分析消毒副产物中氯原子数对分子描述符 ,辛醇 /水分配系数 L og P、最低空轨道能量 L UMO、前线轨道能量 HOMO、HO-MO- L UMO(ΔE)以及偶极矩的影响 .结果表明不同种类化合物对不同分子描述符的影响是不同的 ,其中以 L og P和 L UMO对...分析消毒副产物中氯原子数对分子描述符 ,辛醇 /水分配系数 L og P、最低空轨道能量 L UMO、前线轨道能量 HOMO、HO-MO- L UMO(ΔE)以及偶极矩的影响 .结果表明不同种类化合物对不同分子描述符的影响是不同的 ,其中以 L og P和 L UMO对氯原子数的相关性较好 ,HOMO次之 ,ΔE和偶极矩最差 .展开更多
To study the temperature distribution and thermal-stress field in different service stages, a two-dimensional model of a turbine blade with thermal barrier coatings is developed, in which the conjugate heat transfer a...To study the temperature distribution and thermal-stress field in different service stages, a two-dimensional model of a turbine blade with thermal barrier coatings is developed, in which the conjugate heat transfer analysis and the decoupled thermal-stress calculation method are adopted. Based on the simulation results, it is found that a non-uniform distribution of temperature appears in different positions of the blade surface, which has directly impacted on stress field. The maximum temperature with a value of 1030 ℃ occurs at the leading edge. During the steady stage, the maximum stress of thermally grown oxide （TGO） appears in the middle of the suction side, reaching 3.75 GPa. At the end stage of cooling, the maximum compressive stress of TGO with a value of-3.5 GPa occurs at the leading edge. Thus, it can be predicted that during the steady stage the dangerous regions may locate at the suction side, while the leadine edge mav be more Drone to failure on cooling.展开更多
文摘分析消毒副产物中氯原子数对分子描述符 ,辛醇 /水分配系数 L og P、最低空轨道能量 L UMO、前线轨道能量 HOMO、HO-MO- L UMO(ΔE)以及偶极矩的影响 .结果表明不同种类化合物对不同分子描述符的影响是不同的 ,其中以 L og P和 L UMO对氯原子数的相关性较好 ,HOMO次之 ,ΔE和偶极矩最差 .
基金supported by the National Natural Science Foundation of China(Grant Nos.51172192,11272275 and 11002122)the Natural Science Foundation of Hunan Province(Grant No.11JJ4003)the Doctoral Scientific Research Foundation of Xiangtan University(Grant Nos.KZ08022,KZ03013 and KF20140303)
文摘To study the temperature distribution and thermal-stress field in different service stages, a two-dimensional model of a turbine blade with thermal barrier coatings is developed, in which the conjugate heat transfer analysis and the decoupled thermal-stress calculation method are adopted. Based on the simulation results, it is found that a non-uniform distribution of temperature appears in different positions of the blade surface, which has directly impacted on stress field. The maximum temperature with a value of 1030 ℃ occurs at the leading edge. During the steady stage, the maximum stress of thermally grown oxide （TGO） appears in the middle of the suction side, reaching 3.75 GPa. At the end stage of cooling, the maximum compressive stress of TGO with a value of-3.5 GPa occurs at the leading edge. Thus, it can be predicted that during the steady stage the dangerous regions may locate at the suction side, while the leadine edge mav be more Drone to failure on cooling.
