The catalytic effect of FeCoNiCrMo high entropy alloy nanosheets on the hydrogen storage performance of magnesium hydride(MgH_(2))was investigated for the first time in this paper.Experimental results demonstrated tha...The catalytic effect of FeCoNiCrMo high entropy alloy nanosheets on the hydrogen storage performance of magnesium hydride(MgH_(2))was investigated for the first time in this paper.Experimental results demonstrated that 9wt%FeCoNiCrMo doped MgH_(2)started to dehydrogenate at 200℃and discharged up to 5.89wt%hydrogen within 60 min at 325℃.The fully dehydrogenated composite could absorb3.23wt%hydrogen in 50 min at a temperature as low as 100℃.The calculated de/hydrogenation activation energy values decreased by44.21%/55.22%compared with MgH_(2),respectively.Moreover,the composite’s hydrogen capacity dropped only 0.28wt%after 20 cycles,demonstrating remarkable cycling stability.The microstructure analysis verified that the five elements,Fe,Co,Ni,Cr,and Mo,remained stable in the form of high entropy alloy during the cycling process,and synergistically serving as a catalytic union to boost the de/hydrogenation reactions of MgH_(2).Besides,the FeCoNiCrMo nanosheets had close contact with MgH_(2),providing numerous non-homogeneous activation sites and diffusion channels for the rapid transfer of hydrogen,thus obtaining a superior catalytic effect.展开更多
Eighteen models based on two equations of state(EoS),three viscosity models,and four mixing rules were constructed to predict the viscosities of natural gases at high temperature and high pressure(HTHP)conditions.For ...Eighteen models based on two equations of state(EoS),three viscosity models,and four mixing rules were constructed to predict the viscosities of natural gases at high temperature and high pressure(HTHP)conditions.For pure substances,the parameters of free volume(FV)and entropy scaling(ES)models were found to scale with molecular weight,which indicates that the ordered behavior of parameters of Peng-Robinson(PR)and Perturbed-Chain Statistical Associating Fluid Theory(PC-SAFT)propagates to the behavior of parameters of viscosity model.Predicting the viscosities of natural gases showed that the FV and ES models respectively combined with MIX4 and MIX2 mixing rules produced the best accuracy.Moreover,the FV models were more accurate for predicting the viscosities of natural gases than ES models at HTHP conditions,while the ES models were superior to PRFT models.The average absolute relative deviations of the best accurate three models,i.e.,PC-SAFT-FV-MIX4,tPR-FVMIX4,and PC-SAFT-ES-MIX2,were 5.66%,6.27%,and 6.50%,respectively,which was available for industrial production.Compared with the existing industrial models(corresponding states theory and LBC),the proposed three models were more accurate for modeling the viscosity of natural gas,including gas condensate.展开更多
Considering the instability of the output power of photovoltaic(PV)generation system,to improve the power regulation ability of PV power during grid-connected operation,based on the quantitative analysis of meteorolog...Considering the instability of the output power of photovoltaic(PV)generation system,to improve the power regulation ability of PV power during grid-connected operation,based on the quantitative analysis of meteorological conditions,a short-term prediction method of PV power based on LMD-EE-ESN with iterative error correction was proposed.Firstly,through the fuzzy clustering processing of meteorological conditions,taking the power curves of PV power generation in sunny,rainy or snowy,cloudy,and changeable weather as the reference,the local mean decomposition(LMD)was carried out respectively,and their energy entropy(EE)was taken as the meteorological characteristics.Then,the historical generation power series was decomposed by LMD algorithm,and the hierarchical prediction of the power curve was realized by echo state network(ESN)prediction algorithm combined with meteorological characteristics.Finally,the iterative error theory was applied to the correction of power prediction results.The analysis of the historical data in the PV power generation system shows that this method avoids the influence of meteorological conditions in the short-term prediction of PV output power,and improves the accuracy of power prediction on the condition of hierarchical prediction and iterative error correction.展开更多
Graph theory plays a significant role in the applications of chemistry,pharmacy,communication,maps,and aeronautical fields.The molecules of chemical compounds are modelled as a graph to study the properties of the com...Graph theory plays a significant role in the applications of chemistry,pharmacy,communication,maps,and aeronautical fields.The molecules of chemical compounds are modelled as a graph to study the properties of the compounds.The geometric structure of the compound relates to a few physical properties such as boiling point,enthalpy,π-electron energy,andmolecular weight.The article aims to determine the practical application of graph theory by solving one of the interdisciplinary problems describing the structures of benzenoid hydrocarbons and graphenylene.The topological index is an invariant of a molecular graph associated with the chemical structure,which shows the correlation of chemical structures using many physical,chemical properties and biological activities.This study aims to introduce some novel degree-based entropy descriptors such as ENTSO,ENTGH,ENTHG,ENTSS,ENTNSO,ENTNReZ1,ENTNReZ2 and ENTNSS using the respective topological indices.Also,the above-mentioned entropy measures and physico-chemical properties of benzenoid hydrocarbons are fitted using linear regression models and calculated for graphenylene structure.展开更多
基金National Natural Science Foundation of China(No.51801078)。
文摘The catalytic effect of FeCoNiCrMo high entropy alloy nanosheets on the hydrogen storage performance of magnesium hydride(MgH_(2))was investigated for the first time in this paper.Experimental results demonstrated that 9wt%FeCoNiCrMo doped MgH_(2)started to dehydrogenate at 200℃and discharged up to 5.89wt%hydrogen within 60 min at 325℃.The fully dehydrogenated composite could absorb3.23wt%hydrogen in 50 min at a temperature as low as 100℃.The calculated de/hydrogenation activation energy values decreased by44.21%/55.22%compared with MgH_(2),respectively.Moreover,the composite’s hydrogen capacity dropped only 0.28wt%after 20 cycles,demonstrating remarkable cycling stability.The microstructure analysis verified that the five elements,Fe,Co,Ni,Cr,and Mo,remained stable in the form of high entropy alloy during the cycling process,and synergistically serving as a catalytic union to boost the de/hydrogenation reactions of MgH_(2).Besides,the FeCoNiCrMo nanosheets had close contact with MgH_(2),providing numerous non-homogeneous activation sites and diffusion channels for the rapid transfer of hydrogen,thus obtaining a superior catalytic effect.
基金supported by the China Scholarship Council(No.202209225014)National Science Fund for Excellent Young Scholars(Grant No.52222402)+8 种基金National Natural Science Foundation of China(Grant No.52234003)National Natural Science Foundation of China(Grant No.52074235)National Science and Technology Major Project of China during the 13th Five-Year Plan Period(2016ZX05062)Sichuan Science and Technology Program(Grant No.2021YJ0345)National Natural Science Foundation of China(Grant No.51874251,51774243,52174036,and 51704247)Sichuan Science and Technology Program(NO.2022JDJQ0009)shale gas industry development Institute of Sichuan province,International S&T Cooperation Program of Sichuan Province(Grant No.2019YFH0169)the Deep Marine shale gas efficient development Overseas Expertise Introduction Center for Discipline Innovation(111 Center)Science and Technology Cooperation Project of the CNPC-SWPU Innovation Alliance(No.2020CX020202,2020CX030202).
文摘Eighteen models based on two equations of state(EoS),three viscosity models,and four mixing rules were constructed to predict the viscosities of natural gases at high temperature and high pressure(HTHP)conditions.For pure substances,the parameters of free volume(FV)and entropy scaling(ES)models were found to scale with molecular weight,which indicates that the ordered behavior of parameters of Peng-Robinson(PR)and Perturbed-Chain Statistical Associating Fluid Theory(PC-SAFT)propagates to the behavior of parameters of viscosity model.Predicting the viscosities of natural gases showed that the FV and ES models respectively combined with MIX4 and MIX2 mixing rules produced the best accuracy.Moreover,the FV models were more accurate for predicting the viscosities of natural gases than ES models at HTHP conditions,while the ES models were superior to PRFT models.The average absolute relative deviations of the best accurate three models,i.e.,PC-SAFT-FV-MIX4,tPR-FVMIX4,and PC-SAFT-ES-MIX2,were 5.66%,6.27%,and 6.50%,respectively,which was available for industrial production.Compared with the existing industrial models(corresponding states theory and LBC),the proposed three models were more accurate for modeling the viscosity of natural gas,including gas condensate.
基金supported by National Natural Science Foundation of China(No.516667017).
文摘Considering the instability of the output power of photovoltaic(PV)generation system,to improve the power regulation ability of PV power during grid-connected operation,based on the quantitative analysis of meteorological conditions,a short-term prediction method of PV power based on LMD-EE-ESN with iterative error correction was proposed.Firstly,through the fuzzy clustering processing of meteorological conditions,taking the power curves of PV power generation in sunny,rainy or snowy,cloudy,and changeable weather as the reference,the local mean decomposition(LMD)was carried out respectively,and their energy entropy(EE)was taken as the meteorological characteristics.Then,the historical generation power series was decomposed by LMD algorithm,and the hierarchical prediction of the power curve was realized by echo state network(ESN)prediction algorithm combined with meteorological characteristics.Finally,the iterative error theory was applied to the correction of power prediction results.The analysis of the historical data in the PV power generation system shows that this method avoids the influence of meteorological conditions in the short-term prediction of PV output power,and improves the accuracy of power prediction on the condition of hierarchical prediction and iterative error correction.
文摘Graph theory plays a significant role in the applications of chemistry,pharmacy,communication,maps,and aeronautical fields.The molecules of chemical compounds are modelled as a graph to study the properties of the compounds.The geometric structure of the compound relates to a few physical properties such as boiling point,enthalpy,π-electron energy,andmolecular weight.The article aims to determine the practical application of graph theory by solving one of the interdisciplinary problems describing the structures of benzenoid hydrocarbons and graphenylene.The topological index is an invariant of a molecular graph associated with the chemical structure,which shows the correlation of chemical structures using many physical,chemical properties and biological activities.This study aims to introduce some novel degree-based entropy descriptors such as ENTSO,ENTGH,ENTHG,ENTSS,ENTNSO,ENTNReZ1,ENTNReZ2 and ENTNSS using the respective topological indices.Also,the above-mentioned entropy measures and physico-chemical properties of benzenoid hydrocarbons are fitted using linear regression models and calculated for graphenylene structure.