Zn(AA)SO4·H2O(AA=Thr，Phe，Val，Met)在水和丙酮混合溶剂中的结晶动力学研究

The optimum volume ratio of Zn(AA) SO₄ · H₂O crystallizing from mixed solvent of water with acetone has been determined， which are 1∶3， 1∶9， 1∶10， and 1∶30 of water∶acetone， respectively. The crystal growth pro-cesses of the compounds at 298.15K are investigated by microcalorimetry. The experimental results show that the processes are in accord with the Burton-Cabrera-Frank dislocation theory.     

用非等温DSC估算3,4-双(4’-硝基呋咱-3’-基)-2-氧化呋咱(BNFOF)放热自催化分解反应的热爆炸临界温升速率和动力学参数

A method of estimating the kinetic parameters and the critical rate of temperature rise in the thermal explosion for the autocatalytic decomposition of 3,4-bis（4＇-nitrofurazan-3＇-yl）-2-oxofurazan （BNFOF） with non-isothermal differential scanning calorimetry （DSC） was presented. The rate equation for the decomposition of BNFOF was cstablished, and information was obtained on the rate of temperature increase in BNFOF when the empiric-order autocatalytic decomposition was converted into thermal explosion.     

配合物Zn(Leu)SO_4·0.5H_2O的合成与热行为(英文)

在水-丙酮溶液中制备了Zn(Leu)SO4·0.5H2O的配合物。通过热重和红外分析,研究了它的热分解机理,可分为三步完成。第一阶段配合物的脱水过程在60～180℃,形成Zn(Leu)SO4,第二阶段,Zn(Leu)SO4进一步分解为Zn(Leu)SO4·9ZnSO4,随后其在728℃完全分解为ZnO。在不同线性升温5.0,10.0,15.0,20.0K·min-1条件下,用两种积分法和三种微分法研究了题目化合物失去配体过程的非等温动力学,相应过程的表观活化能E为133.78kJ·mol-1,指前因子A为108.19s-1,配体失去过程为三维扩散机理控制,并建立了反应过程的动力学方程。     

碳/碳复合材料碳源化合物乙苯热裂解机理的热力学研究

主要采用Gaussian 03程序中的密度泛函理论(DFT),在UB3LYP/6-31G*水平上对碳材料用碳源化合物乙苯的初期热裂解反应机理进行了研究.对反应物和产物的结构进行了能量梯度法全优化,计算了不同温度下(298～1573 K)的热力学参数.结果表明:在298～1573 K下,热力学首先支持生成甲苯自由基和甲基自由基的反应为主反应路径.低温下,生成苯乙基自由基(α位脱氢)的反应比例大于生成苯基自由基的反应,而高温下(823 K),生成苯基自由基的反应比例大于苯乙基自由基(α位脱氢)的反应.     

半化学法制备PMW-PNN-PT粉体的反应机理研究

The mechanism of perovskite 0.1Pb(Mg_1/2W_1/2)O₃-0.6Pb(Ni_1/3Nb_2/3)O₃-0.3PbTiO₃ (abbreviated PMW-PNN-PT) phase formation by Semichemical Method has been studied. The precursors were prepared by adding aqueous solution of Mg(Ac)₂ and Ni(AC)₂ rather than solid MgO and NiO to the alcoholic slurry of PbO, WO₃, Nb₂O₅ and TiO₂. The TG-DTG and DSC of the precursors and XRD analysis of the powders at various calcination temperature showed that the mechanism of this method was different from that of the conventional mixed oxide method. The aqueous Mg(Ac)₂ and Ni(Ac)₂ reacted with PbO to form basic lead acetate, basic magnesium acetate and basic nickel acetate and so on. With the increase of calcination temperature these basic salt decomposed to form nascent PbO, MgO and NiO, which improved the reactivity and distribution of PbO, MgO and NiO. In addition, the formation of PbWO₄ and pyrochlore phase Pb₃Nb₂O₈ in the process was in favor of the pervoskite PMW-PNN-PT phase formation. At the calcining temperature of 850 ℃, the perovskite phase reached 98%.     

Thermal Behavior of N,N''''-Bis[N-(2,2,2-trinitroethyl)- N-nitro]ethylenediamine

Introduction N,N'-Bis[N-(2,2,2-trinitroethyl)-N-nitro]ethyenedi- amine (BTNEDA) is a typical nitramine compound, which is structurally shown in Figure 1. The crystal density is 1.87 gcm-3. The detonation velocity corresponding to r=1.842 gcm-3 is about 8970 ms-1.1 Therefore, BTNEDA is used as high explosive. Its thermogram has been reported.2 In this paper, its kinetic parameters of the exothermic decomposition reaction are described. This is quite useful in the evaluation of its ther…     

配合物Zn(Leu)SO4·O.5H2O的合成与热行为

在水-丙酮溶液中制备了zn(Leu)SO4@0.5H2O的配合物.通过热重和红外分析,研究了它的热分解机理,可分为三步完成.第一阶段配合物的脱水过程在60-180℃,形成Zn(Leu)S04,第二阶段,Zn(Leu)SO4进一步分解为Zn(Leu)SO4@9ZnSO4,随后其在728℃完全分解为ZnO.在不同线性升温5.O,10.0,15.0,20.OK@min-1条件下,用两种积分法和三种微分法研究了题目化合物失去配体过程的非等温动力学,相应过程的表观活化能E为133.78KJ@mol-1,指前因子A为1O8.19s-1,配体失去过程为三维扩散机理控制,并建立了反应过程的动力学方程.     

α,β不饱和酸铜与1,10-邻菲绕啉三元配合物的合成、表征及晶体结构

合成了丙烯酸铜和α-甲基丙烯酸铜与1，10-邻菲绕啉形成的三元配合物，通过元素分析、红外光谱、热谱等数据对配合物进行了表征．测定了Cu（C4H5O2）2（phen）·H2O的晶体结构．配合物的组成为CuL2（phen）·H2O（L=CH2＝HC-COO-,CH2=C(CH3)-COO-），结构为畸变的四方锥形，属单斜晶系，P21/n群，晶胞参数：a=0.7322nm，b=1.7948nmc=1，6014nm，β＝97．12（2）°;Z＝4．     

稀土2，3－二氯异丁酸配合物的合成与表征

合成了九个稀土２，３－二氯异丁酸基配合物，通过元素分析、红外、紫外、热谱及光电子能谱分析，对所合成配合物的组成、结构以及性质进行了表征。     

电沉积法制备金属纳米线阵列膜的偏光特性

Metal nanowire array films were prepared by electrodepositing Cu, Ag, Ni, Co and Cu-Ag on porous anodic alumina film. Optical transmittance of both the porous anodic alumina film and metal nanowire array film was measured in the wavelength range of 400---2600 nm under an obliquely incident light. The experimental results show that metal nanowire array films exhibit a prominent polarization function. It was found that optical polarization properties can be improved by choosing suitable kinds of electrodepositing metal, controlling the shape and length of nanowire, and changing the incident angle.