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131.
ZHU Quan LIU Jifeng FU Kexiang HAN Keli LI Xiangyuan 《科学通报(英文版)》2006,51(24):2951-2958
By introducing the concept of spring energy of permanent dipole and taking the conforma-tions of solvent molecules into account,the formulas of electrostatic solvation energy in equilibrium and nonequilibrium are derived from the explicit solvent scheme,with the spatial distribution of the discrete permanent charges and induced dipoles of the sol-vent molecules involved. The energy change of sol-ute due to the variation of wave function from the case of vacuum to that in solution is estimated by treating the solvent effect as external field in the it-eration cycles of the self-consistent field. The ex-pression for spectral shift is deduced and applied to the processes of light absorption and emission in solution. According to the new formulations,the av-eraged solvent electrostatic potential/molecular dy-namics program is modified and adopted to investi-gate the equilibrium solvation energy of water mole-cule and spectral shift of acrolein. 相似文献
132.
Crown feedback control is one part of the automatic shape control (ASC) system. On the basis of large simulation researches conducted, a linear crown feedback control model was put forward and applied in actual strip rolling. According to its successful operation in the ASP 1700 hot strip mill of Angang Group for one year and also from the statistical results of several crown measurements, it can be definitely said that this control model is highly effective and shows stable performance. The control effectiveness of different gauges of strips with the feedback control is found to increase by 10%-30% compared with that without feedback control. 相似文献
133.
The predictive calculation of comprehensive contour of work rolls in the on-line strip shape control model during hot rolling consists of two important parts of wear contour calculation and thermal contour calculation, which have a direct influence on the accuracy of shape control. A statistical wear model and a finite difference thermal contour model of work rolls were described. The comprehensive contour is the equivalence treatment of the sum of grinding, wear, and thermal contours. This comprehensive contour calculation model has been applied successfully in the real on-line strip shape control model. Its high precision has been proved through the large amounts of actual roll profile measurements and theoretical analyses. The hit rates (percent of shape index satisfying requirement) of crown and head flatness of the strips rolled, by using the shape control model, which includes the comprehensive contour calculation model, have about 16% and 10% increase respectively, compared to those of strips rolled by using manual operation. 相似文献
134.
The effect of roller shapes on strip buckling in a continuous annealing furnace was focused on. The tensile stress distribution, the transverse compressive stress, and the critical buckling stress of the strip were studied by the finite element method (FEM) when the flat roller, crown roller, single taper roller, and double taper roller were used, respectively. Simulation results show that strip buckling is most likely to occur with the crown roller, then the double taper roller, and finally the single taper roller. Also, strip buckling can not occur when the flat roller is used. Considering strip snaking, the single taper roller and double taper roller are suggested in the continuous annealing furnace. The double taper roller with a better strip snaking-prevention ability should be applied in the sections with high strip temperature, and the single taper roller with a better buckling-prevention ability should be used in the sections with low strip temperature. 相似文献
135.
A series of 7-substituted-benzylamino-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline derivatives was synthesized and evaluated for their anticonvulsant activity. The subcutaneous pentylenetetrazole test (sc-PTZ) demonstrated that the most effective compound in controlling the sc-PTZ induced seizure was 7-(3-bromine-benzylamino)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline (4j) with an ED50 of 5.0 mg/kg and the PI of 20.7, which was also safer than the reference drugs. And the maximal electroshock test (MES) demonstrated that among these derivatives, 7-(3-fluorobenzylamino) -4,5-dihydro-[1,2,4]trizolo[4,3-a]quinoline (4i), with an ED50 of 15.3 mg/kg and the PI of 7.2, was the safest in MES test. Furthermore, their neurotoxicities were measured by the rotarod neurotoxicity test, and the results showed that all derivatives possessed lower neurotoxicity. 相似文献
136.
Li-yuan Liu Hong-guang Ji Xiang-feng Lü Tao Wang Sheng Zhi Feng Pei Dao-lu Quan 《矿物冶金与材料学报》2021,28(4):513-521
Climate changes that occur as a result of global warming caused by increasing amounts of greenhouse gases(GHGs)released into the atmosphere are an alarming issue.Controlling greenhouse gas emissions is critically important for the current and future status of mining activities.The mining industry is one of the significant contributors of greenhouse gases.In essence,anthropogenic greenhouse gases are emitted directly during the actual mining and indirectly released by the energy-intensive activities associated with mining equipment,ore transport,and the processing industry.Therefore,we reviewed both direct and indirect GHG emissions to analyze how mining contributes to climate change.In addition,we showed how climate change impacts mineral production.This assessment was performed using a GHG inventory model for the gases released from mines undergoing different product life cycles.We also elucidate the key issues and various research outcomes to demonstrate how the mining industry and policymakers can mitigate GHG emission from the mining sector.The review concludes with an overview of GHG release reduction and mitigation strategies. 相似文献