Numerical simulation of the multicomponent mass transfer during Bridgman growth of CdZnTe crystal using Maxwell-Stefan diffusion model

To reveal the complicated mechanism of the multicomponent mass transfer during the growth of ternary compound semiconductors, a numerical model based on Maxwell-Stefan equations was developed to simulate the Bridgman growth of CdZnTe crystal. The Maxwell-Stefan diffusion coefficients in the melt were estimated. Distributions of Zn, Cd, and Te were calculated with variable ampoule traveling rate and diffusion coefficients. The experimental results show that Zn in melt near the growth interface decreases and diffuses from the bulk melt to the growth interface. For Cd, the situation is just the opposite. The coupling effects of Zn and Cd diffusions result in an uphill diffusion of Te at the beginning of the growth. Throughout the growth, the concentration of Te in the melt keeps low near the growth interface but high far from the growth interface. Increasing the ampoule traveling rate will aggravate the segregation of Zn and Cd, and hence deteriorate the uniformity of Te. We also find that not only the diffusion coefficients but also the ratios between them have significant influence on the species diffusions.     

New soft morphological parameterized symmetric logarithmic image processing filtering algorithm

Synthetic Aperture Radar (SAR) imaging has the inherent random speckle noise, which seriously affects the quality of the SAR image, and it is very important to study the suppression of the speckle noise. In view of the fact that the traditional spot noise suppression method could not remove speckle noise while protecting the image texture information, a novel filtering algorithm is proposed based on the soft morphological and parameterized symmetric logarithmic image processing model. The proposed algorithm combines the flexibility of the order-statistic soft morphological operations and the characteristic of the parameterized symmetric logarithmic image processing model which establishes a parameterized symmetric structure processing part of the image, which can suppress speckle noise while protecting the texture information on the image. In order to validate the despecking performance of the proposed algorithm, we compare the effect of the filter with some of the existing filtering algorithms, and use some of the image evaluation parameters of the suppress speckle noise image to evaluate the performance of the SMPSLIP filtering algorithm. Experimental results show the effectiveness of this algorithm.     

Synthesis and Characterization of Novel Biodegradable Poly (butylene succinate-co-triethylene glycol succinate)Copolymers

Novel biodegradable aliphatic polyesters,poly(butylene succinate-co-triethylene glycol succinate)(P(BS-co-TEGS))and poly(butylene succinate)(PBS),were synthesized through a two-step procedure of esterification and polycondensation with succinic acid and1,4-butanediol/triethylene glycol as raw materials as well as tetrabutyl titanate and diphenylphosphinic acid as the co-catalysts.The chemical structure and molecular weight of the copolymers were characterized by 1~H nuclear magnetic resonance(~1H NMR)and gel permeation chromatography(GPC),respectively.In addition,thermal properties,crystal structure and mechanical properties were also analyzed with various techniques.P(BS-co-TEGS)exhibited more excellent mechanical properties than PBS,especially in elongation at break.Meanwhile,the crystal structure and thermal stability of the P(BS-co-TEGS)have hardly changed.The crystallinity of P(BS-co-TEGS)was lower than that of PBS and decreased with the increase of mole ratio of triethylene glycol.With the increase of TEGS unit molar composition,the melting point(T_m),crystallization temperatures(T_c)and heat of fusion(ΔH_m)of P(BS-co-TEGS)decreased,while glass transition temperature(T_g)increased.     

办公建筑中空调形式对室内外PM2.5浓度相关性的影响

室外PM2.5可通过新风及围护结构缝隙渗透至室内,室外PM2.5较高时尤为明显,结果导致室内空气中的PM2.5浓度上升。为了研究空调形式对室内外PM2.5浓度相关性的影响,在2015年夏季对重庆某办公建筑中采用不同空调形式的室内外PM2.5浓度进行了实测。实测结果发现：集中式空调、分体式空调和非空调房间室内外PM2.5浓度比变化范围分别为0.59～0.76、0.47～0.76、0.71～0.91。室内外PM2.5浓度相关性系数的排序为：集中式空调环境（0.94）> 非空调环境（0.92）> 分体式空调环境（0.77）,研究结果表明,办公建筑的空调形式,对室内外PM2.5浓度的相关性有影响。     

高亲水低黄变超软滑嵌段硅油R4的应用研究

用R4分别在纯棉织物、丝光棉、CVC上进行整理,用量为50 g/L~90 g/L;手感可达5级,柔软、滑爽、细腻,肤感强;黄变和色变小;亲水性小于1 s,能达到"瞬间亲水"。与市售柔软剂相比手感高半级以上,亲水性好。同时,R4稳定性好,配伍性强。     

脱硝系统改造后炉膛负压波动原因分析及对策

选择性催化还原法(SCR)是目前燃煤电厂普遍采用的烟气脱硝技术,锅炉加装SCR脱硝装置后易出现空预器堵塞、炉膛负压异常波动等问题。以某燃煤机组为例,对空气预热器进出口压差、炉膛负压、入炉煤质、机组运行工况等进行综合分析,发现炉膛负压异常是由于锅炉进行SCR烟气脱硝时空气预热器发生局部堵塞,其根本原因为SCR装置过量喷氨或局部过量喷氨造成大量氨逃逸所致。并在分析原因的基础上提出治理对策。     

唑类化合物双氢键催化转酰胺反应的机制研究

通过密度泛函M062X方法在6-31+G(d)基组水平上考察乙酰胺与甲胺在唑类化合物咪唑、吡唑和苯并三唑双氢键催化作用下的转酰胺反应机制。在该机制中,催化剂通过与底物乙酰胺的羰基氧以及氨基上的一个氢形成双氢键来活化其酰胺键,从而有利于亲核试剂甲胺对乙酰胺酰胺键的亲核进攻。计算结果显示,咪唑和吡唑催化的转酰胺反应焓变能垒分别是123.9 kJ·mol-1和92.3 kJ·mol-1,而苯并三唑做催化剂时焓变能垒降低为88.3 kJ·mol-1,其催化效果优于咪唑和吡唑。当运用溶质全电子密度溶剂化模型SMD (solvation model density)来考察甲苯和水作为溶剂对苯并三唑催化的转酰胺反应产生的溶剂效应时,发现溶剂的加入使反应焓变能垒明显升高,说明溶剂的加入并不利于反应的进行     

用变化代数能量自洽法研究NaH和CsH电子基态的解析势能函数

使用研究双核分子微观振动能量的变分代数法(variational algebraic method,VAM)计算获得NaH和CsH 2个分子电子基态的完全振动能谱;从这些精确的VAM完全振动能谱出发,利用变分代数能量自洽法(variational algebraic energy consistent method,VAECM),通过调节参数λ确定NaH-X1∑+和CsH-X1∑+ 2个分子电子基态的解析势能函数。获得的势能曲线能准确地重复电子态在低激发振动区域已有的实验振动能级,同时在高激发振动离解区和渐近区也给出一个准确的振动物理行为,并正确地收敛于实验离解能。研究结果表明,所获得的VAM完全振动能谱和VAECM解析势能函数优于目前其他方法的研究结果。     

地震反演地震地质储层参数转换应用——以歧口地区为例

针对同一研究区不同研究目标,对地震反演方法进行优化组合后,得到相应的波阻抗反演体,再进行储层参数转换。测井曲线重构波阻抗反演及多门槛制法砂体厚度预测相结合,有效提高了歧口地区深层砂体厚度预测的准确性。根据原始波阻抗反演结果,结合Fillippone法计算地层压力系数理论,提出断陷盆地不同埋深地层压实差异影响因素下地层压力系数计算方法,通过歧口地区异常压力预测可能的深层天然气富集区,预测与实际钻井结果相符。     

不确定性数据的分类方法研究综述

传统的数据挖掘分类方法能够成功地应用于确定性数据分类,但却无法满足绝大多数领域中复杂的不确定性数据的分类需求,由此出现了一系列针对不确定性数据的分类方法。通过大量研究,目前经典的分类算法及针对不确定数据分类的改进方法得到了很大发展,如改进后的支持向量机算法、朴素贝叶斯算法、决策树算法等日渐成熟。