2-（4-氯苯氨基）甲基苯酚降解的动力学研究

采用高效液相色谱技术,开展了Fenton试剂对2-（4-氯苯氨基）甲基苯酚（CMP）的氧化降解动力学的研究。考察了初始双氧水摩尔浓度、亚铁离子摩尔浓度和温度等因素对CMP降解速率的影响,结果表明,当双氧水摩尔浓度、亚铁离子摩尔浓度增大和温度升高时,CMP的氧化速率明显加快。在30~45℃的温度范围内,其氧化降解符合假一级反应动力学模型,反应的表观活化能Ea为102.90kJ/mol。     

基于表面反应和扩散迁移控制的灰岩单裂隙渗流—溶解模型及其数值模拟

针对碳酸盐类可溶岩地区水电站坝址流场、化学场以及固相介质属性等随时间发生改变,从而对工程安全运行造成不利影响等问题,研究了灰岩地区地下水运移过程中各物理场间的相互作用,分析了影响灰岩溶解速率的两个因素,即表面反应控制和扩散迁移控制。在此基础上,建立了单裂隙中的渗流—溶解耦合模型,并进行数值求解。模拟结果表明,在垂直裂隙延伸方向,其溶蚀锋面为非齐整平面,而是呈似“虫洞”状非均一变化,而沿裂隙延伸方向即自上游侧向下游方向溶蚀程度逐渐减轻;而通过裂隙的流量呈现随时间逐渐增大的趋势,但变幅不大;根据流量求得的等效水力隙宽,其增幅和增长速率均小于实际平均隙宽;同时,化学场中Ca2+浓度的分布与裂隙开度变化具有相似性,不同时刻下上游侧反应速率R均大于下游侧。就反应机制而言,在初期均受表面反应控制,而随反应进行,位于上游补给区部位转为受扩散迁移控制,但在下游位置仍受表面反应控制。     

REACTIVE DIFFUSION BETWEEN Si AND NbC AT 1300℃

ＲＥＡＣＴＩＶＥＤＩＦＦＵＳＩＯＮＢＥＴＷＥＥＮＳｉＡＮＤＮｂＣＡＴ１３００℃Ｃ．Ｒ．Ｋａｏ（ＤｅｐａｒｔｍｅｎｔｏｆＣｈｅｍｉｃａｌＥｎｇｉｎｅｅｒｉｎｇＮａｔｉｏｎａｌＣｅｎｔｒａｌＵｎｉｖｅｒｓｉｔｙＣｈｕｎｇＬｉ，Ｔａｉｗａｎ）Ｊ．Ｗｏｏｄｆ...     

考虑桩顶水平反力的水平受荷单桩弹塑性解析解

基于线性地基反力法和土体的弹塑性本构关系,对桩顶水平反力系数不为零时的水平受荷桩进行了研究,给出了桩顶土屈服临界荷载（水平力、弯矩）的耦合关系式。研究结果表明,当荷载大于临界荷载时,桩顶土发生塑性屈服,其塑性屈服深度随荷载的增加而增加,但其塑性区扩展速率随桩顶荷载的增加而逐渐减小。给出了弹性区与塑性区桩内力耦合的矩阵方程及其迭代求解格式;利用曲面拟合软件给出了塑性区换算深的计算公式。通过工程算例验证,证明该方法可靠快捷,便于手算,值得推广。      

一种基于GPU加速的细粒度并行蚁群算法

为改善蚁群算法对大规模旅行商问题的求解性能,提出一种基于图形处理器(GPU)加速的细粒度并行蚁群算法.将并行蚁群算法求解过程转化为统一计算设备架构的线程块并行执行过程,使得蚁群算法在GPU中加速执行.实验结果表明,该算法能提高全局搜索能力,增大细粒度并行蚁群算法的蚂蚁规模,从而提高了算法的运算速度.     

典型炼油装置数据校正技术的研究

化工过程测虽数据作为反映装置运行状况的特征信息,是实现计算机过程控制、模拟、优化和生产管理的基本依据.研究过程数据校正技术,对实现装置优化控制与管理具有重要理论意义和现实意义.现有理论研究大都采用传统统计检验和线性化处理方法,在实际应用有较大局限性.本文在对已有数据校正技术分析的基础上,提出将修正的时间序列分析法用于测量数据校正.综合考虑数据的窄间冗余和时间冗余,充分利用过程的历史数据,建立了时间序列概率模型,并针对含随机误差数据和含过失误差数据两种情况,从时序法平均值、阶跃过程模型等方面详细探讨数据校正方法.将新的数据校正方法用于典型常减压蒸馏装置,结果表明,新方法能够侦破出数据中含有的过失误差;校正值与真值的平均偏差非常小,具有足够的精度保证数据的准确性;修正的时间序列分析法用于数据校正能克服传统方法的局限性.     

Computational simulation of Belousov–Zhabotinskii oscillating chemical reaction

The suitability of computational simulation of the Belousov–Zhabotinskii oscillating chemical reaction by differential kinetic methodology for resolving nonlinear multi-component system is demonstrated in this work. According to the Field–KÖrÖs–Noyes mechanism and the Oregonator model, the change of the concentrations of HBrO₂, bromide ion and cerium ion are simulated. The results of computational simulation are consistent with experimental results very well. At the same time, the effect of variables and parameters, especially the rate constant on the oscillation curve, are investigated deeply. A simple method of estimating rate constants is obtained through simulation the concentrations of key components of the system, and then comparison the simulation results with the experimental ones. The reasonable rate constant is also proposed.     

Energy conversion at liquid/liquid interfaces: artificial photosynthetic systems

This chapter focuses on multielectron reactions in organized assemblies of molecules at the liquid/liquid interface. We describe the thermodynamic and kinetic parameters of such reactions, including the structure of the reaction centers, charge movement along the electron transfer pathways, and the role of electric double layers in artificial photosynthesis. Some examples of artificial photosynthesis at the oil/water interface are considered, including water photooxidation to the molecular oxygen, oxygen photoreduction, photosynthesis of amphiphilic compounds and proton evolution by photochemical processes.     

Amine Coordinated Electron-Rich Palladium Nanoparticles for Electrochemical Hydrogenation of Benzaldehyde

Electrocatalytic hydrogenation (ECH) is a burgeoning strategy for the sustainable utilization of hydrogen. However, how to effectively suppress the competitive hydrogen evolution reaction (HER) is a big challenge to ECH catalysis. In this study, amine (NH₂ R)-coordinated Pd nanoparticles loaded on carbon felt (Pd@CF) as a catalyst is successfully synthesized by a one-step solvothermal reduction method using oleylamine as the reducing agent. An exceptional ECH reactivity on benzaldehyde is achieved on the optimal Pd@CF catalyst in terms of a high conversion (89.7%) and selectivity toward benzyl alcohol (89.8%) at −0.4 V in 60 min. Notably, the Faradaic efficiency for producing benzyl alcohol is up to 90.2%, much higher than that catalyzed by Pd@CF-without N-group (41.1%) and thecommercial Pd/C (20.9%). The excellent ECH performance of Pd@CF can be attributed to the enriched electrons on Pd surface resulted from the introduction of NH₂ R groups, which strengthens both the adsorption of benzaldehyde and the adsorbed hydrogen (H_ads) on Pd, preventing the combination of H_ads to form H₂, that is, inhibiting the HER. This study gives a new insight into design principles of highly efficient electrocatalysts for the hydrogenation of unsaturated aldehydes molecules.     

Improved inter-view correlations for low complexity MV-HEVC

The more advanced multi-view extension, MV-HEVC, effectively exploits visual similarities between multi-view videos and enables high compression efficiency. Each view in the multi-view sequence depends on the captured scene, the distance between cameras and recording angles. Increasing the distance between dependent viewpoints generates an inter-view disparity. This impacts the inter-view similarities, affects the disparity estimation and further increases the computational complexity of the MV-HEVC encoder. In this paper, an efficient earlier disparity estimation is proposed for low complexity MV-HEVC. This algorithm is based on reducing the complexity of disparity estimation by eliminating the inter-view offset. Moreover, the inter-view similarities are controlled by considering the reliability of each coding unit size in the search range. This reliability is estimated by reducing the number of searching points within a new limited window. For reliable motion estimation, we further proposed an earlier decision of coding units splitting in the dependent views according to those in the reference views. Experimental results show that the proposed algorithm can achieve an average encoding time saving of 20.37%–40,61% with marginal performance degradation.