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We describe and interpret computer simulations of the time evolution of a binary alloy on a cubic lattice, with nearest neighbor interactions favoring like pairs of atoms. Initially the atoms are arranged at random; the time evolution proceeds by random interchanges of nearest neighbor pairs, using probabilities compatible with the equilibrium Gibbs distribution at temperatureT. For temperatures 0.59Tc, 0.81 Tc, and 0.89T
c, with density of A atoms equal to that in the B-rich phase at coexistence, the density C1 of clusters ofl A atoms approximately satisfies the following empirical formulas: C1 w(1 –)3 andC
1, (1 –)4Q1w1 (2 l 10). Herew is a parameter and we defineQ
l
=
K
e
–E(K)
, where the sum goes over all translationally nonequivalentl-particle clusters andE(K) is the energy of formation of the clusterK. Forl > 10,Q
1 is not known exactly; so we use an extrapolation formulaQ
l
Aw
s
–l
l
– exp(–bl
), wherew
s is the value ofw at coexistence. The same formula (withw > w
s) also fits the observed values of C, (for small values ofl) at densities greater than the coexistence density (forT=0.59Tc): When the supersaturation is small, the simulations show apparently metastable states, a theoretical estimate of whose lifetime is compatible with the observations. For higher supersaturation the system is observed to undergo a slow process of segregation into two coexisting phases (andw therefore changes slowly with time). These results may be interpreted as a more quantitative formulation (and confirmation) of ideas used in standard nucleation theory. No evidence for a spinodal transition is found.Supported by AFOSR Grant No. 73-2430D and by ERDA Contract No. EY-76-C-02-3077*000. 相似文献
3.
The locality of underground water, contaminated with cyanides, has been successfully cleaned by using the hydraulic barrier method (assembly of pumped wells) since 1986. The average cyanide concentrations in the outflow exceeded 35 m per litre. Contamination had to be eliminated before the discharge into the sewer system. The radiation approach “in situ” i.e. decomposition of cyanides by barrier, was applied and is still being used today. The cyanide concentration was lowered more than one order of magnitude. This process was approved by the Czechoslovak radiation security authorities and further applications of “in Situ” regeneration of underground water contamination is anticipated. 相似文献
4.
Shuxing Zhang Xiaoshu Ding Helen Shang Yucong Song Yanji Wang 《Entropy (Basel, Switzerland)》2022,24(10)
Dimethyl carbonate is an important green chemical that has been widely used in the chemical industry. In the production of dimethyl carbonate, methanol oxidative carbonylation has been studied, but the conversion ratio of dimethyl carbonate using this method is too low, and the subsequent separation requires a large amount of energy due to methanol and dimethyl carbonate being azeotrope. In this paper, the strategy of “reaction instead of separation” is proposed. Based on this strategy, a novel process is developed to combine the production of DMC with that of dimethoxymethane (DMM) and dimethyl ether (DME). The co-production process was simulated using Aspen Plus software, and the product purity was up to 99.9%. The exergy analysis of the co-production process and the existing process was carried out. The exergy destruction and exergy efficiency were compared with those of the existing production processes. The results show that the exergy destruction of the co-production process is about 276% less than that of the single-production processes, and the exergy efficiencies in the developed co-production process are significantly improved. The utility loads of the co-production process are significantly lower than that of the single-production process. The developed co-production process increases the methanol conversion ratio to 95%, with a reduced energy requirement. It is proved that the developed co-production process can provide an advantageous option over the existing processes with improved energy efficiency and material savings. The strategy of “reaction instead of separation” is feasible. A new strategy is proposed for azeotrope separation. 相似文献
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《Arabian Journal of Chemistry》2022,15(6):103852
A simple and easily scalable “wet” procedure was used to prepare nanocrystalline cerium oxide capable of destroying the toxic organophosphate pesticide parathion methyl. The synthetic procedure consists of the direct precipitation of cerous salt with aqueous ammonia in the absence of CO2. The prepared cerium oxide was able to decompose the organophosphate compounds both in nonpolar (e.g., heptane) and polar aprotic (e.g., acetonitrile) solvents. However, in solvents with hydrogen-bond donating ability, the –OH groups on the cerium oxide surface were solvated and inactivated. The preferential solvation model was used to express the experimental dependencies of the cerium oxide degradation efficiency on the composition of the water-acetonitrile mixture. In certain solvent systems, some empirical polarity scales, such as the alpha-scale or the Dimrodth-Richardt parameter ET(30), may be correlated with the degradation efficiency of cerium oxide. 相似文献
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基于菲聂尔透镜的聚焦太阳能PV/T 系统热电性能研究 总被引:1,自引:0,他引:1
本文建立了基于菲涅尔透镜的聚焦型PV/T热电联产系统的一维稳态传热模型,对六种不同结构的PV/T系统的热、电效率和(火用)效率进行了计算,利用(火用)效率作为评价标准对六种系统进行了比较.分析表明采用聚焦型PV/T系统,在牺牲少量发电效率的基础上,可以获得具有一定温度的热能;增添玻璃盖板虽然能够减少热损失,但同时使得系统的光学效率降低,减少电池上的能量密度,反而使得系统的(火用)效率降低1%;环境恶劣的情况下,应将集热管外加保温腔体,透镜起到盖板和聚光器的双重作用,在不损失发电量的同时可以提高系统的热效率. 相似文献