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排序方式: 共有562条查询结果,搜索用时 31 毫秒
141.
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《环境科学学报(英文版)》2023,35(4):423-433
Decomposition of the polycation Al13O4(OH)24(H2O)127+ (Al13) promoted by ligand is a vital subject to advance our understanding of natural and artificial occurrence and evolution of aluminum ions, especially in the case of acidic condition that dissolved Al3+ species can be released from the Al-bearing substances. However, the microscopic pathway of synchronous proton-promoted and ligand-promoted decomposition process for Al13 is still in the status of ambiguity. Herein, we applied differential mass spectrometry method and DFT calculation to study the initial detailed process of Al13 decomposition under the presence of proton and salicylic acid (H2Sal). Mass results showed that the mononuclear Al3+-H2Sal complexes dominated the resulting Al species, whereas the monodentate complex Al13HSal6+ was not observed in the spectra. The difference of decomposition levels between the ligand/Al ratio 0.2 and 0.5 cases revealed that proton and ligand performed synergistic effect in initial Al13 decomposition process, and the proton transfer determined the ring closure efficiency. The ring closure reaction is the prerequisite for the collapse of Al13 structure and detachment of the mononuclear complex. DFT calculations reveal that hydrogen bond plays an important role in inducing the formation of chelated complex accompanying proton transfer. Attachment of protons at the bridging OH− can elongate and weaken the critical bond between targeted Al3+ and µ4-O2- resulting from delocalization of electron pairs in the oxygen atom. These results demonstrate the detailed mechanism of Al13 composition promoted by ligand and proton, and provide significant understanding for further application and control of Al13. 相似文献
143.
针对“京大二试算法”存在的不足——当已知矿井总风量时,“京大二试算法”的迭代格式是错误的,解算出的风量分配不合理,提出了矿井通风网络线性算法的数学模型.该通风网络算法是将支路特性方程变换为线性关系,则风网回路方程被线性化,就可以应用线性逼近法求解.该算法弥补了“京大二试算法”的缺陷,当已知矿井总风量时,解算出的风量值更接近真值,结果更加精确.介绍了线性算法数学模型的迭代格式及迭代精度问题,并编制了该线性算法的Matlab程序,程序简单,节省计算时间,给出了算法原理,并以实例进行计算,得到了令人满意的结果. 相似文献
144.
采用以单箱模型法为基础的A值法对西安市大气容量进行估算,并将干沉降、湿沉降和化学转化三个消除过程引入模型测算中,借鉴国内外对于大气常规污染物的清除系数的科学研究成果,对研究区域的SO2、NO2、PM10及PM2.5等4项常规污染物的环境容量进行估算。结果表明,执行2012年新的环境质量标准下,西安市SO2、NO2、PM10及PM2.5大气环境容量分别为13.86×104吨/年,9.24×104吨/年、1.62×105吨/年及8.09×104吨/年。 相似文献
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Sun JM Zhu WT Huang JC 《Environmental science and pollution research international》2006,13(6):379-385
BACKGROUND, AIMS AND SCOPE: Hexavalent chromium [Cr(VI)] cannot react with either carbonate or hydroxide to form chromium precipitates. However, by using a precipitation technology to treat plating wastewater containing Cr(VI), Cu(II), Ni(II) and Zn(II), approximately 78% of Cr(VI) (initial 60 mg/L) was co-removed with the precipitation of Cu(II), Ni(II) and Zn(II) (each 150 mg/L) by dosing with Na2CO3 (Sun 2003). Direct precipitation by forming Cu(II)-Cr(VI) precipitates followed by adsorption of Cr(VI) onto freshly formed Cu-precipitates was subsequently found to be the main mechanism(s) involved in Cr(VI) co-removal with Cu(II) precipitation by dosing Na2CO3 stepwise to various pH values (Sun et al. 2003). This study was. carried out to further characterize the formation of primary precipitates during the early stages of copper precipitation and simultaneous removal of Cr(VI) with Cu(II). METHODS: Test metal-solutions were prepared with industrial grade chemicals: CuCl2 x 2H2O, Na2SO4 and K2Cr2207. NaCO3 was added drop-wise to synthetic metal-solution to progressively increase pH. For each pH increment, removal of soluble metals was detected by atomic absorption spectrophotometer (AAS) and surface morphology of precipitates was analyzed by scanning electron microscope (SEM). To further characterize the formation of primary precipitates, a series of MINEQL+ thermodynamic calculations/analyses and equilibrium calculations/ analyses were conducted. RESULTS AND DISCUSSION: MINEQL+ thermodynamic calculation indicated that, for a system containing 150 mg/L Cu(II) and 60 mg/L Cr(VI) with gradual Na2CO3 dosing, if any precipitates can be formed at pH 5.0 or lower, it should be in the form of CuCrO4. Comparison tests using systems containing the same equivalent of Cu(II) plus Cr(VI) and Cu(II) plus SO4(2-) showed that the precipitation occurred at a pH of around 5.0 in the Cu(II)-Cr(VI) system and around 6.0 in the Cu(II)-SO4(2-) system. The discrepancy of the precipitation was indeed caused by the formation of Cu-Cr precipitates. The initiation of copper removal at pH around 5.0 for the Cu-Cr co-removal test was not attributable to the formation of Cu-CO3 precipitates, instead, it was most likely through the formation of insoluble Cu-Cr precipitates, such as CuCrO4 and CuCrO4 x 2Cu(OH)2. Experimental tests, equilibrium calculations, MINEQL+ thermodynamic calculations and surface morphologies for systems using higher concentrations of Cu(II) and Cr(VI) further verified the most probable composition of primary precipitates is copper-chromate. CONCLUSION: In the Cu-Cr co-removal test with Na2O3 dosing to increase pH and induce metal precipitation, copper-chromate precipitates are the primary precipitates produced and contribute to the initial simultaneous removal of copper and chromium. 相似文献
148.
利用美国石油协会(API)小呼吸损耗核算新公式对国内某油田4个联合站的采出液沉降罐进行了小呼吸损耗核算,并与实测数据进行了对比分析。分析结果表明,API的核算值与实测值的差别较大,相对误差可达90%以上,原因是国内油田采出液沉降罐的现场工况与API公式的模拟条件差别较大。在数据分析的基础上引入平均液体表面温度和平均气体流速两个影响因子对上述公式进行了修正,并利用修正后的公式对另外两个联合站的沉降罐进行了小呼吸损耗核算,核算结果的相对误差降至10%以下。 相似文献
149.
CODcr快速测试法的探索 总被引:1,自引:0,他引:1
本文探索了CODcr的快速测试法,结果表明,采用简易的火焰加热消化法测定CODcr是可行的。该法所用的仪器设备简单;操作方便,快速,回收率高,特别适用于现场及简易实验室。 相似文献
150.
对GM(1,1)模型经差分形式化及令定写成直线方程形式。据最小二乘法原理,原方程的参数辨识可借助线性回归方法来实现。从而使GM(1,1)模型的应用更显普及和实用化。 相似文献