考虑水合物分解的海底斜坡稳定计算方法研究

采用随时间变化参数的摩尔库伦本构模型和应力释放法模拟水合物分解过程中模量的软化和强度的衰化过程,开发相应计算程序并通过数值计算研究水合物分解对海底斜坡稳定与变形的影响规律。计算结果表明:本文开发的计算方法能够较好地模拟水合物分解过程,根据收敛的迭代步数可以判断斜坡在水合物分解过程中是否达到极限平衡状态;水合物分解导致的强度衰化和模量软化是海底斜坡发生水平位移和竖向沉降的主要原因。     

药物与受体靶标结合动力学对体内药效的影响

为了解决如何筛选出更加有效的抗病毒类化合物的问题,研究了离解速率（k_off）与抗病毒类药物结构的关系,理论依据是k_off常用于评价药物在人体开放性系统中的活性.首先,应用分子描述符软件计算出每个抗病毒类化合物的分子描述符,并使用多元逐步回归分析法、偏最小二乘法和遗传算法3种方法对描述符进行筛选.然后,分别采用支持向量机和BP神经网络方法建立抗病毒类化合物的k_off的预测模型,并用测试集对模型进行了验证.结果表明：筛选出了具有良好预测能力的描述符,建立的2个预测模型经验证均合理,对未来抗病毒类药物的研制具有指导意义.

     

云南某金矿矿石工艺矿物学特征

摘要：通过利用化学分析,x射线衍射和光学显微镜等方法,系统研究了云南省某金矿的矿物学特征。结果表明,该矿石的金品位为3.55 g/t,伴生元素银为2.96 g/t,可综合回收。黄金矿产以天然金和银金为主,其细粒度分布特性复杂。金的主要载体矿物黄铁矿等硫化物矿物,粒度也都很细,还有一些自然金以细小颗粒和微颗粒嵌入脉石矿物。进行了浮选磨矿细度探索性试验,确定该矿样合适的磨矿细度为-0.045mm70%。试验研究成果为制定合理的选矿工艺提供了依据。     

加载速率对位错发射、层错宽度及位错速度影响

应用分子动力学方法研究了Cu和Al单晶在Ⅱ型加载条件下,加载速率对位错发射、层错宽度W及位错速度V_d的影响.结果表明,加载速率对W和V_d有显著影响.随着加载速率的增大,层错宽度减小,位错速度增大.当加载速率达到某一临界值时,能量不仅以发射位错的形式释放,而且形成孪晶,以降低体系的能量.     

Theoretical studies of CO adsorption and dissociation on Ru in presence of Cl or MoO x

Using the extended Hückel molecular orbital method we studied the adsorption and dissociation of CO over a Ru cluster with Cl or MoO preadsorbed onto it. Previous experimental information oriented us to think that the remaining Cl present in Ru/SiO₂ and RuMo/SiO₂ catalysts could influence their chemisorptive and catalytic properties. On this basis our theoretical model explains the observed activity and selectivity during the CO + H₂ reaction, that is, Cl decreases the adsorption of CO and hinders its dissociation. This could lead to the appearance of methanol as a synthesis product. On the other hand, our theoretical calculations indicate that the presence of MoO on top of the Ru cluster favors the adsorption of CO parallel to the cluster surface. They also predict an energy barrier for its dissociation which is interpreted in terms of the possible insertion of this CO molecule into a metal-methyl bond thereby forming the ethanol precursor.     

乙炔安全水封爆炸事故分析与预防

介绍了作用-变化和作用连锁模型。该模型用于化工过程的危险辨识,能够清楚地描述事故发生的过程,辨识化工过程固有危险及其解离方式;发现现有的解离方式存在二次危险,是事故发生的原因;运用解离或控制作用消除二次危险,能够实现系统安全。示例中运用该模型对乙炔安全水封爆炸事故进行了危险辨识,证明了上述结论的正确性。     

Pyrolysis of waste using a hybrid argon–water stabilized torch

An experimental plasmachemical reactor equipped with the novel IPP-ASCR hybrid gas–water stabilized DC torch (160 kW) has recently been started at IPP Prague for the innovative and environmentally friendly plasma treatment of waste streams with a view to their sustainable energetic and chemical valorization and to a reduction of the emission of greenhouse gases. Since the process energy is provided by direct heat transfer from plasma, gases of widely varying chemical composition may be used. The use of electrical energy also reduces the gas flows and requirements for exhaust-gas treatment, and offers control over the chemistry. Pyrolysis of biomass was experimentally studied using wood chips as a model substance. Syngas with a high content of hydrogen and CO was produced. The influence of adding CO₂ for increase of oxygen content in the reactor was investigated.     

A study of the hydrogenation of kelex 100 loaded with copper

Direct metal precipitation from loaded organic extractants by reaction with hydrogen may offer certain potential advantages over the conventional alternative steps of stripping and electrowinning in extractive metallurgy. As part of an experimental programme involving the interaction of loaded chelating extractants with hydrogen, the thermal and chemical behaviour of loaded Kelex 100 (an alkylated derivative of 8-hydroxyquinoline) was studied. Copper was found to precipitate stoichiometrically with simultaneous organic regeneration from loaded Kelex l00/decanol/kerosene solvents by reaction with hydrogen. The chemical stability of the extractant was some-what reduced when the decanol was removed from the system. In the latter case, some limited hydrogenation of the quinoline nucleus of the extractant and some of the impurities present was observed. When loaded Kelex 100 was heated under nitrogen, a slow thermal dissociation was observed resulting in copper precipitation and apparent organic regeneration.     

Review of Dissociation: Clinical and theoretical perspectives.

Reviews the book, Dissociation: Clinical and theoretical perspectives by Steven Jay Lynn and Judith W. Rhue (see record 1994-98908-000). In this book, the editors' stated purpose was to provide "a book that would be at once authoritative and provide virtually comprehensive coverage of important aspects of the topic," and they have largely achieved their goal. Because Dissociation is so comprehensive, there is in essence "something for everyone"; in turn, there may be sections of the book which are of less relevance to many readers. For example, clinicians who are primarily concerned about issues of diagnosis and treatment may find the discussion of the theoretical underpinnings of hypnosis and dissociation less than helpful. The sections on diagnosis and treatment, in turn, are of an overview nature; a clinician who is interested in more detailed discussions of these issues will have to go to the original sources. Nevertheless, this book might well be recommended as required reading for clinicians and researchers alike because of its very broad scope. The various authors address important questions which clinicians and researchers should consider. Dissociation makes clear that the concept of dissociation is one of the most complicated and misunderstood concepts in psychology. The history of the concept itself is reviewed at length in the book. Nevertheless, Lynn and Rhue have provided a resource in which a wide variety of perspectives of both a clinical and research nature are presented in a comprehensive yet accessible manner. (PsycINFO Database Record (c) 2010 APA, all rights reserved)