氟利昂R12及其替代物的分子构型和特征光谱研究

采用密度泛函理论对氟利昂R12及其替代物R134a在B3LYP/6-311G++（d,p）基组水平上进行结构优化和特征光谱计算.首次在该高精度基组下优化得到了R12和R134a的键长、键角和二面角等分子构型参数,且通过进一步的计算,得到了这两种分子的红外光谱和拉曼光谱.其中R12红外光谱的计算结果与美国国家标准局数据库（NIST）提供的实验结果基本吻合,说明了计算结果的准确性.另外通过从头算CIS方法对能量进行计算,得到了R12和R134a的紫外可见吸收光谱.计算结果可为进一步保护大气臭氧提供有用的数据参考.     

The petrologic characteristics of carbonaceous shale and its significance of shale (las. Lucaogou formation,southern junggar basin北大核心CSCD

In the margin of southern Junggar basin, there is a potential of shale gas with the upper Permian l.uoaogou Formation. For a detailed understanding and evaluation with the shale gas geological characteristics of l.uoaogou Formation, the petrologic characteristics of the carbonaceous shale was researched, and the results show that: ( 1 ) in l.ucaogou Formation, the mean value of the brittle mineral percentages of the upper member, the middle member and the lower member are all more than 50%, but it is the highest in the middle member, and it is second in the lower member. At the same time, in the lower member, the mean value of the brittle mineral percentages is significantly lower than the upper and middle members; (2)the main brittle mineral in each member are quartz+feldspar, and there is a same change rule between the quartz+feldspar content and the total brittle mineral, that is; The quartz + feldspar content is the highest in the middle member, followed with the lower member, and it is obviously low in the upper member; (3 )from the lower member to the upper member, the content of carbonate in the carbonaceous shale are gradually reduced; (4) the clay mineral content of the carbonaceous shale of the upper member is far higher than the lower and middle members. And the clay mineral in each member are mainly constituted with illite and illite/Mongolia inter layer; ( 5 ) in the northern margin of the western part of the Bogda Mountain, south Junggar Basin, the brittle mineral content of the carbonaceous shale generally present as a decreasing trend from west to east to Fu Rang.     

生计多样化背景下种植业非点源污染负荷演变

依托三峡库区典型村农户访谈数据,基于收益最大目标决策框架,设定农村转型发展中3种农户生计类型情景：农业主导生计、兼业转向生计和非农主导生计,解析种植业产污负荷随主导生计非农转向的演变特征,探讨主导生计类型转向的动力机制。结果表明：① 样区耕地经营现状呈自耕、流转与撂荒并存的多元化发展格局,且表现出“入”小于“出”的特征,不同农户家庭类型间实际人均耕种规模为“半劳动力家庭”>“无劳动力家庭”>“劳动力家庭”;② 种植业单位面积产污负荷中,“半劳动力家庭”最高,“劳动力家庭”次之,“无劳动力家庭”最低,“劳动力家庭”内部又随劳动力人数增加呈先增再减趋势;③ 样区农户生计类型由农业主导向非农主导转型过程中,种植业产污负荷最大减幅达72.01%,兼业转向生计情景下削减幅度为19.61%~29.85%,非农主导生计情景下减幅为35.20%~72.01%,但TN、TP的减量特征并不一致;④ 劳动力配置与生计来源“非农化”促使农户主导生计类型向非农转化,生计非农演变的潜在农户收入/福祉权衡亦驱使生计决策转向非农化,不同农户家庭类型对生计转向的敏感程度表现为“劳动力家庭”>“半劳动力家庭”>“无劳动力家庭”;⑤ 在新型城镇化快速推进和创新新型工业体系构建过程中,山区农户生计类型进一步向非农转变,而这一过程又将促使种植业产生的污染负荷量进一步减少,要大幅削减种植业产污负荷,就必须制定有助于山区农户生计非农化的调控对策。     

基于聚落演变的岩溶山地聚落体系空间结构整合——以后寨河地区为例

基于高精度遥感影像和实地调查数据,选择黔中高原的典型岩溶山地普定县后寨河流域,探讨了1963~2010年岩溶山地的聚落和人口变迁,建立了基于聚落规模等级发展变迁和人口密度空间分布的乡村聚落发展适宜性和聚落整治类型评价方法。研究区大聚落和较大聚落主要分布在耕地条件和交通条件较好的中部峰丛洼地区东、西两侧,人口密度高值中心对应的往往是大聚落等级。研究区聚落可划分为重点村镇型、优先发展型、有条件扩展型、限制扩展型和迁弃型5类。     

马尾松树轮不同组分稳定碳同位素的差异及其对气候变化响应的初步研究

比较了中国东南地区九岭山和九连山两地马尾松（Pinus massoniana）树轮不同组分δ¹³C对气候变化响应的敏感性,结果表明：α纤维素δ¹³C和综纤维素δ¹³C在均数方面较全木δ¹³C分别偏正1.170‰±0.168‰和1.211‰±0.121‰;3种组分δ¹³C年际变化序列显著正相关（p < 0.001）;两地生长季中晚期水分状况是制约马尾松树轮δ¹³C的主要因子,3种组分δ¹³C与此时段的气候要素相关性均达到显著水平（p<0.05）,3种组分δ¹³C对气候变化响应的敏感性没有显著差异。     

微型化大气电场检测仪的设计

针对目前电场检测仪体积大,成本高,操作复杂等问题,研制了一套微型化大气电场检测仪系统。该系统以电容作为传感器感知单元,两相四线步进电机作为传感器感知单元转动的载体,使用含内置A/D转换的STC12LE2052AD单片机进行数据采集,简化了电路的设计。无线蓝牙模块与数据采集系统相结合实现了实时显示的功能,最后将接收到的数据通过上位机显示出来。硬件部分设计了信号的放大滤波电路、A/D转换电路及数据采集与处理电路。利用MATLAB仿真,C语言编程,调试结果表明各项功能符合设计要求,并获得了误差小于4%的高精度测量结果。     

Retrieval of CDOM and DOC Using In Situ Hyperspectral Data: A Case Study for Potable Waters in Northeast China

Chromophoric dissolved organic matter (CDOM), the light absorbing fraction of dissolved organic carbon (DOC), together with phytoplankton and total suspended matter are the main optically active components could be retrieved by remote sensing data. Generally, different composition of DOC and CDOM corresponds to different water surface reflectance. Absorption properties of CDOM and retrieval models for CDOM and DOC were investigated with data from potable reservoirs located in the central of Jilin Province. Water sampling field surveys were conducted on 15, 16 and 19 of September 2012 across the Shitoukoumen, Erlonghu and Xilicheng reservoirs, respectively. Both empirical regression (single band model and band ratio model) and partial least squares coupled with back-propagation artificial neural models (PLSBPNN) were established to estimate CDOM absorption coefficient at 355 nm [a_CDOM(355)] and DOC concentration with in situ measured remote sensing reflectance. It was found that the band ratio models and PLSBPNN model performed well for estimating DOC concentration while the band ratio models yielded the best result in retrieval CDOM. Moreover, all the three models performed better on the DOC concentration estimation than the performance on a_CDOM(355). Band ratio models outperformed (R ² ?=?0.55) other models for estimating CDOM absorption coefficient, while PLSBPNN model outperformed other models with respect to DOC estimation (R ² ?=?0.93). High spectral slope values indicated that CDOM in the potable waters primarily comprised low molecular weight organic substances; while sources of DOC were mainly coming from exogenous input, which was the main reason lead to the difference of model performances on DOC and a_CDOM(355) estimation. The algorithms developed in this study is needed to be tested and refined with more in situ spectral data, also future work is still needed to be undertaken for characterizing the dynamic of the potable water quality with remotely sensed imagery.