含羟基螺吡喃的合成及动力学研究

根据羟醛缩合原理,应用2-亚甲基-1,3,3-三甲基吲哚啉和2,5-二羟基苯甲醛一步合成了1′,3′,3′-三甲基-6-羟基-螺-(2-氢-1-苯吡喃-2,2′-二吲哚啉),简称为羟基螺吡喃.该合成产物是一种新型的在苯环上带有羟基官能团的光致变色化合物.合成过程的反应条件温和又易于控制.应用红外(IR)、核磁共振(NMR)、质谱(MS)等分析方法对该化合物的结构进行表征;通过紫外(UV)分析,对其光致变色性能和变色反应动力学进行了研究.结果发现合成产物在紫外光照射下具有良好的光致变色性能,而且不同浓度羟基螺吡喃在溶剂中光变性能与变色速率明显不同.     

呋喃酸锌配合物热分解过程的非等温动力学研究

制备呋喃甲酸与2,2-联吡啶的锌配合物晶体,利用热分析技术对配合物的热行为进行研究,并利用非等温动力学分析法对配合物的热分解过程进行动力学研究,计算其反应活化能.     

TRIP钢在连续冷却过程中的相变行为

与普通C-Mn不同,热轧生产TRIP钢需要着重考虑合金质量分数、冷却速率和剩余奥氏体碳浓度对相变行为的影响.以Avrami方程为基础,确定了热轧低碳Si-Mn系TRIP钢相变动力学模型参数,并定量地分析了不同w(Si)、变形量和冷却速率对热变形奥氏体相变的影响.应用该模型预测的CCT曲线与实测值符合得较好.计算结果表明,w(Si)或变形量增加都会促进铁素体相变,从而有利于剩余奥氏体中碳质量分数的增加.     

General kinetic model of imperfect living polymerization (IV)

The living ionic polymerization with two active species was theoretically studied, presenting the expressions of the number- and weight-average degrees of polymerization and the polydispersity index. The numerical calculation shows that both steady state and non-steady state approaches result in the essentially same outcomes when the exchange rate between the two active species is larger than the rates of chain propagation; however, the steady state method leads to a larger error and only the non-steady state approach is valid if the exchange rate between the two active species is comparable to or smaller than propagation rates. In addition, the molecular weight distribution of the resulting polymer becams narrower with the value of κ_p, approaching to κ′_p, and with increasing M₀/I₀.     

A new Monte Carlo simulation of three-dimensional microstructures and their evolution in polycrystalline

A new Monte Carlo simulation method for studying three-dimensional microstructures as well as their evolution in polycrystalline materials has been set up. The algorithm is simple and flexible to apply. With the present method, kinetics of three-dimensional grain growth is accuratety reflected and the simulation efficiency is greatly improved. The simulation can not only be used reliably to analyze quantitatively the microstructures and their evolution, but also be used conveniently to observe microstructures as well as their evolution on the horizontal section and the sections at any angle to the horizontal plane, to measure the characteristic parameters in three dimensions and cross-sections, together with their relationships between the two systems, and to many other aspects.     

催化重整单事件反应动力学模型（Ⅰ）反应网络的建立及单事件数的计算

以经典的双功能催化重整反应机理为基础,对催化重整单事件反应动力学模型进行了研究。采用布尔邻接矩阵及其主对角元素描述反应物种的分子结构,通过布尔邻接矩阵的操作实现基本反应步骤的数字化,进而构建催化重整反应网络。引入单事件概念将基本反应步骤的反应速率常数分解为单事件数和单事件速率常数,通过将分子中相同的原子标记区分,计算了...     

葡萄糖醛酸内酯结晶过程研究

采用静态平衡法测定葡萄糖醛酸内酯在水中4～50℃下的溶解度;采用激光光强分析法,测定在不同降温速率下葡萄糖醛酸内酯在水溶液中的介稳区,降温速率为15,℃/h时,过冷度约为10,℃;降温速率为5,℃/h时,过冷度约为5,℃.在不同温度下,葡萄糖醛酸内酯溶解度及其温度敏感性存在差异,葡萄糖醛酸内酯的介稳区宽度随着降温速率的改变而不同,降温越快,介稳区越宽.采用MSMPR稳态法建立了葡萄糖醛酸内酯在水中的结晶动力学模型:成核速率B0=2.53exp(?2.8 1×10 4/RT)S 0.9 9M T1.45,R=0.92;生长速率G=2.80×10?7 exp(?2.96/RT)S1.42,R=0.93.     

Comparison between the Direct Dyeing Kinetics of Bamboo and Conventional Viscose Fibers

Two direct dyes were applied to conventional viscose(CV)and bamboo viscose(BV)fibers,which were prepared from bamboo cellulose pulps,and the dyeing kinetics of two fibers were compared.Three kinetic equations,namely Chrastil,Cegarra-Puente,and Vickerstaff,were used to fit the experimental dyeing rate points,showing that the best result was obtained by the Chrastil equation.BV fibers displayed slightly higher dyeing rates and dye adsorption values at initial stages,but a bit lower dye adsorption values at eq...     

乌鸡蛋品质的电喷雾萃取电离质谱法研究

将自行研制的中性解吸电喷雾萃取电离源(ND-EESI)与LTQ-XL质谱仪耦合,结合主成分分析(Principal components analysis,PCA)方法,在无需样品预处理的条件下,通过直接分析不同饲料配比饲喂的乌鸡蛋蛋清和蛋黄样品,考查了不同饲料饲喂对鸡蛋品质的影响.结果表明,ND-EESI-MS技术结合PCA方法可以将不同饲料饲喂的鸡蛋黄样品区分开来,不同饲料配比饲喂对鸡蛋清的影响小于对鸡蛋黄的影响.ND-EESI-MS技术结合PCA方法可以从分子水平观察饲料添加对鸡蛋品质的微小影响,是一种强大的分析工具.