定容条件下火药实际燃烧规律的数值模拟

为研究火药的实际燃烧规律,建立了定容条件下火药燃烧的修正数学模型,分析了火药实际弧厚的分布及变化、点火不同步和燃速系数变化等因素对火药实际燃烧规律的影响。在此基础上,用考虑综合因素的修正数学模型对定容条件下火药的实际燃烧过程进行了模拟,计算值与实验结果具有较好的一致性,说明修正模型所建立的假设及处理方案是合理的。     

FOF-18结构与性能的量子化学研究

用B3LYP法,在6-31G基组水平上优化了FOF-18的几何构型,得其稳定的几何构型;在振动分析的基础上求得体系的振动频率、IR谱;采用Monte-Carlo方法预估了密度;设计等键等电子反应计算了生成焓;运用Kamlet公式预测爆速、爆压和爆热;将计算性能与CL-20的性能作比较。结果表明,FOF-18整个分子呈N字形,且存在7个强吸收峰,密度2.06g/cm3、生成焓501.03kJ/mol、爆速9411.82m/s、爆压42440.76MPa、爆热6637.46kJ/kg,该化合物的性能与CL-20接近。     

Formation of bed agglomeration in a fluidized multi-waste incinerator

A case study was carried out to investigate the bed agglomeration observed in a fluidized bed incinerator when burning blends of three wastes (carbon soot, biosludge and fuel oil). Several instrumental approaches were employed (i.e. XRF, SEM, XRD, and ICP-AES) to identify the bed materials (fresh sand and degrader sand) and clinkers formed in the full-scale incinerator tests. Several elements (V, Al, S, Na, Fe, Ni, P, and Cl), which normally are associated with the formation of low melting point compounds, were found in the waste blends at high content levels. The clinker bridges were identified to be associated with Al, Fe, V, K, Na, S, Ni, and Si elements.The effects of temperature and blending ratio were investigated in a muffle furnace. Carbon soot is believed to be more susceptible to the clinker formation than the other two fuels. Thermodynamic multi-phase multi-component equilibrium calculations predict that the main low melting point species could be Al₂(SO₄)₃, Fe₂(SO₄)₃, Na₂SO₄, NaCl, Na₂SiO₃ and V₂O₅. This information is useful to understand the chemistry of clinker formation. Also, it helps to develop methods for the control and possible elimination of the agglomeration problem for the design fuels.     

Unsteady radiative heat transfer within a suspension of ZnO particles undergoing thermal dissociation

An emitting, absorbing, and anisotropically scattering plain medium containing a suspension of ZnO particles is considered, in which the particles are directly exposed to high-flux irradiation and undergo shrinkage during their endothermic dissociation into Zn(g) and O₂ at above 2100 K. The unsteady energy equation that links the rate of radiative heat transfer to the rate of the chemical reaction is formulated and solved numerically by the finite volume technique and the explicit Euler time-integration scheme. The path-length Monte Carlo method is applied for modeling the radiative transfer within the suspension using the absorption/scattering coefficients and the scattering phase function obtained from the Mie theory. It is found that the particle suspension can be heated rapidly from its initial 300 K to over 1800 K in less than 0.1 s, resulting in a more uniform temperature profile as the reaction progresses, particles shrink, and the suspension becomes optically thinner. The chemical conversion increases with decreasing initial particle diameter and volume fraction due to the efficient radiative absorption.     

苯甲醇制造方法

阐述了苯甲醇的各种制造方法和国内外发展趋势，指出甲苯氧化制苯甲酸时，副产10%～15%(wt)苯甲醇，分离精制，是一种有重大工业潜力的方法。还提到了“绿色化学”合成路线，指出了各种路线的优缺点。     

过度开采对地下水水化学特征的影响研究

为探究过度开采对地下水水化学特征的影响,通过对比分析研究区1997年和2010年的地下水水位与水质资料,研究了过度开采条件下地下水水位与水化学特征的动态规律及两者之间的联系。研究结果表明:1997年和2010年研究区地下水水位与水化学特征的空间变化规律具有很高的一致性,表现为地下水水位降幅较大的区域对应的镁离子、硫酸盐含量增幅也相对较大,地下水水化学特征受地下水水位变化的影响较大。空间叠加分析结果表明:镁离子、硫酸盐与地下水水位变化较大的区域空间重合率分别为72.2%,53.1%。过度开采通过改变地下水补径排条件及饱和带、非饱和带的水环境变化对地下水水化学特征产生影响,因此对于地下水不可盲目、过度开采。     

淀粉化工新进展

本文综述了国内外淀粉化工的发展概况，从氨基酸和有机酸、螯合物、羧甲基淀粉、淀粉塑料、淀粉基表面活性剂和淀粉粘合剂等６个方面评述了淀粉化工的新进展。提出以淀粉及水解产物、衍生物为原料，进行深度加工，开发一系列化工产品，是发展我国淀粉化工的重要途径之一。     

Combinatorial chemistry methods for coating development: VI. Correlation of high throughput screening methods with conventional measurement techniques

Combinatorial chemistry has proven to be a valuable tool for the development of new compounds. In the pharmaceutical industry, where combinatorial chemistry began, the approach has been instrumental in the high-speed development of new drugs. Due to the overwhelming success of the combinatorial methodology in the pharmaceutical industry, it has been recently applied to materials development. We have recently developed a combinatorial factory capable of preparing and evaluating on the order of 100 organic clear coatings in a day.

One of the most challenging aspects of the creation of the combinatorial factory was the development of the high throughput screening (HTS) methods for the primary coating properties of interest such as optical clarity, abrasion resistance, adhesion, and weatherability. For each property, an entirely new method was developed that allowed for rapid measurement of these properties on very small samples. This paper describes various aspects of the development of these novel measurement systems including the correlation of the HTS methods with conventional, industry standard measurement methods.     

水源热泵影响下地下水温度主控因素关联度分析

为研究地下水源热泵长期影响下,地下水温度主控因素的变化特征,选择安阳市第五人民医院为研究区,将地下水温度作为典型的灰色系统进行研究,采用灰色关联度的计算方法进行地下水温度、地下水位埋深、气温、降水量以及回水井水温之间的关联度分析,获取地下水温变化的主控因素。研究结果表明:在不受水源热泵影响时,地下水位埋深是地下水温度的主控因素。在水源热泵影响下,地下水温受气温、降水量、地下水位埋深和回水井水温的共同影响:在垂向上,回水井水温对监测井水温的影响程度随着深度的增大而逐渐降低,地下水温度的主控因素由回水井水温转变为地下水位埋深,在水平方向上,回水井水温对监测井水温的影响程度随着距离的增大而逐渐减小,地下水温度的主控因素由回水井水温转变为气温和地下水位埋深。