化学驱油过程中部分水解聚丙烯酰胺的二级结构研究

高分子量聚丙烯酰胺水溶液因其显著的增粘作用与粘弹性而在三次采油中得到广泛应用 .多年来大庆油田采用注入部分水解聚丙烯酰胺 (HPAM)水溶液驱油 ,实践证明 ,此法可大幅度提高原油采出率[1,2 ] .关于聚丙烯酰胺及其部分水解产物 (结构上等价于丙烯酰胺与丙烯酸的无规共聚物 )的链结构评价及其同高价离子的络合作用已有一些报道 [3～ 6] .在聚合物驱油过程中 ,HPAM水溶液在地下岩层中流动时间较长 ,实验室难以模拟 ,有关 HPAM流经地下岩层后的结构研究尚未见报道 .评价化学驱油油田矿场采出液中 HPAM的链结构 ,并探讨其结构变化机理…     

Theoretical Studies on Electronic Spectrum Property of 2—（2—Hydroxyphenyl）pyridine Via Time—Dependence Density Functional Theory Method

The geometrical structures of 2-(2-hydorxyphenyl) pyridine(PP) and its protonation states were optimized by means of the B3LYP/6-31G(d) method.For all the selected systems,the existence of H-bond is in favor of the stability of the systems.On the basis of the optimized geometrical structures,their electronic spectrum properties were studied by time-dependent density functional theory(TD-DFT)methosd via a hybrid runction of B3LYP and 6-31G(d) basis set.The TD-DFT calculation result predicts the absorption spectrum of PP at 324nm (3.82eV),which is in very good agreement with the experimental value of 322nm (3.85eV)determined in solvent chloroform.The absorption spectra of the two protoation states both exert a red shift in various pH media.     

氘代甲烷几何构型及物性的量子化学研究

用HF/6-31G^**、密度泛函方法B3LYP/31G^**、二级微扰MP2/6-31G^**、四级微扰MP4/6-31G^**方法对甲烷和氘代甲烷进行几何构型全优化,并将优化的结果与实验值进行比较.用上述4种方法对甲烷和氘代甲烷分子进行分子的振动基频计算.密度泛函、二级微扰、四级微扰优于HF/6-31G^**,尤其是密度泛函、四级微扰方法.密度泛函方法所用的机时远小于微扰方法.不同方法计算所得的氘代甲烷振动频率值与实验值的最大误差为10.4%,最小误差为2.0%.     

Structure and Properties of Self-reinforced Material Made from Ultra-high Molecular Weight Polyethylene-montmorillonite Nanocomposite

High-strength and high-modulus ultra-high molecular weight polyethylene (UHMWPE), named self-re-inforced material, was obtained by the elongation of UHMWPE-montmorillonite nanocomposite at melting temperature. According to the scanning electron microscope (SEM) analysis, a great deal of fibrillar texture formed in the direction of elongation, and the tensile fractured surface was similar to that of highly oriented fiber. The transmission electron microscope (TEM) and selective area electron diffraction (SAED) analyses reveal that the reinforced phase of the self-reinforced material is an extended chain crystal and its size is about 50--200 nm wide and several microns long, and the montmorillonite layers are broken up to pieces in the size from 100 to 10 nm. The broken layers which have a huge surface area interacting strongly with macro-molecules reduces the entanglement density of UHMWPE and induces the chain orientation in flow field. It is supposed that the astriction of montmorillonite layers to polyethylene chains is not only end-tethered but also side-tethered. The differential scan calorimetry(DSC) analysis shows that there are two endothermal peaks for the self-reinforced material, of which the peak at a higher temperature(136.4℃) is ascribed to the melt-ing of the reinforced phase.     

Pretreatment of Polymer-Supported Pd-Co and Its Catalytic Activity

l/or if llctcrogclleous catalyst, it is c('lllllloll that dillbrcnt 1llcthods of preparation result ina dillbrcllcc ill tile catalytic activity, altllotlgll its composition is the same. For atriltlitiotlill if')lllogctlcolls catalyst witll ljxc(l c(f)lllpositioll, its catalytic activity usuallydt)es hot cllallgc Witll tile llletllod elf l,l'cl,arutioll. I'olylller-supported catalysts are calledtile lletcrogcllizc(1 llolllogcllcolls catalysts that colllbille the nlcrits of h()1llogcncous andllc…     

7-表-γ-桉叶油醇的不对称全合成

桉烷型倍半萜类化合物广泛分布于自然界中, 普遍具有昆虫拒食、植物生长调节、细胞生长抑制等生物活性[1～3], 因此, 近年来越来越受到有机化学家的重视. 最近, 法国学者Ramanoelina等[4]从传统药用植物Laggera alata var. Alata Sch. Bip. Ex oliv.中分离得到的两个新的此类化合物: 7-表-γ-桉叶油醇(1)和7-表-β-桉叶油醇(2), 它们的合成均未见报道, 其结构如下式.     

N-含硒壳聚糖衍生物的合成、表征及其生物活性

通过壳聚糖分子上的－ＮＨ２基与三种有机硒化合物邻甲硒基苯甲硒基苯甲酸对硝基苯酚酯、２－（４－苯甲酸甲酯基）－１,２－苯并异硒唑－３（２Ｈ）酮和硒代二乙酸反应,使有机硒分子片接枝到高分子壳聚糖上,合成了三种新的Ｎ－含硒壳聚糖衍生物。经元素分析,ＩＲ和ＵＶ分析表征了其结构。实验结果表明,Ｎ－含硒壳聚糖衍生物与预期结构相符。初步动物实验表明其具有一定的生物活性;抗脂质活性和抗肿瘤活性。     

弱视儿童血铅测定情况分析

探讨了血铅水平与儿童弱视的关系。分别检测了弱视儿童42例及正常对照儿童30例的血铅水平。结果表明,弱视组铅中毒人数明显高于正常组,差异有显著性。提示铅中毒儿童具有视觉发育障碍的高风险性,应重视患和的眼科随访工作,防治弱视。     

光纤电压传感器温度特性的研究

以半波电压较高的石英晶体为敏感材料,分析了光纤电压传感器全量程的温度特性,发现其与传感器所测电压值要关;随着待测电压的从小往大增加,其输出温度变化的灵敏度逐渐由小变大。为了实现电压传感器全量程的温度补偿,必须获取两个关键的参数：一为电压传感器在无外加电压作用下的温度输出响应参数;二是敏感材料在电压作用下的温度应参数。     

Mechanism for the Correlated Swinging of Photoluminescence Intensity and Peak Energy Shift with Sizes of Nanoscale Si Particles

Based on the quantum confinement-luminescence center model, we focus on the relationship between the photoluminescence (PL) spectra and sizes of nanoscale silicon particles.We find that when there are two kinds of luminescence centers (LC) in the oxide layer surrounding the silicon particles, both the integrated PL intensity and the spectral peak position swing with reducing the sizes of silicon particles, which is different from the monotonous blueshift of peak position predicted by quantum confinement model. By changing the concentrations of LC we find the correlation between the spectral peak position and the integrated PL intensity when the size of silicon particles is reduced. The effects of other parameters such as the half width of size distribution and the position of photon emission levels of LC are also found to be important.