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您的检索式：作者名="Yixin Geng"
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| 1 | QSPR modeling of azeotropic temperatures and compositions for binary azeotropes containing lower alcohols using a genetic function approximation显示文摘Binary azeotropes, which contain two chemicals with a relative volatility of 1, are very common in the chemical industry. Understanding azeotropes is essential for effectively separating binary azeotropes containing lower alcohols. Experimental techniques and ab initio approaches can produce accurate results;however, these two processes are time consuming and labor intensive. Although thermodynamic equations such as UNIFAC are widely used, experimental values are required, and it is difficult to choose the best groups to represent a complex system. Because of their high efficiency and fast calculation speed, quantitative structure–property relationship(QSPR) tools were used in this work to predict the azeotropic temperatures and compositions of binary azeotropes containing lower alcohols. The QSPR models for 64 binary azeotropes based on centroid approximation and weighted-contribution-factor approximation were established using the genetic function approximation(GFA) procedure in Materials Studio software, and a leave-one-out cross-validation procedure was conducted.External tests of an additional 16 azeotropes were also investigated, and high determination coefficient values were obtained. The best QSPR models were explained in terms of the molecular structure of the azeotropes,and good predictive ability was obtained within acceptable prediction error levels. | Yixin Ma Kang Ma Huixin Wang Xueli Geng Jun Gao Zhaoyou Zhu Yinglong Wang | 2019 | Chinese Journal of Chemical Engineering2019，27，4： | 6 |
| 2 | Mechanical properties,thermophysical properties and electronic structure of Yb^(3+)or Ce^(4+)-doped La_(2)Zr_(2)O_(7)-based TBCs显示文摘First-principles calculations based on density functional theory were perfo rmed to investigate the cohesive energies,elastic modulus,Debye temperatures,thermal conductivities and density of states of La_(2-x)Yb_(x)Zr_(2)O_(7),La_(2)Zr_(2-x)Ce_(x)O_(7)and La_(2-x)Yb_(x)Zr_(2-x)Ce_(x)O_(7)(x=0.00,0.25,0.50,0.75,1.00)ceramics.The results show that doping Yb~(3+)or Ce~(4+)into La_(2)Zr_(2)O_(7)reduces its elastic modulus,thermal conductivity and Debye temperature.Compared with La_(2-x)Yb_(x)Zr_(2)O_(7)(x≠0.00),La_(2)Zr_(2-x)Ce_(x)O_(7)compounds have better ductility and lower Debye te mperature.The Debye temperature values of La_(2)Zr_(2-x)Ce_(x)O_(7)(x≠0.00)co mpounds are in the range of 485.0-511.5 K.Among all components,the fluorite-type La_(2-x)Yb_(x)Zr_(2-x)Ce_(x)O_(7)(x=0.75,1.00)compounds exhibit better mechanical and thermophysical properties,and their thermal conductivity values are only 1.213-1.246 W/(m·K)(1073 K),which are 14.5%-16.7%lower than that of the pure La_(2)Zr_(2)O_(7).Thus,our findings open an entirely new avenue for TBCs. | Pengsen Zhao Haizhong Zheng Guifa Li Yongxiang Geng Yixin Xiao Hongbo Guo Ping Peng | 2023 | Journal of Rare Earths2023，41，4： | 2 |
| 3 | Has China-ASEAN Trade opening increased China’ s carbon emissions?显示文摘This study uses carbon emission data at the provincial level in China between 1998-2018 and the proportion of the total import and export trade between provinces and the Association of Southeast Asian Nations(ASEAN)in GDP to measure the level of China-ASEAN trade openness.It examines the impact of China ASEAN trade openness on carbon emissions and its transmission mechanism,and selects the RMB/USD exchange rate as an instrumental variable to address the endogeneity of China-ASEAN trade openness variables.The impact of China-ASEAN trade openness on China’s environment is estimated within a two-stage least squares framework.The results show that trade openness between China and ASEAN positively impacts China’s environment and can facilitate carbon emission reduction.The scale,structural,and technology effects brought by China-ASEAN trade liberalization jointly promote China’s carbon dioxide emission reduction.An inverted“U”relationship is found between economic growth and environmental quality in China,and some provinces and municipalities have now crossed the inflection point of the curve,in which carbon emi ssions decrease with an increase in per capita wealth. | Yanchun Yi Yixin Geng Mingxin Yang | 2023 | Chinese Journal of Population,Resources and Environment2023，21，2： | 0 |
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