A novel quantitative structure-property relationship （QSPR） model for estimating the solution surface tension of 92 organic compounds at 20℃ was developed based on newly introduced atom-type topological indices. Th...A novel quantitative structure-property relationship （QSPR） model for estimating the solution surface tension of 92 organic compounds at 20℃ was developed based on newly introduced atom-type topological indices. The data set contained non-polar and polar liquids, and saturated and unsaturated compounds. The regression analysis shows that excellent result is obtained with multiple linear regression. The predictive power of the proposed model was discussed using the leave-one-out （LOO） cross-validated （CV） method. The correlation coefficient （R） and the leave-one-out cross-validation correlation coefficient （Rcv） of multiple linear regression model are 0.991 4 and 0.991 3, respectively. The new model gives the average absolute relative deviation of 1.81% for 92 substances. The result demonstrates that novel topological indices based on the equilibrium electro-negativity of atom and the relative bond length are useful model parameters for QSPR analysis of compounds.展开更多
An active pipe-embedded building envelope, which is an external wall or roof with pipes embedded inside, was presented. This structure may utilize the circulating water in the pipe to transfer heat or coolth inside di...An active pipe-embedded building envelope, which is an external wall or roof with pipes embedded inside, was presented. This structure may utilize the circulating water in the pipe to transfer heat or coolth inside directly. This kind of structure is named ＂active pipe-embedded building envelope＂ due to dealing with the thermal energy actively inside the structure mass by circulating water. This structure not only deals with thermal energy before the external disturbance becomes cooling/heating load by using the circulating water, but also may use low-grade energy sources such as evaporative cooling, solar energy, and geothermal energy. In the meantime, this structure can also improve the indoor thermal comfort by tempering the internal wall surface temperature variation due to the thermal removal in the mass. This work further presents the thermal performance of this structure under a typical hot summer weather condition by comparing it with that of the conventional external wall/roof with numerical simulation. The results show that this pipe-embedded structure may reduce the external heat transfer significantly and reduce the internal wall surface temperature for improving thermal comfort. This work also presents the effects of the water temperature and the pipe spacing on the heat transfer of this structure. The internal surface heat transfer may reduce by about 2.6 W/mE when the water temperature reduces by 1℃ as far as a brick wall with pipes embedded inside is concerned. When the pipe spacing reduces by 50 mm, the internal wall surface heat flux can also reduce by about 2.3 W/m2.展开更多
基金Projects(20775010,21075011) supported by the National Natural Science Foundation of ChinaProject(2008AA05Z405) supported by the National High Technology Research and Development Program of China+2 种基金Project(09JJ3016) supported by Hunan Provincial Natural Science Foundation,ChinaProject(09C066) supported by Scientific Research Fund of Hunan Provincial Education Department,ChinaProject(2010CL01) supported by the Foundation of Hunan Provincial Key Laboratory of Materials Protection for Electric Power and Transportation,China
文摘A novel quantitative structure-property relationship （QSPR） model for estimating the solution surface tension of 92 organic compounds at 20℃ was developed based on newly introduced atom-type topological indices. The data set contained non-polar and polar liquids, and saturated and unsaturated compounds. The regression analysis shows that excellent result is obtained with multiple linear regression. The predictive power of the proposed model was discussed using the leave-one-out （LOO） cross-validated （CV） method. The correlation coefficient （R） and the leave-one-out cross-validation correlation coefficient （Rcv） of multiple linear regression model are 0.991 4 and 0.991 3, respectively. The new model gives the average absolute relative deviation of 1.81% for 92 substances. The result demonstrates that novel topological indices based on the equilibrium electro-negativity of atom and the relative bond length are useful model parameters for QSPR analysis of compounds.
基金Project(51178201) supported by the National Natural Science Foundation of China Project(2011CDB292) supported by the Natural Science Foundation of Hubei Province,China
文摘An active pipe-embedded building envelope, which is an external wall or roof with pipes embedded inside, was presented. This structure may utilize the circulating water in the pipe to transfer heat or coolth inside directly. This kind of structure is named ＂active pipe-embedded building envelope＂ due to dealing with the thermal energy actively inside the structure mass by circulating water. This structure not only deals with thermal energy before the external disturbance becomes cooling/heating load by using the circulating water, but also may use low-grade energy sources such as evaporative cooling, solar energy, and geothermal energy. In the meantime, this structure can also improve the indoor thermal comfort by tempering the internal wall surface temperature variation due to the thermal removal in the mass. This work further presents the thermal performance of this structure under a typical hot summer weather condition by comparing it with that of the conventional external wall/roof with numerical simulation. The results show that this pipe-embedded structure may reduce the external heat transfer significantly and reduce the internal wall surface temperature for improving thermal comfort. This work also presents the effects of the water temperature and the pipe spacing on the heat transfer of this structure. The internal surface heat transfer may reduce by about 2.6 W/mE when the water temperature reduces by 1℃ as far as a brick wall with pipes embedded inside is concerned. When the pipe spacing reduces by 50 mm, the internal wall surface heat flux can also reduce by about 2.3 W/m2.
