硝基胍（Ⅰ）分子内氢键及溶剂化效应的量化研究

硝基胍(Ⅰ)是一种强爆炸剂,广泛应用于军事领域.实验表明,该分子存在强的分子内和分子间氢键.本文报导用 STO-3G 从头计算研究硝基胍(Ⅰ)分子内氢键,以及水对其稳定性的影响.     

硝基胍火药何以能承受高膛压燃烧的考验

本文阐述硝基胍火药燃烧时形成的表面熔融层理论,并借以说明为什么国产SD_(13)硝基胍火药比国外M30硝基胍火药更能承受高膛压燃烧的考验。     

α、β硝基胍的异构化反应机理及其相对稳定性的密度泛函研究

用密度泛函(DFT)中的B3LYP方法在6-311 G**水平上优化了α和β型硝基胍的分子结构,找到反应的过渡态,通过振动分析对异构体及过渡态进行了确认,并通过内禀反应坐标(IRC)计算确定了所得过渡态的真实性.对单点用QCISD(T)/6-311 G**计算了能量,同时进行了零点能校正.研究结果表明该反应是一个放热反应,放出热量为35.68kJ/mol,反应的活化能为125.68kJ/mol;β型硝基胍由于分子中存在共轭效应使键长趋于平均,体系能量降低,比α型硝基胍分子更趋于稳定;该反应的正、逆反应的速率常数都较小,分别为1.6×10-9s-1和4.71×10-12s-1,在常温下较难发生异构化,正反应较逆反应易于发生.     

稀土—间硝基偶氮氯膦极谱络合吸附波的研究

本文提出了稀土—间硝基偶氮氯膦,稀土-间硝基偶氮氯膦-二苯胍的两个极谱络合吸附波体系,并用库仑分析,对照实验和循环伏安等方法研究了间硝基偶氮氯膦的电化学行为,解释了单扫极谱上各个波峰的电极过程。稀土与间硝基偶氮氯膦的络合部位在分子的氯膦一侧。络合物中氯膦一侧偶氮基酶还原形成了络合吸附峰。     

盐酸胍诱导的蛋白质变性现象研究

考虑常用变性剂盐酸胍（GuHCl)分子与蛋白质主链上的相邻二肽形成双氢键，利用吸附反应动力学方法，得到了描述蛋白质变性物理参量与盐酸胍浓度之间关系的式。结果表明计算得到的理论值与实验值符合良好，说明所给出的蛋白质分子与盐酸分子相互作用模型，能够较好地描述盐酸胍诱导的蛋白质变性现象。     

次甲基-双(1.5-二硝基-2-硝亚胺基-1.3.5-三氮杂环己烷)

近年来,由硝基胍合成高能多硝基化合物是一个活跃的课题。本研究简讯报导一个新的硝基胍衍生物——次甲基-双(1.5-二硝基-2-硝亚胺基-1.3.5-三氮杂环己烷)(1)。 题称化合物(1)是由次甲基-双(2-硝亚胺基-5-硝基-1.3.5-三氮杂环己烷)(2)用硝酸-乙酐混合物硝化制得。经过红外光谱、核磁共振氢谱、元素分析及分子量测定的鉴定,确定化合物(1)为预想结构。     

溶剂表面侵蚀对硝基胍发射药燃烧性能的影响

为了改善硝基胍发射药的燃烧性能,利用溶剂对其表面进行物理侵蚀处理,在硝基胍发射药表面层100μm深度范围内形成不同的微孔结构表面。采用扫描电镜观察4种发射药样品的表面微观形貌,通过密闭爆发器实验获得4种发射药燃烧的压力-时间曲线,分析了发射药的燃烧性能变化。研究结果表明,经表面物理侵蚀制备的1#发射药样品质量损失为1.94%时,形成的微孔结构有利于提高发射药的综合燃烧性能,表面微孔结构降低了硝基胍发射药的燃速压力指数。     

十二烷基胍盐改性凹土的制备及应用

制备了一种十二烷基胍亚硫酸盐改性凹凸棒土的材料,利用红外、X射线衍射以及电镜对该材料结构进行了表征.将十二烷基胍盐改性凹土的材料用于处理含邻硝基酚的模拟废水,考察了吸附时间、pH值、邻硝基酚初始浓度以及改性凹土用量对吸附性能的影响.结果表明,在邻硝基酚初始质量浓度为100 mg/L、pH值为7、改性凹土用量为15 g/L、超声时间为40min时,邻硝基酚的去除率达到82.10%.     

超细颗粒低密度硝基胍（NQ）的爆炸性能研究

研究了两种晶型的超细颗粒低密基胍的成形工艺起爆和传爆性肾以及它们的爆轰性能，得到了两种晶型在密度在０．５－０．８ｇ．ｃｍ＾－３时有约束装药条件爆速和爆压随密度的变化规律，为硝基胍的应用提供了可靠的依据。     

超短激光双脉冲在硝基苯胺分子介质中传播的动力学过程

通过数值求解麦克斯韦-布洛赫方程，研究了2个相干超短激光脉冲在硝基苯胺分子（pNA分子）介质中的非线性传播过程．量化计算表明该分子在低能级区域内只有1个电荷转移态，因此可把该分子看作二能级体系．当3竹共振脉冲与4π非共振脉冲先后入射到硝基苯胺分子介质中进行传播时，3π脉冲的能量将转移给后面的4竹脉冲，前者面积逐渐变为2π，激发分子能级占有率发生一次完整的拉比振荡；后者在介质中仍保持非共振传播，只能激发分子能级占有率发生不完整的拉比振荡．脉冲的频谱发生展宽，并在共振频率附近振荡剧烈．通过引入固有偶极矩为零的赝分子作为比较对象，发现硝基苯胺分子的固有偶极矩导致非线性传播过程更为复杂．     

Markedness and its Interpretation in Language Use

Language markedness is a common phenomenon in languages, and is reflected from hearing, vision and sense, i.e. the variation in the three aspects such as phonology, morphology and semantics. This paper focuses on the interpretation of markedness in language use following the three perspectives, i.e. pragmatic interpretation, psychological interpretation and cognitive interpretation, with an aim to define the function of markedness.     

Lower Paleozoic oil relationships within Williston Basin, Canada

The Williston Basin is a significant petroleum province, containing oil production zones that include the Middle Cambrian to Lower Ordovician, Upper Ordovician, Middle Devonian, Upper Devonian and Mississippian and within the Jurassic and Cretaceous. The oils of the Williston Basin exhibit a wide range of geochemical characteristics defined as "oil families", although the geochemical signature of the Cambrian Deadwood Formation and Lower Ordovician Winnipeg reservoired oils does not match any "oil family". Despite their close stratigraphic proximity, it is evident that the oils of the Lower Palaeozoic within the Williston Basin are distinct. This suggests the presence of a new "oil family" within the Williston Basin. Diagnostic geochemical signatures occur in the gasoline range chromatograms, within saturate fraction gas chromatograms and biomarker fingerprints. However, some of the established criteria and cross-plots that are currently used to segregate oils into distinct genetic families within the basin do not always meet with success, particularly when applied to the Lower Palaeozoic oils of the Deadwood and Winnipeg Formation.     

An Analysis of Catherine＇s Character——Wuthering Heights

Wuthering Heights, Emily Bronte＇s only novel, was published in December of 1847 under the pseudonym Ellis Bell. The book did not gain immediate success, but it is now thought one of the finest novels in the English language. Catherine is the key character of this masterpiece, because everybody and everything center on her though she had a short life. We can understand this masterpiece better if we know Catherine well.     

Characterization of Ordovician carbonate reservoirs, southeastern Saskatchewan, Canada

The discovery of the prolific Ordovician Red River reservoirs in 1995 in southeastern Saskatchewan was the catalyst for extensive exploration activity which resulted in the discovery of more than 15 new Red River pools. The best yields of Red River production to date have been from dolomite reservoirs. Understanding the processes of dolomitization is, therefore, crucial for the prediction of the connectivity, spatial distribution and heterogeneity of dolomite reservoirs.The Red River reservoirs in the Midale area consist of 3～4 thin dolomitized zones, with a total thickness of about 20 m, which occur at the top of the Yeoman Formation. Two types of replacement dolomite were recognized in the Red River reservoir: dolomitized burrow infills and dolomitized host matrix. The spatial distribution of dolomite suggests that burrowing organisms played an important role in facilitating the fluid flow in the backfilled sediments. This resulted in penecontemporaneous dolomitization of burrow infills by normal seawater. The dolomite in the host matrix is interpreted as having occurred at shallow burial by evaporitic seawater during precipitation of Lake Almar anhydrite that immediately overlies the Yeoman Formation. However, the low δ18O values of dolomited burrow infills (-5.9‰～ -7.8‰, PDB) and matrix dolomites (-6.6‰～ -8.1‰, avg. -7.4‰ PDB) compared to the estimated values for the late Ordovician marine dolomite could be attributed to modification and alteration of dolomite at higher temperatures during deeper burial, which could also be responsible for its 87Sr/86Sr ratios (0.7084～0.7088) that are higher than suggested for the late Ordovician seawaters (0.7078～0.7080). The trace amounts of saddle dolomite cement in the Red River carbonates are probably related to "cannibalization" of earlier replacement dolomite during the chemical compaction.     

Features of Women's language

Language is a means of verbal communication. People use language to communicate with each other. In the society, no two speakers are exactly alike in the way of speaking. Some differences are due to age, gender, statue and personality. Above all, gender is one of the obvious reasons. The writer of this paper tries to describe the features of women＇s language from these perspectives： pronunciation, intonation, diction, subjects, grammar and discourse. From the discussion of the features of women＇s language, more attention should be paid to language use in social context. What＇s more, the linguistic phenomena in a speaking community can be understood more thoroughly.     

Design and analysis of generic LBS application developing platform

Location based services is promising due to its novel working style and contents.A software platform is proposed to provide application programs of typical location based services and support new applications developing efficiently. The analysis shows that this scheme is easy implemented, low cost and adapt to all kinds of mobile nework system.     

橡胶颗粒沥青混合料低温抗裂性试验研究

以AC-13级配为基础,将橡胶颗粒代替部分集料掺入混合料中,以低温弯曲试验为评价方法对不同橡胶颗粒掺量下沥青混合料的低温抗裂性进行研究,并引入应变能密度值对混合料的低温抗裂性进行综合评价.试验结果表明:橡胶颗粒沥青混合料试件的破坏微应变均超过2 300,满足冬寒区的技术指标;无论是否掺加橡胶颗粒,随着温度的下降,沥青混合料破坏时的最大弯拉强度增大,弯拉应变降低,劲度模量增大;弯曲应变能密度在胶粒掺量为1%左右时具有较大的弯曲应变能密度值,此时橡胶颗粒沥青混合料具有较好的低温抗裂性.     

A computer generator for randomly layered structures

AcomputergeneratorforrandomlylayeredstructuresYUJia shun1,2,HEZhen hua2(1.TheInstituteofGeologicalandNuclearSciences,NewZealand;2.StateKeyLaboratoryofOilandGasReservoirGeologyandExploitation,ChengduUniversityofTechnology,China)Abstract:Analgorithmisintrod…     

低渗透非均质砂岩油藏启动压力梯度研究

理论推导与室内实验相结合,建立了低渗透非均质砂岩油藏启动压力梯度确定方法。首先借助油藏流场与电场相似的原理,推导了非均质砂岩油藏启动压力梯度计算公式。其次基于稳定流实验方法,建立了非均质砂岩油藏启动压力梯度测试方法。结果表明:低渗透非均质砂岩油藏的启动压力梯度确定遵循两个等效原则。平面非均质油藏的启动压力梯度等于各级渗透率段的启动压力梯度关于长度的加权平均;纵向非均质油藏的启动压力梯度等于各渗透率层的启动压力梯度关于渗透率与渗流面积乘积的加权平均。研究成果可用于有效指导低渗透非均质砂岩油藏的合理井距确定,促进该类油藏的高效开发。     

Quantitative trait loci （QTLs） for quality traits related to protein and starch in wheat

Quality traits in wheat （Triticum aestirum L.） were studied by quantitative trait locus （QTL） analysis in a recombinant inbred line （RIL） population, a set of 131 lines derived from Chuan 35050 × Shannong 483 cross （ChSh）. Grains from RILs were assayed for 21 quality traits related to protein and starch. A total of 35 putative QTLs for 19 traits with a single QTL explaining 7.99-40.52% of phenotypic variations were detected on 10 chromosomes, 1D, 2A, 2D, 3B, 3D, 5A, 6A, 6B, 6D, and 7B. The additive effects of 30 QTLs were positive, contributed by Chuan 35050, the remaining 5 QTLs were negative with the additive effect contributed by Shannong 483. For protein traits, 15 QTLs were obtained and most of them were located on chromosomes 1 D, 3B and 6D, while 20 QTLs for starch traits were detected and most of them were located on chromosomes 3D, 6B and 7B. Only 7 QTLs for protein and starch traits were co-located in three regions on chromosomes 1D, 2A and 2D. These protein and starch trait QTLs showed a distinct distribution pattern in certain regions and chromosomes. Twenty-two QTLs were clustered in 6 regions of 5 chromosomes. Two QTL clusters for protein traits were located on chromosomes 1D and 3B, respectively, three clusters for starch traits on chromosomes 3D, 6B and 7B, and one cluster including protein and starch traits on chromosome 1D.