摘要：The multi-dimensional spaces, spanned by the dimensionless numbers describing the equilibrium states or the macroscopic chemical kinetics of complicated chemical reaction systems, have been used for the data processing of the process-es in materials preparation or industrial production. It has been found that there are four common topological types of the rela-tions between the optimization zone and the operation zone in the multi-dimensional spaces. Various computation methods us-ing pattern recognition, artificial neural network and genetic algorithm are used for model-building and optimization strategy searching. An integrated system named KDPAG has been built for materials optimal design or industrial optimization. Appli-cation to chemical, petrochemical and metallurgical industries and materials optimal design gives good results.

摘要：The paradigms of chemical engineering discipline are discussed. The first paradigm of Unit Operations and the second paradigm of Transport Phenomena are well recognized among the chemical engineers all over the world, and what the next paradigm is remains still an open question. Several proposals such as chemical product engineering, Sustainable chemical engineering and Multi-scale methodology are considered as candidates for next paradigm. Might Computational chemical Engineering be the next one, which is advancing the discipline of chemical engineering toward ultimate mechanism-based understanding of chemical processes? This possibility is comparatively expounded with other proposals, and the scope and depth of computational chemical engineering are shortly listed.

摘要：As indicated by Grossmann and Westerberg[1],a process system can be generally decomposed into hierarchical levels or scales at which different physical and/or chemical phenomena take place(see Fig.1).The first step of multiscale process modeling is to connect the molecular level with the phase level,where the main task is to model and predict the properties of fluid mixtures based on the atomic-or molecular-level ***,quantum chemical(QC)computation,molecular simulation,and equations of state are used to provide such ***,due to the ever-increasing number of available data and fast development of cheminformatics and machine learning tools,data-driven descriptor models have been developed and widely used for property predictions[2].

摘要：Some new construction methods of the optimum chemical balance weighing designs and pairwise efficiency and variance balanced designs are proposed, which are based on the incidence matrices of the known symmetric balanced incomplete block designs. Also the conditions under which the constructed chemical balance weighing designs become A-optimal are also been given.

摘要：太极图是中国传统文化的瑰宝,也是中华民族审美文化的源头,受到国人的尊崇。有研究者发现,太极图与数学、物理学等自然科学有着密不可分的联系。从自然辩证法的角度看,太极图与化学也有相通之处。故太极图也出现在了某些化学类期刊论文中,用于更直观更艺术地表现化学类论文的主旨思想及化学类期刊的风采。虽然太极图起源于我国并成为我国最优秀传统文化的凝聚,但相对于国内化学期刊,国外化学类期刊似乎更加偏爱太极图,尤其在封面和图形摘要的设计方面,比如国外顶级化学类期刊chemical Society Review,尤其钟爱太极图,仅2016年出版的24期期刊,在封面和图形摘要中就出现了11次太极图的相关模型。文章着重讨论一下该刊频繁采用太极图的原因及相关设计思路,以期为国内化学期刊的出版提供借鉴。

摘要：With a growing population, an increasing number of petrochemical facilities are built with larger capacity and more complexity, which pose a great risk to assets, community and environment. The value of inherently safer design is recognized with time by all stakeholders, and an effective tool is needed to evaluate and compare inherent safety of alternative technologies. This study developed a safety index to evaluate existing technologies for their safety levels and guide inherently safer design. The Integrated Risk-based Safety Index(IRSI) was developed based on a comprehensive review of petrochemical processes, incident cases from Sinopec and US chemical Safety Board, and existing safety index systems. The IRSI included all major hazards, including fire, explosion,toxic release, dust explosion, physical explosion, and runaway. Also, the integrated life cycle approach considered chemical hazards, equipment failure rates and safety measures in this risk-based index. Advanced modeling techniques, PHAST simulation and Neural Network, were used in the development of three novel sub-indices in the projects, fire, explosion and toxic release. The index system could be easily incorporated into a user friendly tool for the ease of application. A case study of hydrogen dioxide was conducted using the IRSI, which showed its capability for evaluating the safety level of process facilities.

摘要：TiO2 pigments are typically coated with inert layers to suppress the photocatalytic activity and improve the weatherability. However, the traditional inert layers have a lower refractive index compared to TiO2, and therefore reduce the lightening power of TiO2. In the present work, a uniform, amorphous, 2.9-nm-thick TiO2 protective layer was deposited onto the surface of anatase TiO2 pigments according to pulsed chemical vapor deposition at room temperature, with Ti Cl4 as titanium precursor. Amorphous TiO2 coating layers exhibited poor photocatalytic activity, leading to a boosted weatherability. Similarly, this coating method is also effective for TiO2 coating with amorphous SiO2 and SnO2 layers. However, the lightening power of amorphous TiO2 layer is higher than those of amorphous SiO2 and SnO2 layers. According to the measurements of photoluminescence lifetime, surface photocurrent density, charge-transfer resistance, and electron spin resonance spectroscopy, it is revealed that the amorphous layer can prevent the migration of photogenerated electrons and holes onto the surface, decreasing the densities of surface electron and hole, and thereby suppress the photocatalytic activity.

摘要：A kind of erbium doped photosensitive fiber(EDPF) was proposed and fabricated,whose core was made of double layers named photosensitive layer and erbium doped *** double-layer core de-sign can overcome difficulties in fabrication of EDPF with single core design,*** conflict between the high consistency rare earth doping and high consistency germanium doping.A sample was fabri-cated through the modified chemical vapor deposition method combined with solution doping *** peak absorption coefficient was 48.80 dB/m at 1.53 μm,the background loss was lower than 0.1 dB/m,and the reflectivity of the fiber Brag gratings(FBG) written directly on the sample fiber was up to 97.3% by UV-writing ***,a C band tunable fiber laser was fabricated using the sample fiber,in which a uniform FBG was written directly on EDPFs as a reflector.A single wavelength lasing with a maximum wavelength tuning range of 1555.2―1558.0 nm was achieved *** this tuning range,the full-width at half maximum(FWHM) of the laser output was smaller than 0.015 nm and the side mode suppression ratio(SMSR) was better than 50 dB.

摘要：用于光盘印刷的Project 37(P37)UV喷墨打印机是Sun chemical与Copytrax Technologies公司密切合作的产品。P37采用特殊的UV固化油墨,能够在三秒钟内完成对光盘的印刷。现在,通过改进的软件和硬件设计,P37的打印质量和机器性能得到进一步提升。

摘要：Hybrid perovskite possesses excellent photoelectric properties,including large light-absorption capacity and high carrier mobility,and is an ideal light-absorbing material for photoelectric *** grain size and compactness of hybrid perovskite are key factors affecting the performance of photoelectric *** photocurrent and photoresponsivity of these devices are relatively low because of the rapidly recombined photoexcited electron-hole pairs in hybrid ***,we develop a facile two-step chemical vapor deposition(CVD)method to synthesize a high-quality van der Waals(vd Ws)MAPb I3/graphene heterostructure for high-performance image *** introduced inorganic sources(PbI2)to vd Ws epitaxially grown Pb I2 film on a seamless graphene monolayer film template through *** iodide(MAI)was then reintroduced to prepare the vd Ws MAPb I3/graphene *** MAPb I3 layer is composed of densely packed,large-size grains and displays a smooth *** photoresponsivity of 107A/W is achieved in the corresponding *** by the human visual system,we designed a flexible photodetector array containing(24?24)pixels,achieving perfect image recognition and color *** study may greatly facilitate the construction of high-performance optoelectronic devices in artificial retina,biomedical imaging,remote sensing,and optical communication.