Prediction of Experimental Methanol Decomposition Rates on Platinum from First Principles

A microkinetic model for methanol decomposition on platinum is presented. The model incorporates competitive decomposition pathways, beginning with both O–H and C–H bond scission in methanol, and uses results from density functional theory (DFT) calculations [Greeley and Mavrikakis, J. Am. Chem. Soc. 124 (2002) 7193, Greeley and Mavrikakis, J. Am. Chem. Soc. 126 (2004) 3910]. Results from reaction kinetics experiments show that the rate of H₂ production increases with increasing temperature and methanol concentration in the feed and is only nominally affected by the presence of CO or H₂ with methanol. The model, based on the values of binding energies, pre-exponential factors and activation energy barriers derived from first principles calculations, accurately predicts experimental reaction rates and orders. The model also gives insight into the most favorable reaction pathway, the rate-limiting step, the apparent activation energy, coverages, and the effects of pressure. It is found that the pathway beginning with the C–H bond scission (CH₃OH→H₂COH→HCOH→CO) is dominant compared with the path beginning with O–H bond scission. The cleavage of the first C–H bond in methanol is the rate-controlling step. The surface is highly poisoned by CO, whereas COH appears to be a spectator species.     

A fuzzy neural network approach for online fault detection in waste water treatment process

In this paper, an effective strategy for fault detection of sludge volume index (SVI) sensor is proposed and tested on an experimental hardware setup in waste water treatment process (WWTP). The main objective of this fault detection strategy is to design a system which consists of the online sensors, the SVI predicting plant and fault diagnosis method. The SVI predicting plant is designed utilizing a fuzzy neural network (FNN), which is trained by a historical set of data collected during fault-free operation of WWTP. The fault diagnosis method, based on the difference between the measured concentration values and FNN predictions, allows a quick revealing of the faults. Then this proposed fault detection method is applied to a real WWTP and compared with other approaches. Experimental results show that the proposed fault detection strategy can obtain the fault signals of the SVI sensor online.     

Scalable Realistic Rendering with Many‐Light Methods

Recent years have seen increasing attention and significant progress in many‐light rendering, a class of methods for efficient computation of global illumination. The many‐light formulation offers a unified mathematical framework for the problem reducing the full lighting transport simulation to the calculation of the direct illumination from many virtual light sources. These methods are unrivaled in their scalability: they are able to produce plausible images in a fraction of a second but also converge to the full solution over time. In this state‐of‐the‐art report, we give an easy‐to‐follow, introductory tutorial of the many‐light theory; provide a comprehensive, unified survey of the topic with a comparison of the main algorithms; discuss limitations regarding materials and light transport phenomena and present a vision to motivate and guide future research. We will cover both the fundamental concepts as well as improvements, extensions and applications of many‐light rendering.     

Improving cache locality for GPU-based volume rendering

We present a cache-aware method for accelerating texture-based volume rendering on a graphics processing unit (GPU). Because a GPU has hierarchical architecture in terms of processing and memory units, cache optimization is important to maximize performance for memory-intensive applications. Our method localizes texture memory reference according to the location of the viewpoint and dynamically selects the width and height of thread blocks (TBs) so that each warp, which is a series of 32 threads processed simultaneously, can minimize memory access strides. We also incorporate transposed indexing of threads to perform TB-level cache optimization for specific viewpoints. Furthermore, we maximize TB size to exploit spatial locality with fewer resident TBs. For viewpoints with relatively large strides, we synchronize threads of the same TB at regular intervals to realize synchronous ray propagation. Experimental results indicate that our cache-aware method doubles the worst rendering performance compared to those provided by the CUDA and OpenCL software development kits.     

海上溢油漂移扩散的数值模拟

该文基于三维自由水面垂向分层动网格的Euler-Lagrangian模式,采用VC方式(Vertex-Centered)的非结构化有限体积方法离散三维浅水方程,模拟渤海的潮汐水流运动过程。以此为水动力背景场,采用油、水分离的Lagrangian粒子追踪模型,对渤海海域发生的溢油漂移扩散问题进行模拟。其油品的蒸发、乳化和溶解等风化作用以引入综合衰减系数的方式考虑。模型对油膜的漂移路径、厚度和面积进行了实时模拟和预测,用多个测站的同步连续实测值对水动力模式进行了参数率定与模型验证,油膜输运扩散的计算结果也与相关报告数据进行了对比,均吻合良好,说明模型具有较高的可靠性与重现性。     

城市径流总量控制指标分解及实现路径探索与实践

针对海绵城市径流总量控制目标,提出一种在城市规划体系中控制性详细规划和修建性详细规划阶段分解落实年径流总量控制率的方法。在控制性详细规划阶段分解径流总量控制指标时,分步骤先后确定各项低影响开发措施的面积率和下沉深度;在修建性详细规划阶段,配合径流总量控制指标分解结果,给出适宜的各项低影响开发措施的技术实施导则,以保证各单项指标的正确实施,并以某项目为例介绍了技术实施导则的构建方法。     

Skeleton-enhanced line drawings for 3D models

We present a novel line drawing approach for 3D models by introducing their skeleton information into the rendering process. Based on the silhouettes of the input 3D models, we first extract feature lines in geometric regions by utilizing their curvature, torsion and view-dependent information. Then, the skeletons of the models are extracted by our newly developed skeleton extraction algorithm. After that, we draw the skeleton-guided lines from non-geometric regions through the skeleton information. These lines are combined with the feature lines to render the final line drawing result using the line optimization. Experimental results show that our algorithm can render line drawings more effectively with enhanced skeletons. The resulting artistic effects can capture the local geometries as well as the global skeletons of the input 3D models.     

硼矿制硼酸母液中硼含量的测定方法探讨

报道了笔者用水相直接显色型比色法测定硼酸母液中硼含量的实验和结果。     

直接甲醇燃料电池用碳气凝胶载铂催化剂的研究

利用溶胶—疑胶方法制备了高比表面积的碳气凝胶,利用浸渍还原法制备了Pt/碳气凝胶和Pt/C催化剂。采用BJH和TEM考察碳气凝胶的孔径分布和金属粒子的大小与分布,循环伏安曲线测试考察Pt/碳气凝胶对甲醇催化氧化性能的影响。结果表明,碳气凝胶的比表面积达到480 m2/g,孔径分布良好,催化剂金属颗粒较小,分散较好,循环伏安曲线图显示出Pt/碳气凝胶比传统的Pt/C对甲醇催化氧化性能高。     

基于AdaBoost.MH的Reyes渲染架构时间预估算法

在大规模真实感渲染系统中,需要对渲染任务进行分解和调度,将其优化后分配给不同的可用计算资源,实现快速集群渲染。为了实现渲染任务的有效分解和调度,提高并行效率,高精度的时间预估算法是不可欠缺的。通过深入研究使用RenderMan规范的渲染器常用的Reyes渲染架构中对渲染时间产生影响的各种因素,分析提取出影响渲染时间的7大要素特征,提出了基于AdaBoost.MH的渲染时间预估算法。通过在基于Reyes渲染架构的渲染引擎中的实验与测试表明,训练集和测试集的准确率分别达到79%和78%,为渲染任务的并行调度奠定了基础,同时也为渲染费用预估提供了依据。