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：Extensive use of carbon based fuel is the main inducement for global warming and more extreme *** carbon dioxide emission and enhancing energy use is a common subject in steel *** the integrated steel plant,decreasing carbon dioxide emission must consider energy balance in the whole iron and steel works,and secondary energy must be actively *** promising blast-furnaces,top gas recovery blast furnace(TGR-BF) and oxygen blast furnace have been *** this paper,conceptual TGR blast furnace and oxygen blast furnace are *** on the idea of blast furnace gas de-CO2 circulating as reducing agent and the idea of pure oxygen blast decreasing the thermal reserve zone temperature,process modeling is conducted with ASPEN *** is shown that the developed model reasonably describes the energy balance and mass balance feature of the furnace,and provides basic thermodynamic condition for *** effects of changes in different operation conditions are studied by sensitivity analysis and reference data from simulation.

摘要：This paper mainly discusses the multiscale computation from a chemical engineering *** the application designer's perspective,we propose a new approach to investigate and develop both flexible and efficient computer architectures. Based on the requirements of applications within one category,we first induce and extract some inherent computing patterns or core computing kernels from the *** computing models and innovative computing architectures will then be developed for these patterns or kernels,as well as the software mapping techniques. Finally those applications which can share and utilize those computing patterns or kernels can be executed very efficiently on those novel computing architectures. We think that the proposed approach may not be achievable within the existing technology. However,we believe that it will be available in the near future. Hence,we will describe this approach from the following four aspects:multiscale environment in the world,mesoscale as a key scale,energy minimization multiscale(EMMS)paradigm and our perspective.

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 a major configuration of membrane elements,multi-channel porous inorganic membrane tubes were studied by means of theoretical analysis and *** optimization of a cylindrical 37-channel porous inorganic membrane tube was studied by increasing membrane filtration area and increasing permeation efficiency of inner *** optimal ratio of the channel diameter to the inter-channel distance was proposed so as to increase the total membrane filtration area of the membrane *** three-dimensional computational fluid dynamics(CFD) simulation was conducted to study the cross-flow permeation flow of pure water in the 37-channel ceramic membrane tube.A model combining Navier–Stokes equation with Darcy's law and the porous jump boundary conditions was *** relationship between permeation efficiency and channel locations,and the method for increasing the permeation efficiency of inner channels were *** novel multichannel membrane configurations with more permeate side channels were put forward and evaluated.

摘要：The heat exchanger network(HEN) synthesis problem based on entransy theory is analyzed. According to the characteristics of entransy representation of thermal potential energy, the entransy dissipation represents the irreversibility of the heat transfer process, the temperature difference determines the entransy dissipation, and four HEN design steps based on entransy theory are put forward. The present study shows how it is possible to set energy targets based on entransy and achieve them with a network of heat exchangers by an example of heat exchanger network design for four streams. In order to verify the correctness of the heat exchanger networks design method based on entransy theory, the synthesis of the HEN for the diesel hydrogenation unit is studied. Using the heat exchange networks design method based on entransy theory, the HEN obtained is consistent with energy targets. The entransy transfer efficiency of HEN based on entransy theory is 92.29%, higher than the entransy transfer efficiency of the maximum heat recovery network based on pinch technology.

摘要：Guide vane cascade of a low speed number Francis turbine is developed for the experimental investigations. The test setup is able to produce similar velocity distributions at the runner inlet as that of a reference prototype turbine. Standard analytical methods are used to design the reference turbine. Periodic walls of flow channel between guide vanes are identified as the starting profile for the boundary of the cascade. Two alternative designs with three guide vanes and two guide vanes, without runner, are studied. A new approach, for the hydraulic design and optimization of the cascade test setup layout, is proposed and investigated in details. CFD based optimization methods are used to define the final layout of the test setup. The optimum design is developed as a test setup and experimental validation is done with PIV methods. The optimized design of cascade with one guide vane between two flow channels is found to produce similar flow conditions to that in the runner inlet of a low speed number Francis turbine.

摘要：The design and synthesis of highly active non-noble metal oxide catalysts, such as transition- and rare-earth-metal oxides, have attracted significant attention because of their high efficiency and low cost and the resultant potential applications for the degradation of volatile organic compounds(VOCs). The structure-activity relationships have been well-studied and used to facilitate design of the structure and composition of highly active catalysts. Recently, non-noble metal oxides with porous structures have been used as catalysts for deep oxidation of VOCs, such as aromatic hydrocarbons, aliphatic compounds, aldehydes, and alcohols, with comparable activities to their noble metal counterparts. This review summarizes the growing literature regarding the use of porous metal oxides for the catalytic removal of VOCs, with emphasis on design of the composition and structure and typical synthetic technologies.

摘要：The dissolution behaviors of Ta2O5,Nb2O5 and their mixture in KOH and H2O system were investigated.A L9(34) orthogonal design was used to study the effects of reaction temperature,mass ratio of KOH to Ta2O5,and reaction time on the dissolution rate of *** was found that the effect of reaction temperature on the dissolution rate of tantalum was much greater than that of the other *** results of factorial experiments showed that Ta2O5 was mainly transformed into insoluble potassium tantalate at low temperature(350 ℃) and transformed into soluble potassium tantalate at high temperature(450 ℃).The insoluble potassium tantalate was analyzed by XRD,which was proved to be ***,almost all Nb2O5 was transformed into soluble potassium niobate at 350-450℃.As for the mixture of Ta2O5 and Nb2O5,the dissolution rate of tantalum increased and the dissolution rate of niobium decreased as an interaction existed between niobium and *** increasing the mole ratio of Nb2O5 to Ta2O5 in the mixture was beneficial to the dissolution of both Ta2O5 and *** addition,the mechanism of the interaction between niobium and tantalum was also investigated through phase and chemical analysis.

摘要：Numerical simulations of electrostatic precipitators featuring wire and spiked electrode designs were performed to determine particle behavior and separation efficiency. The applied-voltage mechanism that alters the flow structure of particles through ionic winds and mean electric fields are revealed. Numeri- cal studies throughout the past years have shown these structures for channel and pipe configurations. However, less attention was given to field averaging for the ni,~r-product and electric field. Our study focuses on this averaging and illustrates relevant differences between multidimensional setups concern- ~ng these fields. Turbulence was modeled using the Reynolds-averaged Navier-Stokes equations with a second-order Reynolds-stress-model closure. A high three-dimensionality of the ionic wind-induced turbulence is presented. This leads to an increase in the submicron-particle precipitation rate. The results confirm the dependence of separation efficiency on particle density and permittivity, thereby showing the advantages of spiked wires compared with wire-plate setups used in electrostatic precipitators.