O/W)和油包水(W/O)区域明显的缩小。45℃时,SDS/正戊醇-环己烷-氢氧化钠水溶液体系的拟三元相图中的O/W区域甚至消失;65℃时,O/W和W/O区域均存在,且3个相图的W/O和O/W区域有重叠区。在此基础上,确定了制备纳米Zn O的微乳液的条件,即SDS/正戊醇-环己烷-硝酸锌水溶液和SDS/正戊醇-环己烷-氢氧化钠水溶液体系的拟三元相图中W/O区域的重叠区(各相图中的Ⅱ区)。制备的纳米氧化锌为多晶结构,平均粒径为80 nm。     

Phenomenological theory of phase diagrams with multicritical points

The breakup of multicritical points is studied in detail within the phenomenological theory of second-order phase transitions for a thermodynamic potential invariant with respect to the C _3v (3m) group of transformations. The general conditions of this breakup are obtained and possible types of derived diagrams are plotted from a parent phase diagram containing a multicritical point. Examples of experimental phase diagrams are given that qualitatively confirm the results from theoretical and computer simulations of phase equilibria.