Computational studies on the radiative and nonradiative processes of luminescent N-heteroleptic platinum(II) complexes

Three N-heteroleptic Pt(II) complexes, [Pt(C^C)(O^O)] [O^O = acetylacetonate, C^C = 1-phenyl-1,2,4-triazol-5-ylidene (1), C^C = 4-phenyl-1,2,4-triazol-5-ylidene (2), C^C = 2-phenylpyrazine (3)] have been investigated with density functional theory (DFT) and time-dependent density functional theory (TDDFT). The radiative decay rate constants of complexes 1–3 have been discussed with the oscillator strength (f_n), the strength of spin–orbit coupling (SOC) interaction between the lowest energy triplet excited state (T₁) and singlet excited states (S_n), and the energy gaps between E(T₁) and E(S_n). To illustrate the nonradiative decay processes, the transition states between triplet metal-centered (³MC) and T₁ states have been optimized and were verified with the calculations of vibrational frequencies and intrinsic reaction coordinate (IRC). In addition, the minimum energy crossing points (MECPs) between ³MC and ground states (S₀) were optimized. At last, the potential energy curves relevant to the nonradiative decay pathways are simulated. The results show that complex 3 has the biggest photoluminescence quantum yield because the complex 3 has the biggest radiative decay rate constant and the smallest nonradiative decay rate constant in complexes 1–3.     

Usability of a cloud-based collaborative learning framework to improve learners’ experience

Computer-Supported Collaborative Learning (CSCL) is concerned with how Information and Communication Technology (ICT) might facilitate learning in groups which can be co-located or distributed over a network of computers such as Internet. CSCL supports effective learning by means of communication of ideas and information among learners, collaborative access of essential documents, and feedback from instructors and peers on learning activities. As the cloud technologies are increasingly becoming popular and collaborative learning is evolving, new directions for development of collaborative learning tools deployed on cloud are proposed. Development of such learning tools requires access to substantial data stored in the cloud. Ensuring efficient access to such data is hindered by the high latencies of wide-area networks underlying the cloud infrastructures. To improve learners’ experience by accelerating data access, important files can be replicated so a group of learners can access data from nearby locations. Since a cloud environment is highly dynamic, resource availability, network latency, and learner requests may change. In this paper, we present the advantages of collaborative learning and focus on the importance of data replication in the design of such a dynamic cloud-based system that a collaborative learning portal uses. To this end, we introduce a highly distributed replication technique that determines optimal data locations to improve access performance by minimizing replication overhead (access and update). The problem is formulated using dynamic programming. Experimental results demonstrate the usefulness of the proposed collaborative learning system used by institutions in geographically distributed locations.     

Improving the multi-objective evolutionary optimization algorithm for hydropower reservoir operations in the California Oroville–Thermalito complex

This study demonstrates the application of an improved Evolutionary optimization Algorithm (EA), titled Multi-Objective Complex Evolution Global Optimization Method with Principal Component Analysis and Crowding Distance Operator (MOSPD), for the hydropower reservoir operation of the Oroville–Thermalito Complex (OTC) – a crucial head-water resource for the California State Water Project (SWP). In the OTC's water-hydropower joint management study, the nonlinearity of hydropower generation and the reservoir's water elevation–storage relationship are explicitly formulated by polynomial function in order to closely match realistic situations and reduce linearization approximation errors. Comparison among different curve-fitting methods is conducted to understand the impact of the simplification of reservoir topography. In the optimization algorithm development, techniques of crowding distance and principal component analysis are implemented to improve the diversity and convergence of the optimal solutions towards and along the Pareto optimal set in the objective space. A comparative evaluation among the new algorithm MOSPD, the original Multi-Objective Complex Evolution Global Optimization Method (MOCOM), the Multi-Objective Differential Evolution method (MODE), the Multi-Objective Genetic Algorithm (MOGA), the Multi-Objective Simulated Annealing approach (MOSA), and the Multi-Objective Particle Swarm Optimization scheme (MOPSO) is conducted using the benchmark functions. The results show that best the MOSPD algorithm demonstrated the best and most consistent performance when compared with other algorithms on the test problems. The newly developed algorithm (MOSPD) is further applied to the OTC reservoir releasing problem during the snow melting season in 1998 (wet year), 2000 (normal year) and 2001 (dry year), in which the more spreading and converged non-dominated solutions of MOSPD provide decision makers with better operational alternatives for effectively and efficiently managing the OTC reservoirs in response to the different climates, especially drought, which has become more and more severe and frequent in California.     

Two-agent two-machine flowshop scheduling with learning effects to minimize the total completion time

We study a two-agent scheduling problem in a two-machine permutation flowshop with learning effects. The objective is to minimize the total completion time of the jobs from one agent, given that the maximum tardiness of the jobs from the other agent cannot exceed a bound. We provide a branch-and-bound algorithm for the problem. In addition, we present several genetic algorithms to obtain near-optimal solutions. Computational results indicate that the algorithms perform well in either solving the problem or efficiently generating near-optimal solutions.     

Use of conditioning time to investigate the mechanisms of interactions of selected fatty acids on hematite Part II laboratory investigations

It is the aim of this paper to examine the effects of conditioning time on the flotation of hematite using three technical grade fatty acid reagents as providing additional evidence on their mechanism of interaction with the hematite surface. Various mechanisms have been postulated as occurring as conditioning time is increased. Both physical (e.g. conditioning time and power input) and chemical (nature, dispersion and solubility of the adsorbing species) contribute to the mechanisms of attachment of collector. In this paper, the mechanism of attachment of oleate to hematite can be readily explained by chemisorption, but the mechanism of attachment of lauric acid appears to be physical adsorption at neutral pH. The flotation of hematite with a mixture of tallow-type fatty acids (palmitic, stearic and oleic acids) is very sensitive to conditioning time, and suggests that, even though flotation is very effective at short conditioning times, it is very susceptible to the presence of fines and their associated high surface areas. It is therefore obvious that both the physical and chemical conditions contribute to the mechanisms of adsorption of fatty acids on iron-containing oxide minerals and must be understood in order to optimise the flotation of these minerals in an industrial situation.     

Word length and lexical activation: Longer is better.

Many models of spoken word recognition posit the existence of lexical and sublexical representations, with excitatory and inhibitory mechanisms used to affect the activation levels of such representations. Bottom-up evidence provides excitatory input, and inhibition from phonetically similar representations leads to lexical competition. In such a system, long words should produce stronger lexical activation than short words, for 2 reasons: Long words provide more bottom-up evidence than short words, and short words are subject to greater inhibition due to the existence of more similar words. Four experiments provide evidence for this view. In addition, reaction-time-based partitioning of the data shows that long words generate greater activation that is available both earlier and for a longer time than is the case for short words. As a result, lexical influences on phoneme identification are extremely robust for long words but are quite fragile and condition-dependent for short words. Models of word recognition must consider words of all lengths to capture the true dynamics of lexical activation. (PsycINFO Database Record (c) 2010 APA, all rights reserved)     

基于承包商预期收益不变的不平衡报价模型

在招标实践中,通常采用最低价中标原则,使得投标人不得不压低其投标价格。基于承包商预期收益不变的不平衡报价模型,是在“工程量清单报价”的条件下,考虑到施工中工程量的变化及施工顺序的影响,体现了资金的时间价值,在保持承包商预期收益不变的前提下,通过调整各分项工程的单价,来降低工程报价,以增加中标机会而建立的。所建立的模型简单,易于操作,并配以具体的工程实例,通过计算机求得其最优解,可供承包商投标报价时参考。     

针对不同地质目标的叠前时间偏移成像解释评价

随着计算机硬件和地震勘探成像技术的发展，叠前时间偏移正逐步替代常规的NMO加DMO加叠后时间偏移成为地震数据成像处理方法的主流。但对于不同的地质目标，叠前时间偏移的成像效果是否优于常规NMO加DMO加叠后时间偏移的成像效果呢？为此，从地震数据成像处理方法、处理流程和处理参数等方面进行了讨论，并基于某地区三维数据常规处理结果和叠前时间偏移处理结果，针对不同地质目标进行了剖析与评价。认为：叠前时间偏移成像的垂向分辨率较常规处理明显降低，但对于空间波阻抗变化明显的河流和断层，叠前时间偏移成像的空间分辨率要高于常规处理；对于小于1／4波长的叠置薄储层，叠前时间偏移成像的垂向和空间分辨率低于常规处理结果。     

涡轮搅拌桨反应器混合过程的数值计算

利用CFD方法计算单层涡轮反应器搅拌槽内流体混合过程的速度场和浓度场,研究物料在搅拌槽内的混合过程,以及不同监测点对混合时间的影响。结果表明,搅拌槽内物料的混合主要受槽内流体的流动形式所影响;混合时间的长短与监测点位置有关;在搅拌桨的桨叶附近进行监测所得到的混合时间较短,在液面附近进行监测所得的混合时间较长。在实际生产和试验中,应注意对监测点位置的选取。     

Cu基络合物催化甲醇液相氧化羰化反应

针对甲醇液相氧化羰基化法合成碳酸二甲酯(DMC)工艺,开发了新型Cu基络合催化剂(CuB rnLm)。对CuB rnLm催化剂的活性及其稳定性进行了研究。实验结果表明,采用该催化剂,甲醇转化率和DMC选择性较高;元素价态和物质结构分析表明,CuB rnLm催化剂循环使用5次后仍保持较好的稳定性。采用正交设计和中心响应曲面法设计实验,并使用S tatistica软件进行统计分析,寻求出反应的主要影响因素,并得到优化的工艺条件:反应温度100~110℃、反应压力3.0~3.5M Pa、反应时间4~6h、CuB rnLm催化剂质量浓度(以甲醇的体积计)0.15~0.20g/mL。在此工艺条件下,甲醇转化率可达23%以上,DMC的选择性为96%~98%。