To investigate the effect of unsaturated aliphatic hydrocarbons on PAHs (polycyclic aromatic hydrocarbons) formation, numerical analysis using detailed reaction mechanism is performed. For the carbon black produced ...To investigate the effect of unsaturated aliphatic hydrocarbons on PAHs (polycyclic aromatic hydrocarbons) formation, numerical analysis using detailed reaction mechanism is performed. For the carbon black produced by benzene feedstock, three kinds of unsaturated aliphatic hydrocarbons (acetylene, diacetylene, and vinylacetylene) are added. The detailed reaction mechanism which is proposed by Wang and Frenklach is consisted by 527 reactions and 99 chemical species. The formations of PAHs and nuclei are promoted by unsaturated aliphatic hydrocarbons addition. There exits optimal benzene/acetylene ratio (XA/XB = 0.50), benzene/diacetylene mixture ratio (XD/XB = 0.60), benzene/vinyl-acetylene mixture ratio (XV/XB = 0.25). The formation of nuclei is most promoted by acetylene addition, and the benzene/acetylene mixture ratio is 0.50.展开更多
The design and synthesis of porous organic polymers for the potential application in chemical sensors remains a huge challenge nowadays. Herein, a porous organic polymer possessing tetrazole groups(TTZ-3) was synthe...The design and synthesis of porous organic polymers for the potential application in chemical sensors remains a huge challenge nowadays. Herein, a porous organic polymer possessing tetrazole groups(TTZ-3) was synthe-sized via simple Schiff base chemical reaction. Thermogravimetric analysis(TGA), Fourier transform infrared spec- trometer(FTIR), solid-state 13C cross polarization/magic angle spinning nuclear magnetic resonance(CP/MAS NMR), transmission electron microscopies(TEM) and field-scanning electron microscopies(FE-SEM) were adopted to cha- racterize the structure and morphology in detail. Significantly, the formed polymers exhibited special detection of unsaturated hydrocarbons through fluorescence enhancement based on photoactivatable 1,3-dipolar cycloaddition reactions. Furthermore, the reaction activity of different unsaturated hydrocarbons towards the polymers was investigated. This work highlights the great potential of porous organic polymers as chemical sensors in realizing environmental pollution monitoring and reducing the incidence of disease, such as chronic obstructive pulmonary disease.展开更多
New definition of virtual molecular-group components about CH and CH2 is proposed in the paper.The new reaction,hydrogenation of CH to CH2(HDCH),can be used to represent the change of C and H in RHT.By using the lumpi...New definition of virtual molecular-group components about CH and CH2 is proposed in the paper.The new reaction,hydrogenation of CH to CH2(HDCH),can be used to represent the change of C and H in RHT.By using the lumping approach,the kinetic models about HDCH,HDS,HDN,HDCCR,HDM,HDNi and HDV reactions were established.They are key components of the new kinetic model for RHT based on reaction sections.During the construction of kinetic model,goodness-to-fit(R^2)between test data and model data was set as the target value,and the model parameters were calculated accurately.In verification test,the predicted content of H,S,N,CCR,M,Ni and V can match well with the test data.展开更多
The complexation behavior of unsaturated fatty hydrocarbons,i.e.,1,7-octadiyne and 1,7-octadiene,by a perethylated pillar[5]arene has been investigated,which was compared with that for saturated n-octane. It was found...The complexation behavior of unsaturated fatty hydrocarbons,i.e.,1,7-octadiyne and 1,7-octadiene,by a perethylated pillar[5]arene has been investigated,which was compared with that for saturated n-octane. It was found that the host-guest binding strength increased in accordance with the electron-negativity of the terminal carbon atom on the guests:alkyne〉alkene〉alkane.展开更多
文摘To investigate the effect of unsaturated aliphatic hydrocarbons on PAHs (polycyclic aromatic hydrocarbons) formation, numerical analysis using detailed reaction mechanism is performed. For the carbon black produced by benzene feedstock, three kinds of unsaturated aliphatic hydrocarbons (acetylene, diacetylene, and vinylacetylene) are added. The detailed reaction mechanism which is proposed by Wang and Frenklach is consisted by 527 reactions and 99 chemical species. The formations of PAHs and nuclei are promoted by unsaturated aliphatic hydrocarbons addition. There exits optimal benzene/acetylene ratio (XA/XB = 0.50), benzene/diacetylene mixture ratio (XD/XB = 0.60), benzene/vinyl-acetylene mixture ratio (XV/XB = 0.25). The formation of nuclei is most promoted by acetylene addition, and the benzene/acetylene mixture ratio is 0.50.
基金Supported by the National Natural Science Foundation of China(No.21601177), the Special Project of Jilin Provincial School Construction Project, China(No.SXGJXX2017-9) and the "111" Project of China(No.B 16020).
文摘The design and synthesis of porous organic polymers for the potential application in chemical sensors remains a huge challenge nowadays. Herein, a porous organic polymer possessing tetrazole groups(TTZ-3) was synthe-sized via simple Schiff base chemical reaction. Thermogravimetric analysis(TGA), Fourier transform infrared spec- trometer(FTIR), solid-state 13C cross polarization/magic angle spinning nuclear magnetic resonance(CP/MAS NMR), transmission electron microscopies(TEM) and field-scanning electron microscopies(FE-SEM) were adopted to cha- racterize the structure and morphology in detail. Significantly, the formed polymers exhibited special detection of unsaturated hydrocarbons through fluorescence enhancement based on photoactivatable 1,3-dipolar cycloaddition reactions. Furthermore, the reaction activity of different unsaturated hydrocarbons towards the polymers was investigated. This work highlights the great potential of porous organic polymers as chemical sensors in realizing environmental pollution monitoring and reducing the incidence of disease, such as chronic obstructive pulmonary disease.
基金financially supported by the SINOPEC Research Program(Grant KL20009 and 118015-2)。
文摘New definition of virtual molecular-group components about CH and CH2 is proposed in the paper.The new reaction,hydrogenation of CH to CH2(HDCH),can be used to represent the change of C and H in RHT.By using the lumping approach,the kinetic models about HDCH,HDS,HDN,HDCCR,HDM,HDNi and HDV reactions were established.They are key components of the new kinetic model for RHT based on reaction sections.During the construction of kinetic model,goodness-to-fit(R^2)between test data and model data was set as the target value,and the model parameters were calculated accurately.In verification test,the predicted content of H,S,N,CCR,M,Ni and V can match well with the test data.
基金supported by NNSFC(Nos.21272155 and 21272147)Innovation Program of Shanghai Municipal Education Commission(No.13YZ010)
文摘The complexation behavior of unsaturated fatty hydrocarbons,i.e.,1,7-octadiyne and 1,7-octadiene,by a perethylated pillar[5]arene has been investigated,which was compared with that for saturated n-octane. It was found that the host-guest binding strength increased in accordance with the electron-negativity of the terminal carbon atom on the guests:alkyne〉alkene〉alkane.