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采用基于密度泛函理论的广义梯度近似(GGA),对不同尺寸(N=2—11)的单层正三角锯齿型石墨烯量子点(Z N -GNDs)的结构进行优化,得到与实验数据较好符合的晶格常数,进一步计算得到不同尺寸下体系的自旋多重度、磁矩、电子态密度以及自旋电子密度.结果表明:所有体系都呈现金属性,在尺寸较小的体系中量子尺寸效应对电子结构的影响比较明显;与单层石墨烯片一样,sp2杂化作用和非键态电子在量子点中仍起到非常重要的作用;费米能级上有自旋向上的电子分布,体系的自旋多重度 相似文献
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研究了ｐＨ 和总钼酸根浓度对海水中钼酸根在针铁矿上吸附的影响。钼酸根在针铁矿上的吸附等温线为Ｓ型。假设海水中钼酸根在针铁矿表面的吸附,是在双电层的内Ｈｅｌｍｈｏｌｔ 层中的能量相等的不同位置上进行的,并考虑到吸附的钼酸根之间存在着横向相互作用,由此推导得到的吸附等温式可描述钼酸根在针铁矿上的Ｓ型吸附等温线,并计算得到钼酸根在针铁矿上的最大吸附量为４ ．７６ ×１０－ ５ｍｏｌ／ｇ。钼酸根在针铁矿上的吸附受溶液ｐＨ影响,吸附密度随ｐＨ 的增加而降低。加入到海水中的钼约有２０ ％ 可被水合氧化铁的清除作用所转移。 相似文献
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一、引言 英文species一词在生物学称为“种”或“物种”。化学借用以表示一元素在物质中所具的各种化学价态、结合状态。如铬有三价、六价之别,也可以与无机和有机物络合,也可吸附于胶体。这些均称为元素的型体。在一样品中,某一元素存于各型体中之总和为该元素在样品中的总含量。 相似文献
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根据海水密度场来间接计算深海海流速度的Helland Hansen方法,由于比较简便,至今仍得到广泛的应用。为了将该方法应用于浅海区的海流计算,人们已提出了不少改进方案,但这些方案都没有考虑海底的摩擦效应,因而计算结果往往与实际情况不符。本文提出的浅海海流计算方法,首先把浅海区中已建立的海水密度场往海底以下的虚构水体中外推,然后沿用经典的动力计算方法计算地转流速度,最后进一步考虑海底摩擦效应而计算出浅海密度流的速度。 相似文献
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本世纪初以来,计算海水密度都是以福尔奇、克努森、苏伦森(1902年)的密度测量和爱克曼(1908年)的压缩率测量为依据的。新近得到的数据表明,克努森—爱克曼方程计算的数值存在误差。这些误差主要是由于测量的样品成分不同所引起的,并与盐度定义和测量的精确度有关。需要一个与1978年实用盐标定义一致的新国际海水状态方程。 相似文献
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铬对文昌鱼的毒性效应和生长的影响 总被引：4，自引：2，他引：2
本文分析并报道了不同浓度Ｃｒ＾６＋和Ｃｒ＾３＋对文昌鱼的毒性效应及对文昌鱼生长的影响。结果表明,Ｃｒ＾６＋的毒性大于Ｃｒ＾３＋,其对文昌鱼的致死效应与底质有关;组织学观察发现,文昌鱼中毒器官主要是鳃、肠和肌肉;适宜浓度的Ｃｒ＾６＋和Ｃｒ＾３＋可明显地促进文昌鱼的生长。 相似文献
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南极洲赖特谷万达盐湖中铬的垂直迁移 总被引：2，自引：0，他引：2
南极洲万达湖湖水上部为氧化环境,铬浓度较低,Cr~(6+)占主导地位,主要以CrO_4~(2-)形式存在;下部为还原环境,铬浓度高,Cr~(3+)为主,以Cr(OH)_2~+和Cr(OH)~(2+)形式存在。湖水中锰、铁的氧化物及氢氧化物颗粒对铬离子的吸附和释放过程,控制了湖水铬浓度的变化。 相似文献
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The stable form of dissolved chromium in oxygenated seawater is Cr(VI). But Cr(III)-species are also present at an analytically significant level. It is shown that Cr(III) is oxidized only slowly by dissolved oxygen, and that manganese oxide is a strong catalyst for such oxidation. However, the low oceanic concentration of suspended MnO2 impedes the conclusion that the former process is quantitatively less important than the latter one. The distribution of dissolved chromium among Cr(VI)- and Cr(III)-species is probably kinetically controlled. 相似文献
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Determination of total chromium on two profiles and chromium III on four samples of equatorial Pacific Ocean water have been carried out using coprecipitation of chromium from sea water with hydrous iron oxides, followed by ion-exchange separation and isotope dilution mass spectrometry. Results for two Pacific profiles show increasing total chromium concentration from surface to 250 m. The Cr concentration appears to be different below 1,000 m, with nearly homogeneous concentrations for the first profile and regularly increasing Cr concentrations from 0.330 to 0.550 μg/l at 3,900 m for the second one. Results for Cr(III) show that trivalent species are dominant in these samples. 相似文献
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Research of chromium speciation in the Bohai Gulf showed that content of particulate chromium in estuarine area rea ched more than 90%, so it is an existing dominant speciation in the Bohai Gulf. Ratio between trivalent chromium to total dissolved chromium is over 80%, whereas contents of hexavalent chromium is very low. The mean content of Cr (Ⅲ) is 5.6 times higher than that of Cr (Ⅵ). Thus trivalent chromium is the prinicipal speciation of valency state of chromium in the Bohai Gulf.Under the physical and chemical condition at the eatuary transferring mechanism of chromium in seawater of Bohai Gulf is done by absorption, complexion and subsequent settlement in the sediments of trivalent chromium by suspended matter. Therefore suspended matter plays a part on the purification of sewater for this gulf. 相似文献
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Chromium(VI) concentrations ranging between 3.0 and 6.1 nmol l−1 and 3.1 and 7.3 nmol l−1 were found in the Arctic and Atlantic Oceans, respectively. The vertical profiles show modest depletion of chromium(VI) in surface waters, but poor overall correlations between Cr(VI) and nutrient profiles. Given that Cr(VI) is the dominant oxidation state of chromium in open-ocean waters, these data are combined with literature data to reassess the distribution of Cr in oceanic waters. It is concluded that while Cr shows some characteristics of both “recycled” and “accumulated” vertical profiles, it does not fall clearly within either group. 相似文献
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A reproducible, low-blank, isotope-dilution technique for the determination of inorganic Cr(III) and total dissolved chromium in seawater has been developed. Analysis of coastal water from Brittany, France, confirms that inorganic Cr(III) exists in excess of the thermodynamic equilibrium value calculated from the model of Elderfield (1970). A vertical profile of total chromium at 13°N on the East Pacific Rise confirms the general features of Cr behaviour: slight depletion at the surface (Cr = 2.0 nmol l−1 compared to 2.6 nmol l−1 below 1000 m) and bottom excess possibly due to Cr (III) release from sediments (up to 15.8 nmol l−1). A maximum enrichment of six times the average seawater value is obtained in hydrothermal waters. The chromium content of metalliferous sediments is mainly due to scavenging from the water column; input of chromium into the ocean through hydrothermalism is negligible. 相似文献
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Bruce E. Frey G.Fritz Riedel Ann E. Bass Lawrence F. Small 《Estuarine, Coastal and Shelf Science》1983,17(2):181-187
Experiments were conducted in which we tested the effects of hexavalent chromium on both natural assemblages of phytoplankton and cultures of Thalassiosira pseudonana clone 3H. Water was collected from various locations in Yaquina Bay, Oregon, with salinities ranging from 32·5‰ to 0·03‰. A variety of nutrient regimes were tested by adding major nutrients and micro-nutrients, and/or stripping micro-nutrients with activated carbon. In one high salinity experiment, chromium was stimulatory, as were micro-nutrient additions. In other high and medium salinity experiments, chromium was neither stimulatory nor inhibitory, at levels up to 1·9 μ mole l?1 Cr. There was, however, slight inhibition of growth at 19·0 μ mole l?1 Cr, due specifically to inhibition of Skeletonema costatum. In our freshwater experiments, chromium was very inhibitory at 1·9 μ mole l?1 Cr, and slightly inhibitory at 0·19 μ mole l?1 Cr. Species inhibited by chromium were Surirella ovata, Detonula confervacea, and Cyclotella sp. Experiments were conducted with T. pseudonana grown over a wide range of salinities. Chromium was found to be very inhibitory in freshwater and became progressively less toxic as the salinity increased. Most inhibition was neutralized by a salinity of 2·1‰. 相似文献
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Bioaccumulation of chromium and its effects on reproduction in Neanthes arenaceodentata (polychaeta)
The levels of hexavalent chromium (Cr VI) that caused diminished reproductive ability in the polychaete Neanthes arenaceodentata were determined. Changes in numbers of offspring and time of spawning caused by Cr VI at 1 to 38 ug/litre during two generations of exposure (309 days) were measured. Time to spawning was unaffected but it was found that reductions in numbers of offsprings occurred at 16 to 38 μl/litre. Bioaccumulation of chromium was also measured and found to be proportional to exposure levels; however, a direct relationship between tissue concentration and reduced numbers of offspring could not be established. 相似文献
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Barnacles (Balanus sp) were used to examine the uptake and release of chromium-51 added to sea water in two different valence states, 51Cr(VI) and 51Cr(III).Hexavalent chromium-51 (sodium chromate) forms a true ionic solution in filtered sea water and barnacles were able to accumulate chronium in soft tissues 543 times the levels found in sea water. The experiment showed that incorporated Cr(VI), is released to the water in such way that only 20%% of maximum uptake was lost by the organisms after 26 days. Addition of the hexavalent form to non filtered sea water showed that 2% of the total radioactivity was attached to the suspended particles. Here again chromium is mainly concentrated in soft tissues, showing a concentration factor of 380 related to total chromium available in aquarium (solution + suspended particles). From the total radioactivity incorporated by the organisms, 20 % was released after 56 days in the clearance experiment.Chromium, as trivalent chromic chloride, when added to sea water precipitates and is quickly removed from the water by the filter activity of the barnacles. Unlike the hexavalent form, trivalent chromium is not concentrated in soft tissues of the barnacles and is quickly released to the water through the organisms digestive system. 相似文献