金属配合物与核酸作用机理的理论计算

通过计算机模拟金属配合物与核酸作用机理,对其理论模型能量计算和结构优化。在不同的化学环境条件下得到不同的实验模拟结果,对真实的化学反应过程有重要的指导意义和参考意义。通过Gaussian03,Gauss View等软件的结合应用,分别应用于优化计算和理论建模,熟悉了对化学软件操作应用。     

含煤盆地深层“超饱和”煤层气形成条件

中国深层煤层气资源丰富，但总体勘探和认识程度较低，尚未形成较为系统的深层煤层气地质理论。通过解剖分析准噶尔盆地白家海凸起和鄂尔多斯盆地临兴区块深层"超饱和"煤层气井的试气/生产动态，估算原地游离气的含气量，分析了深层"超饱和"煤层气的形成条件。研究表明：①深层"超饱和"煤层气储层中除吸附气外，还含有原地游离气，用常规试气方法可直接获得气流，煤层气的产出不明显依赖于排水降压；②埋藏超过一定深度，在煤阶和温度的综合作用下，煤的吸附能力将随埋深的继续增加而降低，煤层中吸附气的饱和度有增加的趋势，在达到吸附饱和后，出现原地游离气并形成"超饱和"煤层气，盆地深层具有"超饱和"煤层气形成的优势条件；③由于地温梯度和压力梯度的不同，不同盆地"超饱和"煤层气出现的临界深度不同，异常高压和异常高热流可以降低深层"超饱和"煤层气形成的临界深度；④深层"超饱和"煤层气开发具有大大缩短见气时间、充分利用地层能量和累积产水量低等优势，有望成为未来煤层气勘探开发的一个重要领域。     

低觉醒脑电识别与唤醒的可穿戴系统研究

为智能化地识别警戒作业人员出现的低觉醒、注意力下降的生理状态，本文介绍了一种基于FPGA和脑电信号处理的低觉醒状态检测与唤醒系统，系统通过传感器从大脑头皮采集脑电信号，转换为数字信号，经傅里叶变换获取了脑电信号的θ相对能量、α相对能量、重心频率、谱熵等4个特征量，由4个特征量表征低觉醒状态并运用支持向量机对低警戒状态进行识别，当识别出低觉醒状态时采用声音报警模块发出声音，唤醒警戒作业人员。设计系统能够较好地识别出低觉醒状态，识别率达90.8%，可为提高警戒作业工作绩效提供一种可穿戴的智能装备。     

Enabling supercapacitors to compete for ancillary services: An important step towards 100 % renewable energy

While wind and solar generation has increased dramatically over the past decade, there has been a much larger increase in gas generation (eia, 2019). This is driven in part by low gas prices but also in part by how electricity markets are organized. The intermittent nature of wind and solar generation increases the need for more flexible and reliable generation; a role gas plants fill well. However, current market structures and rules unfairly tip the balance in their favor compared to energy storage systems. They have created market barriers restrictive enough to prevent market participation of a technology key to a 100 % renewable grid: supercapacitors. Adjusting markets to remove the market barriers to supercapacitor and other energy storage systems will allow for increased renewable penetration while simultaneously improving grid performance and reducing costs.     

Kinetic analysis of magnesium aluminate spinel formation: Effect of MgO:Al2O3 ratio and titania dopant

The mechanistic pathway of MgO-Al₂O₃ reaction in solid state to form MgAl₂O₄ spinel was investigated to correlate the kinetic parameters with ratio of reactants (MgO:Al₂O₃) and with the presence of a doping agent, TiO₂. The time-temperature-expansion data of oxide compacts was analyzed using several model free analyses and model based (linear and non-linear) kinetic algorithms. These indicated that spinel formation process can be best described by single step with n-dimensional Avrami equation for every MgO:Al₂O₃ ratio, irrespective of titania dopant. The activation energy (E_a) of the process was proportional to % spinel formed in each system and validated with quantitative XRD analysis. The higher value of Avrami coefficient (n) in 90 wt% Al₂O₃ compositions has been explained with geometric considerations of powder packing. Incorporations of 1% TiO₂ in the MgO: Al₂O₃ oxide compact did not markedly affect the reaction model, frequency factor and Activation energy.     

低剂量抑制剂Inhibex501存在下的甲烷水合物相平衡研究

含动力学抑制剂的天然气水合物相平衡研究对新型低剂量抑制剂的开发具有指导作用。在283.6 ~ 290.9 K和7.51 MPa ~ 15.97 MPa的温压范围内研究了抑制剂Inhibex501及其溶剂2-乙二醇单丁醚对甲烷水合物相平衡条件的影响。实验结果显示，0.5wt%和2.0wt%浓度的Inhibex501对甲烷水合物形成的热力学条件具有促进作用，能使甲烷水合物形成移向更高的温度或者更低的压力，而2-乙二醇单丁醚在浓度0.2wt% ~ 1.0wt%范围几乎不改变甲烷水合物形成的热力学条件，N-乙烯基己内酰胺与N-乙烯基吡咯烷酮的共聚物对水合物形成热力学条件的改变起主要作用。     

Accuracy of wind energy forecasts in Great Britain and prospects for improvement

The metric representing the wind energy forecast error, when reported as a percent, is calculated quite differently than the error metrics for electricity transmission, electricity load, or in other industries such as manufacturing when they are also reported as a percent. The resulting calculated metric is quite different from what would be reported if the method utilized elsewhere was employed. This paper examines the possible forecast assessment and operational challenges associated with this finding. Concerning the prospects for improvement, the errors reported in MW of energy have a systematic component. With this insight, we developed a model to improve accuracy.     

High-efficiency Silicon Solar Cells: A Review

Over the past few decades, crystalline silicon solar cells have been extensively studied due to their high efficiency, high reliability, and low cost. In addition, these types of cells lead the industry and account for more than half of the market. For the foreseeable future, Si will still be a critical material for photovoltaic devices in the solar cell industry. In this paper, we discuss key issues, cell concepts, and the status of recent high-efficiency crystalline silicon solar cells.     

Hydrogel photocatalysts for efficient energy conversion and environmental treatment

Photocatalysts have attracted great research interest owing to their excellent properties and potential for simultaneously addressing challenges related to energy needs and environmental pollution. Photocatalytic particles need to be in contact with their respective media to exhibit efficient photocatalytic performances. However, it is difficult to separate nanometer-sized photocatalytic materials from reaction media later, which may lead to secondary pollution and a poor recycling performance. Hydrogel photocatalysts with a three-dimensional (3D) network structures are promising support materials for photocatalysts based on features such as high specific surface areas and adsorption capacities and good environmental compatibility. In this review, hydrogel photocatalysts are classified into two different categories depending on their elemental composition and recent progresses in the methods for preparing hydrogel photocatalysts are summarized. Moreover, current applications of hydrogel photocatalysts in energy conversion and environmental remediation are reviewed. Furthermore, a comprehensive outlook and highlight future challenges in the development of hydrogel photocatalysts are presented.