The pyrolysis mechanisms of quinoline and isoquinoline were investigated using the density functional theory of quantum chemistry,including eight reaction paths and a common tautomeric intermediate 1-indene imine.It i...The pyrolysis mechanisms of quinoline and isoquinoline were investigated using the density functional theory of quantum chemistry,including eight reaction paths and a common tautomeric intermediate 1-indene imine.It is concluded that the conformational tautomerism of the intermediate decides the pyrolysis products(C6H6,HC≡C—C≡N,C6H5C≡N and HC≡CH)to be the same,and also decides the total disappearance rates of the reactants to be the same,for both original reactants quinoline and isoquinoline during the pyrolysis reaction.The results indicate that the intramolecular hydrogen migration is an important reaction step,which often appears in the paths of the pyrolysis mechanism.The activation energies of the rate determining steps are obtained.The calculated results are in good agreement with the experimental results.展开更多
The coke plant of a steel plant corresponds to the area that transforms a blend of coal into coke for using in blast furnace and steam to power plant. The coking plant of ThyssenKrupp CSA uses the heat recovery techno...The coke plant of a steel plant corresponds to the area that transforms a blend of coal into coke for using in blast furnace and steam to power plant. The coking plant of ThyssenKrupp CSA uses the heat recovery technology with stamping charger for stamping and preparation a blend of coals for charging and coking. Stamping technology adds several benefits to the process, such as increased density, homogeneity and alignment of the coal cake charged into the oven, as well as provides better control of the coking process, improves parameters of coke quality and allows coal blending with lower coking power, thereby reducing the production cost of coke and power generation. Through the automation of stamping charger, it is possible to evaluate and calculate the stamped coal density charged and the productivity gains this system provides.展开更多
Interfacial solar-steam generation is a promising and cost-effective technology for both desalination and wastewater treatment.This process uses a photothermal evaporator to absorb sunlight and convert it into heat fo...Interfacial solar-steam generation is a promising and cost-effective technology for both desalination and wastewater treatment.This process uses a photothermal evaporator to absorb sunlight and convert it into heat for water evaporation.However solar-steam generation can be somewhat inefficient due to energy losses via conduction,convection and radiation.Thus,efficient energy management is crucial for optimizing the performance of solar-steam generation.Here,via elaborate design of the configuration of photothermal materials,as well as warm and cold evaporation surfaces,performance in solar evaporation was significantly enhanced.This was achieved via a simultaneous reduction in energy loss with a net increase in energy gain from the environment,and recycling of the latent heat released from vapor condensation,diffusive reflectance,thermal radiation and convection from the evaporation surface.Overall,by using the new strategy,an evaporation rate of 2.94 kg m^-2 h^-1,with a corresponding energy efficiency of solar-steam generation beyond theoretical limit was achieved.展开更多
Exothermic hydrogenation reaction of acetone is an important part of an IAH-CHP, and the performance of IAH-CHP is affected directly by this reaction. This paper studies the influence of space velocity, temperature, h...Exothermic hydrogenation reaction of acetone is an important part of an IAH-CHP, and the performance of IAH-CHP is affected directly by this reaction. This paper studies the influence of space velocity, temperature, hydrogen flow rate and pressure on conversion and selectivity experimentally. The byproducts are analyzed and classified into three types: hydrogenation product, cracking products and condensation products. Both the conversion and selectivity of this reaction have the same trend with the change of space velocity, temperature and hydrogen flow rate, and has the opposite trend with the change of pressure. As the space velocity increases, the conversion curve is a gradual decline parabola but the selectivity curve is close to a straight line. Hydrogen flow rate has a more obvious influence on conversion than temperature, whereas on selectivity the situation is opposite. High pressure increases the conversion of acetone to all products, but the increment of byproducts is more than that of isopropanol, so the selectivity decreases as pressure increases.展开更多
Excess heat capacities at glass transition temperature in two types of glass-forming systems of [xNaNO3(1x)KNO3]60·[Ca(NO3)2]40(0x1) and Ca(NO3)2yH2O(4y13) are studied.In the former system,with the replacement of...Excess heat capacities at glass transition temperature in two types of glass-forming systems of [xNaNO3(1x)KNO3]60·[Ca(NO3)2]40(0x1) and Ca(NO3)2yH2O(4y13) are studied.In the former system,with the replacement of K + cation with Na + cation,the excess heat capacity is around 65.1 J mol-1·K-1,while the excess increases by 38.9 J mol-1·K-1 upon one molar H2O content in latter system.A quantitative description to the excess heat capacity is built up with the thermal effects of atomic and molecular translational motion in liquids.The results might offer a further understanding to the glass transition.展开更多
This paper deals with the output improvement of heating and cooling cycle by using the work-fluid including phase change material.The experimental study is carried out by heat exchange between work-fluid and heat tran...This paper deals with the output improvement of heating and cooling cycle by using the work-fluid including phase change material.The experimental study is carried out by heat exchange between work-fluid and heat transfer surface.The work-fluid is flown to a high temperature or a low temperature heat transfer surface from the narrow path.In order to increase the amount of the heat transmission,a trace of Diethylether(boiling point 34.8 ℃),as a phase change material(PCM),is added to the work-fluid.The parameters of the experiment are additive amount of PCM,the rotational speed of the displacer piston and the temperature of heat transfer surface.It is clarified that the increasing of engine cycle output is brought by the PCM addition.The effect of PCM addition is evaluated by output ratio which is defined from the experimental cycle output data.The requirements for acquiring the increasing effect of output by adding PCM are clarified.展开更多
基金Supported by the National Basic Research Program of China (2005CB221203), the National Natural Science Foundation of China (20576087, 20776093) and the Foundation of Shanxi Province (2006011022, 2009021015).
文摘The pyrolysis mechanisms of quinoline and isoquinoline were investigated using the density functional theory of quantum chemistry,including eight reaction paths and a common tautomeric intermediate 1-indene imine.It is concluded that the conformational tautomerism of the intermediate decides the pyrolysis products(C6H6,HC≡C—C≡N,C6H5C≡N and HC≡CH)to be the same,and also decides the total disappearance rates of the reactants to be the same,for both original reactants quinoline and isoquinoline during the pyrolysis reaction.The results indicate that the intramolecular hydrogen migration is an important reaction step,which often appears in the paths of the pyrolysis mechanism.The activation energies of the rate determining steps are obtained.The calculated results are in good agreement with the experimental results.
文摘The coke plant of a steel plant corresponds to the area that transforms a blend of coal into coke for using in blast furnace and steam to power plant. The coking plant of ThyssenKrupp CSA uses the heat recovery technology with stamping charger for stamping and preparation a blend of coals for charging and coking. Stamping technology adds several benefits to the process, such as increased density, homogeneity and alignment of the coal cake charged into the oven, as well as provides better control of the coking process, improves parameters of coke quality and allows coal blending with lower coking power, thereby reducing the production cost of coke and power generation. Through the automation of stamping charger, it is possible to evaluate and calculate the stamped coal density charged and the productivity gains this system provides.
基金financial support from Australian Research Council(ARC Future Fellowship FT190100485)University of South Australia(Foundation Fellow)China Scholarship Council and Huasheng Graphite Co.,Ltd。
文摘Interfacial solar-steam generation is a promising and cost-effective technology for both desalination and wastewater treatment.This process uses a photothermal evaporator to absorb sunlight and convert it into heat for water evaporation.However solar-steam generation can be somewhat inefficient due to energy losses via conduction,convection and radiation.Thus,efficient energy management is crucial for optimizing the performance of solar-steam generation.Here,via elaborate design of the configuration of photothermal materials,as well as warm and cold evaporation surfaces,performance in solar evaporation was significantly enhanced.This was achieved via a simultaneous reduction in energy loss with a net increase in energy gain from the environment,and recycling of the latent heat released from vapor condensation,diffusive reflectance,thermal radiation and convection from the evaporation surface.Overall,by using the new strategy,an evaporation rate of 2.94 kg m^-2 h^-1,with a corresponding energy efficiency of solar-steam generation beyond theoretical limit was achieved.
基金supported by the National Natural Science Foundation of China under Grant No 51276181the National Basic Research Program of China under Grant No 2011CB710705
文摘Exothermic hydrogenation reaction of acetone is an important part of an IAH-CHP, and the performance of IAH-CHP is affected directly by this reaction. This paper studies the influence of space velocity, temperature, hydrogen flow rate and pressure on conversion and selectivity experimentally. The byproducts are analyzed and classified into three types: hydrogenation product, cracking products and condensation products. Both the conversion and selectivity of this reaction have the same trend with the change of space velocity, temperature and hydrogen flow rate, and has the opposite trend with the change of pressure. As the space velocity increases, the conversion curve is a gradual decline parabola but the selectivity curve is close to a straight line. Hydrogen flow rate has a more obvious influence on conversion than temperature, whereas on selectivity the situation is opposite. High pressure increases the conversion of acetone to all products, but the increment of byproducts is more than that of isopropanol, so the selectivity decreases as pressure increases.
基金supported by the National Natural Science Foundation of China (Grant Nos. 51071170 and 11274353)the National Basic Research Program of China (Grant Nos. 2007CB613904 and 2010CB-731603)
文摘Excess heat capacities at glass transition temperature in two types of glass-forming systems of [xNaNO3(1x)KNO3]60·[Ca(NO3)2]40(0x1) and Ca(NO3)2yH2O(4y13) are studied.In the former system,with the replacement of K + cation with Na + cation,the excess heat capacity is around 65.1 J mol-1·K-1,while the excess increases by 38.9 J mol-1·K-1 upon one molar H2O content in latter system.A quantitative description to the excess heat capacity is built up with the thermal effects of atomic and molecular translational motion in liquids.The results might offer a further understanding to the glass transition.
基金the Cooperative Research Program of IOES,Institute of Ocean Energy,Saga University.(Accept15004A)
文摘This paper deals with the output improvement of heating and cooling cycle by using the work-fluid including phase change material.The experimental study is carried out by heat exchange between work-fluid and heat transfer surface.The work-fluid is flown to a high temperature or a low temperature heat transfer surface from the narrow path.In order to increase the amount of the heat transmission,a trace of Diethylether(boiling point 34.8 ℃),as a phase change material(PCM),is added to the work-fluid.The parameters of the experiment are additive amount of PCM,the rotational speed of the displacer piston and the temperature of heat transfer surface.It is clarified that the increasing of engine cycle output is brought by the PCM addition.The effect of PCM addition is evaluated by output ratio which is defined from the experimental cycle output data.The requirements for acquiring the increasing effect of output by adding PCM are clarified.