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151.
Simulation of nitrogen dynamics and biomass production in winter wheat using the Danish simulation model DAISY 总被引:14,自引:0,他引:14
S. Hansen H. E. Jensen N. E. Nielsen H. Svendsen 《Nutrient Cycling in Agroecosystems》1991,27(2-3):245-259
A dynamic simulation model for the soil plant system is described. The model includes a number of main modules, viz., a hydrological model including a submodel for soil water dynamics, a soil temperature model, a soil nitrogen model including a submodel for soil organic matter dynamics, and a crop model including a submodel for nitrogen uptake. The soil part of the model has a one-dimensional vertical structure. The soil profile is divided into layers on the basis of physical and chemical soil characteristics. The simulation model was used to simulate soil nitrogen dynamics and biomass production in winter wheat grown at two locations at various levels of nitrogen fertilization. The simulated results were compared to experimental data including concentration of inorganic nitrogen in soil, crop yield, and nitrogen accumulated in the aboveground part of the crop. Based on this validation it is concluded that the overall performance of the model is satisfactory although some minor adjustments of the model may prove to be necessary. 相似文献
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采用非平衡级METSH方程组,对丙烯精馏过程进行了模拟计算和优化,提出了一种全新的、实用的塔板组成的圆整归一方法,摸索出了一套行之有效的计算程式,大大提高了模型方程组迭代计算的收敛性,求解更加稳定。本文还以精馏塔利润为目标,建立了优化目标函数,进行了优化计算,计算结果对丙烯塔生产具有一定意义。 相似文献
155.
Jozsef M. Berty Sunggyu Lee Ferenc Szeifert Jean B. Cropley 《Chemical Engineering Communications》1989,76(1):9-33
Testing kinetic models against a “true” and detailed kinetic expression was the aim of the Workshop on Kinetic Model Development at the Denver AIChE Meeting in August, 1983. For this purpose an artificial reaction mechanism was created, based on the known thermodynamics of the methanol synthesis as a framework. The kinetic rate laws, that were derived from this mechanism, were made thermodynamically consistent by achieving agreement between equilibrium constants calculated at various temperatures from the given, real original thermodynamic relationship and those calculated from the detailed reversible kinetic expressions.
Using the artificial kinetics as the "true" one, CSTR experiments were simulated. The results of a statistically designed set of experiments were published after 5% random error was added to the data. Participation was invited for all interested to correlate the data, develop kinetic models and to calculate the performance of the specified reactor.
The results of 19 submitted entries are summarized with the conclusion that the models had more differences than were expected, but their predictive values were not as different as was anticipated, if the extreme high production rates due to thermal runaways are not considered. This in turn points out the necessity to check models experimentally, in pilot plant, not only for predicted optimum, but also for calculated runaway conditions. Models which did not capture the true character of this reaction failed to predict the onset of runaway reactions. 相似文献
Using the artificial kinetics as the "true" one, CSTR experiments were simulated. The results of a statistically designed set of experiments were published after 5% random error was added to the data. Participation was invited for all interested to correlate the data, develop kinetic models and to calculate the performance of the specified reactor.
The results of 19 submitted entries are summarized with the conclusion that the models had more differences than were expected, but their predictive values were not as different as was anticipated, if the extreme high production rates due to thermal runaways are not considered. This in turn points out the necessity to check models experimentally, in pilot plant, not only for predicted optimum, but also for calculated runaway conditions. Models which did not capture the true character of this reaction failed to predict the onset of runaway reactions. 相似文献
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Mitra Dadvar 《Chemical engineering science》2007,62(5):1466-1476
The question of whether effective diffusivities in porous materials under reactive and nonreactive conditions are equal is addressed. Previous studies had considered the problem with first-order reactions. We study the issue with two nonlinear reactions—a second-order reaction and one governed by the Michaelis-Menten kinetics. Pore network and continuum models of porous media are utilized to estimate the effective diffusivities under reactive and nonreactive conditions. We show that the two effective diffusivities are significantly different. The difference is due to the heterogeneities of the porous material, and the fluctuations that they cause in the spatially varying local concentrations and diffusivities, and can be as large as a few orders of magnitude. Theoretical analysis of diffusion and reactions in porous media is also presented that supports the results of the simulations. In particular, it is shown that the results of pore network simulations cannot be fitted to the classical continuum equation of diffusion and reaction, and that a more complex continuum equation should be used for this purpose. 相似文献
159.
A three-dimensional simulation model for colloidal dispersion system with an adsorptive surface under a specified bulk concentration was developed basing on the Brownian dynamics technique, and the adsorption process of electrostatically stabilized colloidal particles with radius of 50 nm onto a planar surface with counter charge was simulated. The particle-particle and particle-surface interactions were modeled on the DLVO theory. The adsorbed particles are found to form hexagonally ordered array, only if the surface coverage is above a certain threshold, which varies depending on the ionic strength or the interaction potentials. Through the analysis of the ordered structure, we found that the determinant factor for the order formation is “one-directional average force” acting between adsorbed particles, which exhibits a common value regardless of the ionic strength. Also, looking at the last process for establishing the order, we developed a model that can predict the potential barrier for the order formation. Further, the order formation was proven to be a stochastic phenomenon, and a model to describe the probability against time was developed and its quantitative validity was demonstrated. 相似文献
160.