DFT对Rb⁺水合团簇及其相关性质的分析          下载免费PDF全文

张文倩  葛蒲  房春晖  周永全  朱发岩  刘红艳  李武 《盐湖研究》2019,27(3):81-92

运用密度泛函理论(DFT)在ωB97XD/gen (O、H元素Aug-cc-PVDZ; Rb元素Lanl2DZ)基组水平上研究了[Rb(H_2O)_n]~+(n=1～12)水合团簇的结构和光谱学性质。研究结果表明,通过分析气相和液相中的稳定能以及水合团簇可知,稳定构型出现在8配位的团簇中。第一配位层水分子数为8时形成Rb~+第一近似饱和水合层。此外,拉曼光谱显示[Rb(H_2O)_n]~+(n=1～12)水合团簇中O-H伸缩振动峰随着水分子数增加发生移动和加宽,Rb~+发生水合时,O-H对称和非对称伸缩振动发生红移,随着水合数的增多,频率蓝移。此外,文中对拉曼光谱中O-H振动的频率位置结合团簇结构进行了说明。  相似文献   

云量对祁连山老虎沟12号冰川表面能量平衡的影响   总被引：1，自引：1，他引：0  

邹小伟  孙维君  杨堤益  王英珊  李延召  晋子振  杜文涛  秦翔 《冰川冻土》2021,43(2):342-356

为探讨云量对冰川表面能量平衡（SEB）的影响,利用架设在老虎沟12号冰川（简称12号冰川）消融区（4 550 m a.s.l.）的自动气象站资料,结合能量平衡模型计算各能量分量并分析其季节变化,通过云量参数化方案获取云量因子并量化其对冰川表面能量收支的影响。结果表明：净短波辐射为冰川表面主要的能量来源（92%）,净长波辐射为主要能量支出（61%）,二者均受云量影响,但云的短波辐射效应更强（-37 W?m^-2）。云量通过影响辐射收支和湍流通量进而影响冰川表面能量收支,随云量的增加,冰川表面获得的能量减少,冰川消融速率降低。与其他区域的冰川表面能量收支对比,除地理位置、反照率、气温等因素外,海拔和云量的影响也非常显著。  相似文献   

祁连山老虎沟12号冰川冰内结构特征分析   总被引：2，自引：0，他引：2  

武震  张世强  刘时银  杜文涛 《地球科学进展》2011,26(6):631-641

利用探地雷达(Ground Penetration Radar,GPR)调查冰川冰内结构和冰层厚度是一种监测冰川变化常用手段.应用麦克斯维(Maxwell)方程的二维时域有限差分(FDTD)方法,通过将模拟图像与老虎沟12号冰川的实测图像的对比,分析了雷达剖面中的几种反射特征,如冰裂隙、融洞、暖冰等.对比结果表明,GP...  相似文献   

添加维生素B_（12）生产菌高密度培养褶皱臂尾轮虫的效果     

于建平  日野明德 《中国海洋大学学报(自然科学版)》1994,(2)

阐述把维生素Ｂ１２生产菌添加到培养水中培养褶皱臂尾轮虫ＢｒａｃｈｉｏｎｕｓＰｌｉｃａｔｉｌｉｓ的买验。共１８株细菌分离于轮虫培养池，其中，有一株产维生素Ｂ１２的假单胞杆菌ＴＰ４对轮虫的生长繁殖有明显的促进作用。把ＴＰ４菌株培养后，加入到２Ｌ的烧杯和５００Ｌ的水槽中培养泰国Ｓ型轮虫时．在９ｄ（天）和６ｄ（天）中，轮虫密度从１２４～１３９和２４２～２８８个体／ｍｌ增殖到４，４１７～５，５４０和１，０１７～１，２５４个体／ｍｌ，分别比对照组增加了４～６及２～３倍。  相似文献   

Swath mapping of the seafloor and its application to deep-bottom fisheries in New Caledonia     

Patrick Lehodey  René Grandperrin 《Marine Geophysical Researches》1996,18(2-4):449-458

A bottom longline fishery operated in the EEZ of New Caledonia from 1988 to 1991. Fishing focused on five seamounts with summits at depths ranging from 500 to 750 m. The target species was alfonsino, Beryx splendens. As the soundings available from marine charts were not detailed enough, the fishing masters had to make their own charts in order to set the gear in the right location. A series of 11 scientific cruises devoted to a research program on alfonsino was launched in late 1991. During the first scientific cruises, several days were spent mapping the seabed to improve the existing knowledge of the topography of three seamounts by coupling the EDO echosounder depth measurements to the GPS positions. As this procedure is slow, it is applicable to limited areas or, if a wider grid is used, to large zones to locate major structures such as ridges and seamounts. The emergence of the multibeam echosounder has greatly improved seabed mapping performance. This tool seems to fit the requirement of exploratory deep-bottom fishing particularly well, as it covers large areas while providing details of the bottom. The EM 12 was used to obtain bathymetry and imagery of the SE portion of the EEZ of New Caledonia, covering an approximate area of 70,000 km² in two weeks. For depths ranging from 500 to 4,500 m, the results were impressive. They confirmed the known major features and provided greater topographical detail, revealing fine unknown structures. They also provided information on the type of substratum, information which might influence the fishing strategy. Finally, they made it possible to obtain an accurate estimate of the exploitable area which in turn led to new stock estimates.  相似文献   

Effects of pulsed nutrient inputs on phytoplankton assemblage structure and blooms in an enclosed coastal area   总被引：6，自引：0，他引：6  

Sofie Spatharis  George Tsirtsis  Daniel B. Danielidis  Thang Do Chi  David Mouillot   《Estuarine, Coastal and Shelf Science》2007,73(3-4):807-815

The response of phytoplankton assemblage structure to terrestrial nutrient inputs was examined for the Gulf of Kalloni in the Northern Aegean Sea, a productive semi-enclosed coastal marine ecosystem. The study was focused on a typical annual cycle, and emphasis was placed on the comparative analysis between blooms developing after significant nutrient inputs from the watershed, and naturally occurring blooms. Baseline information was collected on a monthly basis from a network of stations located in the oligotrophic open sea and the interior and more productive part of the embayment. Intensive sampling was also carried out along a gradient in the vicinity of a river which was the most important source of freshwater and nutrient input for the Gulf. Phytoplankton assemblage structure was analyzed from 188 samples using diversity indices (Shannon and Average Taxonomic Distinctness), multivariate plotting methods (NMDS), multivariate statistics (PERMANOVA), and canonical correspondence analysis (CCA). Three characteristic assemblages were recognized: (1) an autumn assemblage developed under nutrient depleted conditions, having low diversity due to the dominance of two small diatoms, (2) a winter bloom of the potentially toxic species Pseudo-nitzschia calliantha occurring immediately after a nutrient peak and characterized by very low diversity, and (3) a naturally occurring early summer bloom of centric diatoms with relatively high diversity. The results of the study support the view that moderate nutrient inputs may have a beneficial effect on the functioning of coastal ecosystems, stimulating the taxonomic diversity through the growth of different taxonomic groups and taxa. On the other hand, a sudden pulse of high nutrient concentrations may greatly affect the natural succession of organisms, have a negative effect on the diversity through the dominance of a single species, and can increase the possibility of a harmful algal bloom development.  相似文献   

日本(虫寻)和底栖短桨蟹线粒体DNA 12SrRNA基因序列的初步研究   总被引：6，自引：1，他引：6  

高天翔  张秀梅  渡边精一  伏屋玲子 《中国海洋大学学报(自然科学版)》2004,34(1):43-47

以相应引物对日本和底栖短桨蟹的线粒体 DNA1 2 S r RNA基因片段进行了 PCR扩增和序列测定 ,分析比较了 2种间序列差异。结果表明 :日本 1 2 S r RNA基因片段长度为 41 4 bp,底栖短桨蟹为 41 5bp,2种的 A,T,G,C含量分别为 1 51 bp(36.47% ) ,1 53bp(36.96% ) ,43bp(1 0 .39% ) ,67bp(1 6.1 8% )和 1 50 bp(36.1 4 % ) ,1 55bp(37.35% ) ,44bp(1 0 .60 % ) ,66bp(1 5.90 % )。 2种间共出现了 3个碱基的缺失 /插入和 38bp的序列差异 ,其碱基转换与碱基颠换比约为 2 .1 7。  相似文献   

恒星形成区GGD12-15的近红外观测     

房敏  姚永强 《天文学报》2004,45(1):1-15

给出恒星形成区GGD12-15的宽波段JHK和窄波段H2v=1-0S(1)近红外成像观测．观测图像揭示了致密的年轻红外星团和与红外源成协的红外星云，并发现了以H2发射结表征的星团外流活动．大多数红外点源在光学波段不可见；对76颗红外点源的JHK′测光结果显示，有32颗具有红外超，其中5颗表现原恒星特征，表明分子云中的恒星形成活动很活跃．以B8光谱型作为大质量星分界，由色星等图估计出大质量星所占星团比例为-10％～26％．GGD12—15星团的K′星等分布的峰值位于15.0mag，并在13．0mag-16．0mag平坦分布；[H—K′]色分布的峰值出现在-0．7mag，在此以上更红的星团成分占70％．在GGD12-15区新发现的氢分子发射结集中在星团中心领域，其空间分布明显与剧烈的恒星形成活动相关；有5个发射结位于分子外流的中心区域，暗示其激发可能与分子外流同源．  相似文献   

The movement features analysis of Laohugou Glacier No. 12 in Qilian Mountains   总被引：1，自引：0，他引：1  

YuShuo Liu  Xiang Qin  WenTao Du  WeiJun Sun  DianJiong Hou 《寒旱区科学》2011,3(2):0119-0123

The Laohugou Glacier No. 12 is the largest valley glacier in Qilian Mountains, which is located in northern Qinghai-Tibet Plateau. Movement is the basic characteristic of glaciers, and is also an important distinction from other terrestrial natural ice. Glacier changes not only reflect climate change, but also play an important role in humanity society. In the arid regions of western China, glaciers are becoming an important water source. We use the GPS receiver (South-Lingrui S82) as data platform with the aid of RTK measurement technology to observe the surface velocity of Laohugou Glacier No. 12. Surface velocity data shows that the maximum value appears at an altitude of 4,750–4,850 m during the period of 2008–2009. During this period, the west branch surface velocity reached 32.6 m per year at an altitude near 4,830 m, the east branch surface velocity reached 32.4 m per year at the altitude near 4,770 m. Comparing the surface velocity data during 2008–2009 with observation results in 1959, the glacier velocity slowed down about 11%.  相似文献   

Stability at high-pressure,elastic behaviour and pressure-induced structural evolution of CsAlSi<Subscript>5</Subscript>O<Subscript>12</Subscript>, a potential host for nuclear waste     

G. Diego Gatta  Nicola Rotiroti  Martin Fisch  Milen Kadiyski  Thomas Armbruster 《Physics and Chemistry of Minerals》2008,35(9):521-533

The elastic and structural behaviour of the synthetic zeolite CsAlSi₅O₁₂ (a = 16.753(4), b = 13.797(3) and c = 5.0235(17) Å, space group Ama2, Z = 2) were investigated up to 8.5 GPa by in situ single-crystal X-ray diffraction with a diamond anvil cell under hydrostatic conditions. No phase-transition occurs within the P-range investigated. Fitting the volume data with a third-order Birch–Murnaghan equation-of-state gives: V ₀ = 1,155(4) ų, K _T0 = 20(1) GPa and K′ = 6.5(7). The “axial moduli” were calculated with a third-order “linearized” BM-EoS, substituting the cube of the individual lattice parameter (a ³, b ³, c ³) for the volume. The refined axial-EoS parameters are: a ₀ = 16.701(44) Å, K _T0a = 14(2) GPa (β_a = 0.024(3) GPa^?1), K′ _a = 6.2(8) for the a-axis; b ₀ = 13.778(20) Å, K _T0b = 21(3) GPa (β_b = 0.016(2) GPa^?1), K′ _b = 10(2) for the b-axis; c ₀ = 5.018(7) Å, K _T0c = 33(3) GPa (β_c = 0.010(1) GPa^?1), K′ _c = 3.2(8) for the c-axis (K _T0a:K _T0b:K _T0c = 1:1.50:2.36). The HP-crystal structure evolution was studied on the basis of several structural refinements at different pressures: 0.0001 GPa (with crystal in DAC without any pressure medium), 1.58(3), 1.75(4), 1.94(6), 3.25(4), 4.69(5), 7.36(6), 8.45(5) and 0.0001 GPa (after decompression). The main deformation mechanisms at high-pressure are basically driven by tetrahedral tilting, the tetrahedra behaving as rigid-units. A change in the compressional mechanisms was observed at P ≤ 2 GPa. The P-induced structural rearrangement up to 8.5 GPa is completely reversible. The high thermo-elastic stability of CsAlSi₅O_12, the immobility of Cs at HT/HP-conditions, the preservation of crystallinity at least up to 8.5 GPa and 1,000°C in elastic regime and the extremely low leaching rate of Cs from CsAlSi₅O₁₂ allow to consider this open-framework silicate as functional material potentially usable for fixation and deposition of Cs radioisotopes.  相似文献