After comparing the operating status of other catalytic reforming units and evaluation of the side-cut stream tests, the refinery investigated the influence of the feedstock property, clay types, and operating regime ...After comparing the operating status of other catalytic reforming units and evaluation of the side-cut stream tests, the refinery investigated the influence of the feedstock property, clay types, and operating regime of the clay tower and catalytic reforming unit on the service life of the clay. Test results had revealed that the low potential aromatic content of the reformer feed and high operating severity were the critical causes leading to high bromine number of the C8^＋ aromatics feed for the PX unit and the shortened service life of clay. This article also puts forward the corresponding remedial measures.展开更多
With the B3LYP calculation method of density functional theory（DFT）and the 6-31G＊ basis set,full optimization calculation was made for phenoxathiin10-oxide（PTO）and 135 polybromine phenoxathiin 10-oxides（PBPTOs）...With the B3LYP calculation method of density functional theory（DFT）and the 6-31G＊ basis set,full optimization calculation was made for phenoxathiin10-oxide（PTO）and 135 polybromine phenoxathiin 10-oxides（PBPTOs）with the Gaussian 03 program and molar heat capacity in constant volume（CVθ）value of each molecule in the standard state was obtained.The relation between CVθ and the substitution position and number of bromine atom（NPBS）was studied,and the results indicated good correlation（R2 = 1.000）between CVθ and NPBS of PBPTO compounds.Based on the output file of Gaussian 03 program,molar heat capacity at constant pressure（Cp,m）of PBPTO compounds from 200 to 1,000 K was calculated with the statistical thermodynamics program,and the correlation equation between Cp,m and temperature（T,T-1 and T-2）was obtained with the least-squares method,and the correlation coefficient of the correlation equation（R2）was 1.000.In addition,based on the partition function of each molecule calculated by vibration analysis,the relative rate constant of formation of each molecule was calculated.展开更多
文摘After comparing the operating status of other catalytic reforming units and evaluation of the side-cut stream tests, the refinery investigated the influence of the feedstock property, clay types, and operating regime of the clay tower and catalytic reforming unit on the service life of the clay. Test results had revealed that the low potential aromatic content of the reformer feed and high operating severity were the critical causes leading to high bromine number of the C8^＋ aromatics feed for the PX unit and the shortened service life of clay. This article also puts forward the corresponding remedial measures.
基金supported by the National Natural Science Foundation of China (41071319,20977046 and 20737001)
文摘With the B3LYP calculation method of density functional theory（DFT）and the 6-31G＊ basis set,full optimization calculation was made for phenoxathiin10-oxide（PTO）and 135 polybromine phenoxathiin 10-oxides（PBPTOs）with the Gaussian 03 program and molar heat capacity in constant volume（CVθ）value of each molecule in the standard state was obtained.The relation between CVθ and the substitution position and number of bromine atom（NPBS）was studied,and the results indicated good correlation（R2 = 1.000）between CVθ and NPBS of PBPTO compounds.Based on the output file of Gaussian 03 program,molar heat capacity at constant pressure（Cp,m）of PBPTO compounds from 200 to 1,000 K was calculated with the statistical thermodynamics program,and the correlation equation between Cp,m and temperature（T,T-1 and T-2）was obtained with the least-squares method,and the correlation coefficient of the correlation equation（R2）was 1.000.In addition,based on the partition function of each molecule calculated by vibration analysis,the relative rate constant of formation of each molecule was calculated.
