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1.
Felipe A. Perdomo Siti H. Khalit Claire S. Adjiman Amparo Galindo George Jackson 《American Institute of Chemical Engineers》2021,67(3):e17194
The SAFT-γ Mie group-contribution equation of state is used to represent the fluid-phase behavior of aqueous solutions of a variety of linear, branched, and cyclic amines. New group interactions are developed in order to model the mixtures of interest, including the like and unlike interactions between alkyl primary, secondary, and tertiary amine groups (NH2, NH, N), cyclic secondary and tertiary amine groups (cNH, cN), and cyclic methine-amine groups (cCHNH, cCHN) with water (H2O). The group-interaction parameters are estimated from appropriate experimental thermodynamic data for pure amines and selected mixtures. By taking advantage of the group-contribution nature of the method, one can describe the fluid-phase behavior of mixtures of molecules comprising those groups over broad ranges of temperature, pressure, and composition. A number of aqueous solutions of amines are studied including linear, branched aliphatic, and cyclic amines. Liquid–liquid equilibria (LLE) bounded by lower critical solution temperatures (LCSTs) have been reported experimentally and are reproduced here with the SAFT-γ Mie approach. The main feature of the approach is the ability not only to represent accurately the experimental data employed in the parameter estimation, but also to predict the vapor–liquid, liquid–liquid, and vapor–liquid–liquid equilibria, and LCSTs with the same set of parameters. Pure compound and binary phase diagrams of diverse types of amines and their aqueous solutions are assessed in order to demonstrate the main features of the thermodynamic and fluid-phase behavior. 相似文献
2.
The In-Sn-Ni alloys of various compositions were prepared and annealed at 160°C and 240°C. No ternary compounds were found;
however, most of the binary compounds had extensive ternary solubility. There was a continuous solid solution between the
Ni3Sn phase and Ni3In phase. The Sn-In/Ni couples, made of Sn-In alloys with various compositions, were reacted at 160°C and 240°C and formed
only one compound for all the Sn-In alloys/Ni couples reacted up to 8 h. At 240°C, Ni28In72 phase formed in the couples made with pure indium, In-10at.%Sn and In-11at.%Sn alloys, while Ni3Sn4 phase formed in the couples made of alloys with compositions varied from pure Sn to In-12at.%Sn. At 160°C, except in the
In/Ni couple, Ni3Sn4 formed by interfacial reaction. 相似文献
3.
Zden k Slanina Filip Uhlí k Ludwik Adamowicz 《Fullerenes, Nanotubes and Carbon Nanostructures》2003,11(3):219-226
C60F48 has been known to exist in two isomeric forms of D3 and S6 symmetries. However, the quantum-chemical calculations have not agreed on their stability order though a near-isoenergetic picture is otherwise always encountered. In order to clarify the situation, the entropy effects are evaluated for synthetic temperatures of about 500K. The entropy evaluations suggest that the D3 isomer should be more stable in the potential energy by 2.05-2.55 kcal/mol (to which term the ab initio data are closer than the semiempirical ones). 相似文献
4.
Kenzo Kitayama 《Journal of the American Ceramic Society》1992,75(6):1447-1451
Phase equilibria in the Ta-Co-O and Nb-Co-O systems have been studied at 1200°C at oxygen partial pressures from 10−0.68 to 10−13.50 atm for the former and from 10−0.68 to 10−13.30 atm for the latter. In both systems, M2 CoO6 and M2 Co4 O9 are stable ternary compounds under the experimental conditions, and a new phase, Nb5 Co2 O14 , has been identified. The Ta-Co-O system is simple, whereas the Nb-Co-O system is somewhat more complicated because of the extra phase. The lattice constants of the ternary compounds have been determined and compared with previous values. The standard Gibbs energies of reactions have been determined using oxygen partial pressures in equilibrium with three solid phases. 相似文献
5.
Bubble-point pressures and saturated-liquid densities of the binary R-135 (pentafuoroethane) + R- 143a ( 1, 1, 1-trifluoroethane) system have been measured for several compositions at temperatures from 280 to 330 K by means of a magnetic densimeter coupled with a variable-volume cell mounted with a metallic bellows. The experimental uncertainties of the temperature, pressure. and density measurements and the composition determination were estimated to be within ±15 mK, ±13 k Pa, ±0.2%, and ±0.1 wt%, respectively. The purities of the samples used throughout the measurements are 99.98 wt% for R-125 and 99.0 mol % for R- 143a. Based on the present data, the thermodynamic behavior of the vapor-liquid equilibria of this binary refrigerant mixture has been evaluated by using the Peng-Robinson equation for the bubble-point pressures, and the modified Hankinson-Brobst-Thomson equation for the saturated-liquid densities. This was done to identify the optimized binary interaction parameters.Paper presented at the Twelfth Symposium on Thermophysical Properties, June 19–24, 1994, Boulder, Colorado, U.S.A. 相似文献
6.
The calculations of gas solubilities in supercritical solvents require equations of state remaining accurate in the critical range, which are difficult to obtain with classical models. In this work, the Helmholtz energy of a mixture is considered as the sum of the Helmholtz energies of pure components taken at a constant packing fraction and of a residual term which may have the form of a RedlichKister, Van Laar, NRTL, UNIQUAC, or UNIFAC function. Thus it is possible to assign to a given component an equation of state whose form is different from that of the others. This model has been applied to binary systems containing supercritical carbon dioxide. The results are improved with respect to those obtained with the classical model for vapor-liquid equilibria and for volumetric properties. 相似文献
7.
Jichen Qin 《Chemical engineering science》2006,61(18):6154-6164
A model of continuous melt transesterification of bisphenol-A and diphenyl carbonate in a continuous stirred tank reactor is developed using phase equilibria assumption and the method of molecular weight moments. The model equations can be simplified into a polynomial system that has 17 equations and 17 unknowns. Solution of the polynomial system gives out almost every aspects of the continuous transesterification process. Molecular weight and polydispersity index, end group ratio of hydroxyl to phenyl carbonate, contents of molecular species, and lost diphenyl carbonate fractions are studied in different operation parameters. 相似文献
8.
René Vestergaard 《Information Processing Letters》2006,97(2):46-51
We present a Coq-formalized proof that all non-cooperative, sequential games have a Nash equilibrium point. Our proof methodology follows the style advocated by LCF-style theorem provers, i.e., it is based on inductive definitions and is computational in nature. The proof (i) uses simple computational means, only, (ii) basically is by construction, and (iii) reaches a constructively stronger conclusion than informal efforts. We believe the development is a first as far as formalized game theory goes. 相似文献
9.
The equilibrium reaction 3'(Fe, Co)O'( ss ) +1/2O2 ( g ) ⇄ (Fe, Co)3 O4 ( ss ) was studied in the temperature range 970 to 1370 K for seven different total compositions of molar ratios 0.5 < Fe/(Fe + Co) ≤ 1.0. The equilibrium pressures of oxygen were determined by using galvanic cells incorporating calcia stabilized zirconia as solid electrolyte and the Fe/Co ratios in the solid-solution phases by wavelength dispersive spectrometry microprobe analyses. The activities of 'FeO' in the cobaltowüstite phase were then derived from the experimental results obtained. 相似文献
10.
M. van der Kraan M.V. Fernandez Cid G.F. Woerlee W.J.T. Veugelers C.J. Peters G.J. Witkamp 《The Journal of Supercritical Fluids》2007,40(3):336-343
When natural fibres are dyed in supercritical carbon dioxide, the addition of a small amount of water increases coloration. For a process design it is important to know how much water has to be added to obtain a desired humidity of both textile and carbon dioxide. In this work a thermodynamic model is proposed to calculate the distribution of water over the textile phase and the supercritical phase as a function of pressure and temperature. The phase equilibrium is described with Raoult's law for non-ideal fluids. The absorbed water in the textile is a condensed phase and is modelled here as a non-ideal liquid, using the NRTL-equation. The non-ideality of the supercritical phase is described by a solubility enhancement factor, a new equation derived from statistical thermodynamics. Although the model is applied to cotton, viscose, silk and wool, it can be used for all water absorbing textiles. 相似文献