In the preliminary stage of chemical process design, the choice of chemical reaction route is the key design decision, and the concepts of atom utilization and environmental quotient have become extremely useful tools...In the preliminary stage of chemical process design, the choice of chemical reaction route is the key design decision, and the concepts of atom utilization and environmental quotient have become extremely useful tools. However, the waste quality such as chemical toxicity and other engineering factors have not been taken into account. Therefore, a synthetic route selection index, Iroute, is proposed to determine the suitability of a chemical route in this paper. Iroute considers the effects of 'extended atom economy', material renewability, chemical characteristics and some engineering factors. The extended atom economy concept regards not only the value of the desired product but also the value of byproducts. The methodology by using Iroute to compare different routes is illustrated in case study of cyclohexanone oxime and acrylonitrile manufacture.展开更多
The energy utilization consistency method in process integration extracts the key component of process energy utilization, and simplifies the procedure of process analysis and integration. The method allows the conver...The energy utilization consistency method in process integration extracts the key component of process energy utilization, and simplifies the procedure of process analysis and integration. The method allows the conversion of the total process energy integration into a synthesis problem of a pseudo-heat exchanger network. The advantages of using the energy utilization consistency and the pseudo-temperature methods are presented by two examples of integration of large-scale complex processes. The improved genetic algorithm is proved to be an effective tool in the retrofitting procedures.展开更多
A novel bifunctional dye containing spirobenzopyran and cinnamoyl moiety has been prepared and its photochromic behavior following irradiation at different wavelengths of monochrome UV light was investigated. The colo...A novel bifunctional dye containing spirobenzopyran and cinnamoyl moiety has been prepared and its photochromic behavior following irradiation at different wavelengths of monochrome UV light was investigated. The colourless bifunctional dye in film or solution exhibits unusual photochromism through structural and geometrical transformation from spirobenzopyran to merocyanine accompanying with photocrosslinking reaction in cinnamoyl moieties. Two kinds of photochemical reaction were achieved by irradiation at the different wavelengths of monochrome UV light (275 nm, 365 nm) selectively. The photochromic process of the bifunctional dye was discussed and the dynamic behaviors of the decolorization process were investigated.展开更多
A methodology is presented to identify environmental impact minimization alternatives for reaction processes and assess their environmental performance. The potential environmental impact (PEI) scheme can be used to v...A methodology is presented to identify environmental impact minimization alternatives for reaction processes and assess their environmental performance. The potential environmental impact (PEI) scheme can be used to visibly display the transformation relationships among different types of PEI, identify the sources of environmental impacts, and propose alternatives for eliminating or minimizing the impacts. To evaluate the environmental performance of the alternatives effectively, some new indices, such as PEI input rate of non-products, PEI output rate of non-products per profit and the PEI conversion efficiency are proposed. Finally, the application of the methodology is illustrated using an industrial case study.展开更多
The application of high pressure favors many chemical processes, providing higher yields or improved rates in chemical reactions and improved solvent power in separation processes, and allowing activation barriers to ...The application of high pressure favors many chemical processes, providing higher yields or improved rates in chemical reactions and improved solvent power in separation processes, and allowing activation barriers to be overcome through the increase in molecular energy and molecular collision rates. High pressures-up to millions of bars using diamond anvil cells-can be achieved in the laboratory, and lead to many new routes for chemical synthesis and the synthesis of new materials with desirable thermody- namic, transport, and electronic properties. On the industrial scale, however, high-pressure processing is currently limited by the cost of compression and by materials limitations, so that few industrial processes are carried out at pressures above 25 MPa. An alternative approach to high-pressure processing is pro- posed here, in which very high local pressures are generated using the surface-driven interactions from a solid substrate. Recent experiments and molecular simulations show that such interactions can lead to local pressures as high as tens of thousands of bars （1 bar=1×10^5 Pa）, and even millions of bars in some cases. Since the active high-pressure processing zone is inhomogeneous, the pressure is different in dif- ferent directions. In many cases, it is the pressure in the direction parallel to the surface of the substrate （the tangential pressure） that is most greatly enhanced. This pressure is exerted on the molecules to be processed, but not on the solid substrate or the containing vessel. Current knowledge of such pressure enhancement is reviewed, and the possibility of an alternative route to high-pressure processing based on surface-driven forces is discussed. Such surface-driven high-pressure processing would have the advantage of achieving much higher pressures than are possible with traditional bulk-phase processing, since it eliminates the need for mechanical compression. Moreover, no increased pressure is exerted on the containing vessel for the process, thus eliminating concerns about materials failure.展开更多
文摘In the preliminary stage of chemical process design, the choice of chemical reaction route is the key design decision, and the concepts of atom utilization and environmental quotient have become extremely useful tools. However, the waste quality such as chemical toxicity and other engineering factors have not been taken into account. Therefore, a synthetic route selection index, Iroute, is proposed to determine the suitability of a chemical route in this paper. Iroute considers the effects of 'extended atom economy', material renewability, chemical characteristics and some engineering factors. The extended atom economy concept regards not only the value of the desired product but also the value of byproducts. The methodology by using Iroute to compare different routes is illustrated in case study of cyclohexanone oxime and acrylonitrile manufacture.
文摘The energy utilization consistency method in process integration extracts the key component of process energy utilization, and simplifies the procedure of process analysis and integration. The method allows the conversion of the total process energy integration into a synthesis problem of a pseudo-heat exchanger network. The advantages of using the energy utilization consistency and the pseudo-temperature methods are presented by two examples of integration of large-scale complex processes. The improved genetic algorithm is proved to be an effective tool in the retrofitting procedures.
文摘A novel bifunctional dye containing spirobenzopyran and cinnamoyl moiety has been prepared and its photochromic behavior following irradiation at different wavelengths of monochrome UV light was investigated. The colourless bifunctional dye in film or solution exhibits unusual photochromism through structural and geometrical transformation from spirobenzopyran to merocyanine accompanying with photocrosslinking reaction in cinnamoyl moieties. Two kinds of photochemical reaction were achieved by irradiation at the different wavelengths of monochrome UV light (275 nm, 365 nm) selectively. The photochromic process of the bifunctional dye was discussed and the dynamic behaviors of the decolorization process were investigated.
基金National Natural Science Foundation of China(No.20176045)Major State Basic Research Development Program(No.G20000263)
文摘A methodology is presented to identify environmental impact minimization alternatives for reaction processes and assess their environmental performance. The potential environmental impact (PEI) scheme can be used to visibly display the transformation relationships among different types of PEI, identify the sources of environmental impacts, and propose alternatives for eliminating or minimizing the impacts. To evaluate the environmental performance of the alternatives effectively, some new indices, such as PEI input rate of non-products, PEI output rate of non-products per profit and the PEI conversion efficiency are proposed. Finally, the application of the methodology is illustrated using an industrial case study.
基金the US National Science Foundation (CBET-1603851 and CHE-1710102) for support of this workthe National Science Center of Poland (DEC-2013/09/B/ST4/03711) for support
文摘The application of high pressure favors many chemical processes, providing higher yields or improved rates in chemical reactions and improved solvent power in separation processes, and allowing activation barriers to be overcome through the increase in molecular energy and molecular collision rates. High pressures-up to millions of bars using diamond anvil cells-can be achieved in the laboratory, and lead to many new routes for chemical synthesis and the synthesis of new materials with desirable thermody- namic, transport, and electronic properties. On the industrial scale, however, high-pressure processing is currently limited by the cost of compression and by materials limitations, so that few industrial processes are carried out at pressures above 25 MPa. An alternative approach to high-pressure processing is pro- posed here, in which very high local pressures are generated using the surface-driven interactions from a solid substrate. Recent experiments and molecular simulations show that such interactions can lead to local pressures as high as tens of thousands of bars （1 bar=1×10^5 Pa）, and even millions of bars in some cases. Since the active high-pressure processing zone is inhomogeneous, the pressure is different in dif- ferent directions. In many cases, it is the pressure in the direction parallel to the surface of the substrate （the tangential pressure） that is most greatly enhanced. This pressure is exerted on the molecules to be processed, but not on the solid substrate or the containing vessel. Current knowledge of such pressure enhancement is reviewed, and the possibility of an alternative route to high-pressure processing based on surface-driven forces is discussed. Such surface-driven high-pressure processing would have the advantage of achieving much higher pressures than are possible with traditional bulk-phase processing, since it eliminates the need for mechanical compression. Moreover, no increased pressure is exerted on the containing vessel for the process, thus eliminating concerns about materials failure.
