Development and prevalidation of a method for phenol determination by solid-phase spectrophotometry

A simple, sensitive and rapid solid-phase spectrophotometric procedure was developed for the determination of traces of phenol with 4-aminoantipyrine as a reagent (AAP-SPS), and the optimal experimental conditions were established. This method was performed by sorption and direct absorbance measurements of the product phenol-AAP sorbed on the anion-exchanger Dowex 1-X4 (0.2 g) at 495 nm (absorption maximum) and 700 nm (non-absorption wavelength). The sensitivity offered by the AAP-SPS procedure was higher by a factor of 40 compared with the respective conventional spectrophotometric method. Metrological characteristics were established using a prevalidation strategy. The AAP-SPS procedure is characterized by a linear calibration function in the working range of 0.05–0.50 μmol, low standard deviation of procedure (±0.012), low limit of determination (0.021 μmol), and favorable random (±0.85 to ±11.27%) and systematic deviations (−4.55 to +11.50%). Moreover, the accuracy of the system investigated by the recovery test is acceptable (99–102%). Favorable working and performance characteristics make the new SPS method ideal for phenol monitoring in pharmaceutical preparations as well as other matrices.     

30 years of research in thermal analysis and calorimetry

The research in thermal analysis and calorimetry, conducted by the author over the period 1964 to 1993, is summarised and concisely reviewed. The major investigations have focussed on thermal analysis studies of coordination compounds, particularly the metal dithiocarbamate complexes. A significant solution calorimetric study of some metal dithiocarbamate complexes has also been undertaken. DSC has been applied to determine the sublimation enthalpies of many metal dithiocarbamate and metal pentane-2,4-dionate complexes and solution calorimetry has been applied to study the thermochemistry of the latter group of complexes. Thermal analysis investigations of several inorganic molten salt systems have been initiated. Thermometric titrimetry has been applied to study metal-macrocyclic ligand systems in aqueous media and particularly those systems of environmental significance. Temperature calibration standards for TMA have been proposed and TMA has been applied to study the mechanical properties of several common inorganic compounds. DTA has been applied to study a wide variety of phenols and has subsequently been applied as an analytical technique to determine the components of solid state phenol mixtures. Thermometric titrimetry has been applied to determine the phenolic content of wines. A comprehensive thermal analysis study of Australian brown coal has been undertaken, involving the DSC determination of coal specific energy, a TG/DTA study of the coal pyrolysis and combustion processes and a TG/DTA and EGA study of the cation catalytic effect on the coal pyrolysis process. Thermal analysis and calorimetric techniques have been extensively publicised and promoted by the publication of specialist reviews, the presentation of symposia review papers and the oral presentation of short courses, particularly in the SE Asian region. This review essentially reveals the diversity of possible application of thermal analysis and calorimetric techniques and the primary significance of thermodynamic data in the fundamental rationalisation of chemical phenomena.     

与时俱进，不断开创物理化学课程建设新局面

As a necessary basic theory course for undergraduates majoring in chemistry, materials, pharmacy, chemical engineering, and biology, physical chemistry plays an important role in cultivating talents to meet the needs of social and economic development. Over the years, the teaching team of physical chemistry of East China University of Science and Technology has carried out the curriculum reform and innovation persistently based on "Team building as the foundation, resource building as the root, mode innovation as the soul, ability training as the origin". This paper will summarize our thinking and experience in striving for the first-class course from the aspects of first-class team construction, first-class resource construction, teaching connotation innovation, teaching mode exploration, and extract the experience that can be used as reference by teaching peers.     

Lamination Design Optimization for Continuous Fiber Reinforced Composites of Variable Thicknesses北大核心CSCD

由于具备高的比强度、比刚度,利用连续纤维增强复合材料代替传统金属材料以实现结构轻量化正受到设计者们的广泛关注。然而,结构的复杂性给复合材料的铺层设计与优化带来了很大的挑战。针对航空用复合材料铺层设计约束多的问题,通过逐步构建设计变量准确表达结构的铺层信息。基于经典遗传算法框架,结合各设计变量特点,定义了铺层优化算法中的遗传算子,通过引入“修复”策略保证了每一代解都能满足设计约束,分布在可行域区间内。最后利用精英保留策略提高了算法的局部寻优能力,可以降低复杂复合材料结构铺层设计的计算成本。通过解决经典benchmark问题并与已有优化结果的比较,验证了前述铺层优化算法的全局、局部寻优能力,为工程实际中的复合材料铺层设计优化提供了理论支撑。     

汽车制造商分时租赁模式采用及产品线策略研究

考虑自有平台和第三方平台两种分时租赁方式,将汽车质量划分为性能质量和环境质量,构建销售模式、纯分时租赁模式和混合模式下的产品线策略模型,研究制造商产品线策略与商业模式之间的相互作用。研究发现,同品牌产品间竞争和合并效应是分时租赁模式影响产品线策略的两个关键因素。同品牌产品间竞争的加剧和合并效应的增大都会激励企业选择性能更好的车型而忽略其环境表现。分时租赁模式能同时改进利润与产品环境表现,但存在条件:当消费者价格敏感性较低时,使用成本高且合并效应小是实现同时改进的条件;当消费者价格敏感较高时,使用成本低且合并效应小则是同时改进的条件。     

A-P-S组合策略的多重绩效及其“褪色”效应分析

为了降低城市交通拥堵及空气污染程度,本文在现有研究的基础上引入罚款政策,利用系统动力学方法原理构建了机动车污染物减排管控模型。通过仿真和比较分析来探索空气污染收费(Air pollution charging fee,简称APCF)、罚款(penalty)和补贴(subsidy)政策(简称A-P-S策略)的作用效果。研究结果表明:一方面,组合策略具有多重绩效,不但能够降低污染损失(经济-环境效益)、死亡人口的生命价值(社会-经济效益)、交通拥堵程度(社会效益)和机动车污染物总量(环境效益),而且能大大改善环境生态承载力(环境效益)和机动车非法出行增长量(社会安全绩效);另一方面,政策在实施过程中也会遇到一定的局限性,如初期的滞后性,后期的“褪色”效应和“反弹”效应,因此,从长期来看,需要及时调整组合方案。最后,根据仿真结果提出了相应的政策建议,进而为城市交通和环保等相关部门提供决策参考。     

Parameter choice by discrepancy principles for ill-posed problems leading to optimal convergence rates

Schock (Ref. 1) considered a general a posteriori parameter choice strategy for the Tikhonov regularization of the ill-posed operator equationTx=y which provides nearly the optimal rate of convergence if the minimal-norm least-squares solution belongs to the range of the operator (T ^* T) ^v , o<v1. Recently, Nair (Ref. 2) improved the result of Schock and also provided the optimal rate ifv=1. In this note, we further improve the result and show in particular that the optimal rate can be achieved for 1/2v1.The final version of this work was written while M. T. Nair was a Visiting Fellow at the Centre for Mathematics and Its Applications, Australian National University, Canberra, Australia. The work of S. George was supported by a Senior Research Fellowship from CSIR, India.     

Doped/Undoped A1-A2 Typed Copolymers as ETLs for Highly Efficient Organic Solar Cells

The electron transport layer (ETL) is a critical component in achieving high device performance and stability in organic solar cells. Conjugated polyelectrolytes (CPEs) have become an attractive alternative due to film-forming properties and ease of preparation. However, p-type CPEs generally exhibit poor charge mobility and conductivity, incorporation of electron-withdrawing units forming alternated D-A conjugated backbone can make up for these deficiencies. Herein, the ratio of electron withdrawing moieties are further increased and two poly(A1-alt-A2) typed PIIDNDI-Br and PDPPNDI-Br based on the combination of naphthalene diimide (NDI) with isoindigo (IID) or diketopyrrolopyrrole (DPP) via direct arylation polycondensation are synthesized. These CPEs possess excellent alcohol solubility, a suitable lowest unocuppied molecular orbital energy level, and work function tunability. Surprisingly, the incorporation of IID and DPP units generate distinct self-doping behaviors, which are confirmed by UV–vis absorption and ESR spectra. However, no matter doped or undoped, both CPEs present better charge-transporting properties and conductivity when utilized as ETLs. The PIIDNDI-Br and PDPPNDI-Br display good universal compatibility with the blend of PM6:Y6 and PM6:L8-BO, and PCEs of 18.32% and 18.36% are obtained, respectively, which also present excellent storage stability. In short, the combination of two different acceptors demonstrates an efficient strategy to design highly efficient ETLs for high performance photovoltaic devices.     

A fixed clustering protocol based on random relay strategy for EHWSN

In Energy Harvesting Wireless Sensor Networks (EHWSN), the communication protocol will directly affect the final performance of the network, so it is necessary to study the communication protocol based on EHWSN. In this paper, for the low-cost fixed clustering problem, a fixed clustering protocol RRCEH is based on random relaying. Our proposed RRCEH abandons the inefficient inter-cluster communication method of the traditional fixed clustering protocol. To coordinate the data upload of the cluster head, RRCEH allocates different random relay vectors to each ring area of the network, and combines all the random relay vectors into a random relay matrix of RRCEH. In each communication round, the cluster head node randomly selects its relay target node to send data according to the probability distribution in the random relay vector in the area. For two different cluster head configuration scenarios, by optimizing the random relay matrix, RRCEH can effectively reduce the network's configuration requirements for cluster head energy harvesting capability, thus reducing the deployment cost of EHWSN.