Molecular dynamics study on the structure I helium hydrate

A 368- water molecule structure I gas hydrate, encased by the number of helium (He) molecules ranging from two to twenty-two, are calculated by molecular dynamical simulations. The potential TIP4P (transferable intermolecular potentical with four sites) is used for water interactions and Lennard-Jones for He-He and He-water interactions. He molecules do not affect the water lattice and can stabilize the hydrate when their concentration is small. A trough signature of He encased is found at 80～90 meV in the phonon density of states. He molecules prefer to be more off-center in 51262 cages. Heavier isotope He are energetically favorable to be filled in cages.     

INFLUENCE OF POLYMER CHARACTERISTICS AND MELT-SPINNING CONDITIONS ON THE PRODUCTION OF HIGH RANDOMNESS 60PHB/PET THERMOTROPIC LIQUID CRYSTAL COPOLYESTER FIBER

Six samples of linear high randomness 60PHB/ PET thermotropic liquid crystal copolyesters are made by melt copolymerization at 290℃ , whose randomness about 0.955 is measured by the discernible 'H-NMR spectrometer. High tenacity, high module fiber is prepared by melt spinning in liquid crystal phase. The effect of molecular weight, shear rate, temperature as well as spinning drawn ratio on the mechanical behavior of 60PHB / PET copolyester fiber are shown that, lower shear rate (2~ 10 s~(-1)), higher temperature melting (300℃ ), lower temperature spinning (280℃ ) and higher molecular weight are favourable to the increase of the fiber mechanical properties. With the variance of drawn ratio, fiber mechanical property has a transition point due to traversion from shear-orientation to drawn-orientation. The copolyester fiber has high crystallinity, high orientation at the crystalline region, high chain orientation and high regular fibrillar structure.     

一类递推关系的计算定理及其应用

论述了关于二次型递推关系的一类问题，并提出一种新的计算定理和相应的计算方法。     

不对称D—A反应区域选择性及其理论解析

本文以教学研究为基础,系统研究不对称D—A反应区域选译性规律,并运用前线分子轨道理论,采用图解量子化学方法予以理论解析。     

中长跑的选材与预测

本文从系统学角度,探讨如何控制中长跑选材的过程,并从生理、心理、身体素质以及身体形态等方面探讨如何以科学的选材方法和手段为依据,指导教练选出优秀人材,进行早期培养,缩短其成材周期,提高成材率。     

固体表面化学发光基质背景降低的研究

对固体表面化学发光法固体基质的发光背景进行了考察．提出了降低背景的方法，以ＮａＯＨ与水的质量比值为１．５％溶液、１０－２ｍｏｌ·Ｌ－１ＥＤＴＡ溶液或其混合溶液浸泡滤纸２４ｈ，滤纸背景的降低分别为６０％，７９％及８２％．     

白兰瓜子叶和幼叶的组织培养

白兰瓜子叶和幼叶作为外植体直接诱导再生芽。讨论了不同种类和不同水平激素的作用、子叶上不同位置组织的差异、子叶与幼叶诱导频率的不同等。试验结果表明:生长素类激素和较高浓度的细胞分裂素激素类使子叶产生白色疏松的愈伤组织,MS+BA0.5ppm+Kt0.5ppm为诱导再生芽的最适培养基;子叶上不同部位组织的诱导率呈显著差异,近生长点端→远生长点端,诱导率由24.4％急剧下降至0％:幼叶的诱导率为27.4％,明显高于子叶9.7％的诱导率;不定芽的生根需极低浓度的Kt(0.01—0.05ppm)或不附加任何激素。     

甘肃产马先蒿属植物分种检索表

本文对甘肃产马先蒿属５２种、７亚种、６变种和１变型列了分种检索表，并在括号内记载了产地，为开发该属资源提供依据。     

蔸兰立枯病原菌及颉抗菌防治的研究

本文对１３种蔸兰，２４９个发病器官进行了病原真菌的分离，共获得真菌菌株１９２个，其中立枯丝核菌（Ｒｈｉｚｏｃｌｏｎｉａｓｏｌａｎｉｋｕｈｎ）有１１８个菌株，占整个真菌菌株的６１．４５％，用分离的立枯丝核菌ＹＫ－２６２，菌株对同色蔸兰等４种蔸兰进行了回接试验，共接４２株１３８片叶，发病叶１１２片，发病率平均８８．９％，而对照为８．３％．证明立枯丝核菌是该病的病原菌。用菌丝融合法测试，确定是一个新的菌丝融合群，按国际编号定为ＺＡＧ－８群。绿色木霉菌７８菌株对该病原菌有明显的颉抗作用，初步测定对同色蔸兰立枯丝核菌的防治有效率为８８．８％～９３．３％；对长瓣蔸兰为７７．８％～８１．１％；对带叶蔸兰为７４％．     

HPMBP和N_(503)协萃钯(Ⅱ)的研究

研究螫合萃取剂1—苯基—3—甲基—4—苯甲酰吡唑酮—5(HPMBP)与酰胺型革取剂N_(503)氯仿溶液从硝酸介质中协萃钯(Ⅱ)的热力学行为。在30℃、pH=1.70条件下,萃取剂浓度与分配比的关系式可表达为lgD′=2.948lg[HPMBP]_((o)) 6.645,lgD″=0.9809lg[N_(503).HNO_3]_((0)) 2.796。温度与分配比的关系表达为lgD=424.923/T-0.3088。测得协革平衡常数k=34.67,焓变△H=-8.316kJ.mol~(-1),自由能变△G=-8.932kJ.mol~(-1)和熵变△S=2.036J.mol~(-1).K~(-1).