Design of new catalysts for ecological high-quality transportation fuels by combinatorial computational chemistry and tight-binding quantum chemical molecular dynamics approaches

Recently, we introduced a concept of combinatorial chemistry to computational chemistry and proposed a new method called “combinatorial computational chemistry”, which enables us to perform a theoretical high-throughput screening of catalysts. In the present paper, we reviewed our recent application of our combinatorial computational chemistry approach to the design of new catalysts for high-quality transportation fuels. By using our combinatorial computational chemistry techniques, we succeeded to predict new catalysts for methanol synthesis and Fischer–Tropsch synthesis. Moreover, we have succeeded in the development of chemical reaction dynamics simulator based on our original tight-binding quantum chemical molecular dynamics method. This program realizes more than 5000 times acceleration compared to the regular first-principles molecular dynamics method. Electronic- and atomic-level information on the catalytic reaction dynamics at reaction temperatures significantly contributes the catalyst design and development. Hence, we also summarized our recent applications of the above quantum chemical molecular dynamics method to the clarification of the methanol synthesis dynamics in this review.     

模糊C-均值聚类分析研究大亚湾水质空间分布规律

模糊C-均值聚类方法研究人类活动影响下大亚湾海域水体生态环境空间分布规律．揭示大亚湾水体生态环境空间分布分成两类区域：其一为受人类活动影响为主的大鹏澳、澳头以及大亚湾东北部区域;其二为受湾外南海海水交换影响较大的大亚湾南部、中部和东部海域。模糊C-均值聚类分析作为一种数据信息提取方法,为海洋环境生态研究提供新的方法。     

临川区土地生态环境安全评价研究

通过对临川区土地生态环境的研究,采用德尔菲法、等距划分法、加权指数法,确定该区域生态环境评价指标、权重、以及安全等级,得出临川区各乡镇的生态环境安全指数,为临川区土地生态环境安全建设提出建议。     

基于纹理特征与随机森林的生态声音识别

针对真实环境中普遍存在的非平稳噪声,提出一种基于纹理特征与随机森林的生态声音识别方法。该方法首先使用一种基于噪声估计的音频增强算法,即短时谱估计对输入端声音信号进行前端处理,得到增强信号功率谱;然后根据得到的增强信号功率谱图的纹理信息,采用和差统计法对其进行纹理特征提取;最后,利用基于决策树的组合分类器,即随机森林进行识别和分类。设计了两组对比实验,结果表明该方法不仅有良好的识别性能,而且具有噪声鲁棒性。     

碟形湖在鄱阳湖湿地生态系统的作用和意义

"碟形湖"是指鄱阳湖湖盆区内枯水季节显露于洲滩之中的季节性子湖泊,具有特殊的地貌特征和水文特性、复杂多变的湿地景观和丰富的生物多样性等特征.在碟形湖及其周边,湿生与水生植物群落有序分布、季节性演替;静水水域有利于底栖动物和鱼类生长育肥;缓慢下降的水位、逐渐伸展的泥滩为越冬候鸟持续提供丰富的食物和歇息环境,全湖80%以上的水鸟在碟形湖区域越冬.高低不一、分布广泛的碟形湖群有效地缓解了干旱、洪水灾害对鄱阳湖湿地生态系统的冲击,对于维护全球生态系统的完整性和生物多样性具有重要作用.最后提出了加强碟形湖保护和管理的对策.     

河道生态护坡技术在宜春市城市防洪工程中的运用

根据国内有关城市河道治理的先进经验,采用了生态护坡技术在江西省宜春市城市防洪工程中的应用,取得显著效果.     

基于Delaunay三角网的空间离群挖掘

空间离群是指非空间属性与其空间邻居显著不同的空间对象。空间数据的特殊性决定了空间离群挖掘需要充分考虑空间数据的特点,才能挖掘出有现实意义的离群。本文对现有主要的空间数据离群挖掘算法进行了研究分析,针对k-邻域法确定空间邻域的缺点,基于Delaunay三角网在表达空间邻近关系的有效性,通过构建Delaunay三角网确定空间邻域并生成空间权重矩阵,据此提出了基于Delaunay三角网的空间离群挖掘算法DT_SOF,并以实际生态地球化学数据进行实验检验。结果表明,算法具有较低的用户依赖性,能准确挖掘空间离群。     

采用元数据Web Service技术结合的数据共享研究

随着计算机技术的发展和信息化进程的推进,各部门的数据以令人惊异的速度增长,不同数据库管理系统存储并管理着数据,异地系统间的异构性使企业和机构间的数据访问存在诸多的不便,大大降低了信息的利用效率。针对这一情况,提出了结合元数据和Web Service技术实现数据共享问题的解决方案,充分发挥元数据在数据管理方面的特性和Web Service在分布式计算上的优势,实现共享数据的集中性管理和分布式存储,并对崇明岛生态环境数据共享平台的开发建设进行了具体的研究。     

独立光伏系统的应用及控制策略探讨

本文分析了独立光伏系统在解决边防及海岛部队供电难题和生态营区建设等方面的应用,讨论了独立光伏系统存在的主要问题,分析了能量控制策略的现状和蓄电池分组控制策略,给出了分组原则,研究了控制电路的结构和原理。实践证明,分组充放电对于提高供电可靠性,延长蓄电池寿命有一定的现实意义。     

Estimating life-form cover fractions in California sage scrub communities using multispectral remote sensing

The California sage scrub (CSS) community type in California's Mediterranean-type ecosystems is known for its high biodiversity and is home to a large number of rare, threatened, and endangered species. Because of extensive urban development in the past fifty years, this ecologically significant community type is highly degraded and fragmented. To conserve endangered CSS communities, monitoring internal conditions of communities is as crucial as monitoring distributions of the community type in the region. Vegetation type mapping and field sampling of individual plants provide ecologically meaningful information about CSS communities such as spatial distribution and species compositions, respectively. However, both approaches only provide spatially comprehensive information but no information about internal conditions or vice versa. Therefore, there is a need for monitoring variables which fill the information gap between vegetation type maps and field-based data. A number of field-based studies indicate that life-form fractional cover is an effective indicator of CSS community health and habitat quality for CSS-obligated species. This study investigates the effectiveness of remote sensing approaches for estimating fractional cover of true shrub, subshrub, herb, and bare ground in CSS communities of southern California. Combinations of four types of multispectral imagery ranging from 0.15 m resolution scanned color infrared aerial photography to 10 m resolution SPOT 5 multispectral imagery and three image processing models - per-pixel, object-based, and spectral mixture models - were tested.An object-based image analysis (OBIA) routine consistently yielded higher accuracy than other image processing methods for estimating all cover types. Life-form cover was reliably predicted, with error magnitudes as low as 2%. Subshrub and herb cover types required finer spatial resolution imagery for more accurate predictions than true shrub and bare ground types. Positioning of sampling grids had a substantial impact on the reliability of accuracy assessment, particularly for cover estimates predicted using multiple endmember spectral mixture analysis (MESMA) applied to SPOT imagery. Of the approaches tested in this study, OBIA using pansharpened QuickBird imagery is one of the most promising approaches because of its high accuracy and processing efficiency and should be tested for more heterogeneous CSS landscapes. MESMA applied to SPOT imagery should also be examined for effectiveness in estimating factional cover over more extensive habitat areas because of its low data cost and potential for conducting retrospective studies of vegetation community conditions.