Implementação paralelizada de métodos de resolução de sistemas algébricos na simulação de reservatórios de gás

Desde a década de 1960, devido à pertinência para a indústria petrolífera, a simulação numérica de reservatórios de petróleo tornou-se uma ferramenta usual e uma intensa área de pesquisa. O principal objetivo da modelagem computacional e do uso de métodos numéricos, para a simulação de reservatórios de petróleo, é o de possibilitar um melhor gerenciamento do campo produtor, de maneira que haja uma maximização na recuperação de hidrocarbonetos. Este trabalho tem como objetivo principal paralelizar, empregando a interface de programação de aplicativo OpenMP (Open Multi-Processing), o método numérico utilizado na resolução do sistema algébrico resultante da discretização da equação que descreve o escoamento monofásico em um reservatório de gás, em termos da variável pressão. O conjunto de equações governantes é formado pela equação da continuidade, por uma expressão para o balanço da quantidade de movimento e por uma equação de estado. A Equação da Difusividade Hidráulica (EDH), para a variável pressão, é obtida a partir deste conjunto de equações fundamentais, sendo então discretizada pela utilização do Método de Diferenças Finitas, com a escolha por uma formulação implícita. Diferentes testes numéricos são realizados a fim de estudar a eficiência computacional das versões paralelizadas dos métodos iterativos de Jacobi, Gauss-Seidel, Sobre-relaxação Sucessiva, Gradientes Conjugados (CG), Gradiente Biconjugado (BiCG) e Gradiente Biconjugado Estabilizado (BiCGStab), visando a uma futura aplicação dos mesmos na simulação de reservatórios de gás. Ressalta-se que a presença de heterogeneidades na rocha reservatório e/ou às não-linearidades presentes na EDH para o escoamento de gás aumentam a necessidade de métodos eficientes do ponto de vista de custo computacional, como é o caso de estratégias usando OpenMP.

Maryland commercial fisheries statistics, 1951-1952

This bulletin is the third of a series begun in 1948, presenting detailed data on the commercial fin-fishery of Maryland. A full description of the techniques of collection and tabulation were included in the first bulletin [Publication 69], and inasmuch as identical procedures have been employed throughout the program, further mention of methods is not made. As in past years, records were received on a voluntary basis from approximately 94% of all licensed fishermen. Most of the records were submitted in the form of weekly or monthly summaries. The statistics set forth were derived from records obtained only from licensed commercial fishermen and contain no data pertaining to small unlicensed units of fishing gear, or to the sport fishery.

MDNR-NOAA trawl standardization study

Long-term living resource monitoring programs are commonly conducted globally to evaluate trends and impacts of environmental change and management actions. For example, the Woods Hole bottom trawl survey has been conducted since 1963 providing critical information on the biology and distribution of finfish and shellfish in the North Atlantic (Despres-Patango et al. 1988). Similarly in the Chesapeake Bay, the Maryland Department of Natural Resources (MDNR) Summer Blue Crab Trawl survey has been conducted continuously since 1977 providing management-relevant information on the abundance of this important commercial and recreational species. A key component of monitoring program design is standardization of methods over time to allow for a continuous, unbiased data set. However, complete standardization is not always possible where multiple vessels, captains, and crews are required to cover large geographic areas (Tyson et al. 2006). Of equal issue is technological advancement of gear which serves to increase capture efficiency or ease of use. Thus, to maintain consistency and facilitate interpretation of reported data in long-term datasets, it is imperative to understand and quantify the impacts of changes in gear and vessels on catch per unit of effort (CPUE). While vessel changes are inevitable due to ageing fleets and other factors, gear changes often reflect a decision to exploit technological advances. A prime example of this is the otter trawl, a common tool for fisheries monitoring and research worldwide. Historically, trawl nets were constructed of natural materials such as cotton and linen. However modern net construction consists of synthetic materials such as polyamide, polyester, polyethylene, and polypropylene (Nielson et. al. 1983). Over the past several decades, polyamide materials which will be referred to as nylon, has been a standard material used in otter trawl construction. These trawls are typically dipped into a latex coating for increased abrasion resistance, a process that is referred to as “green dipped.” More recently, polyethylene netting has become popular among living resource monitoring agencies. Polyethylene netting, commonly known as sapphire netting, consists of braided filaments that form a very durable material more resistant to abrasion than nylon. Additionally, sapphire netting allows for stronger knot strength during construction of the net further increasing the net’s durability and longevity. Also, sapphire absorbs less water with a specific gravity near 0.91 allowing the material to float as compared to nylon with specific gravity of 1.14 (Nielson et. al. 1983). This same property results in a light weight net which is more efficient in deployment, retrieval and fishing of the net, particularly when towing from small vessels. While there are many advantages to the sapphire netting, no comparative efficiency data is available for these two trawl net types. Traditional nylon netting has been used consistently for decades by the MDDNR to generate long term living resource data sets of great value. However, there is much interest in switching to the advanced materials. In addition, recent collaborative efforts between MDNR and NOAA’s Cooperative Oxford Laboratory (NOAA-COL) require using different vessels for trawling in support of joint projects. In order to continue collaborative programs, or change to more innovative netting materials, the influence of these changes must be demonstrated to be negligible or correction factors determined. Thus, the objective of this study was to examine the influence of trawl net type, vessel type, and their interaction on capture efficiency.

Temporal trends in reef fish assemblages inside Virgin Islands National Park and around St. John, U.S. Virgin Islands, 1988-2006

This report is a result of long-term fish monitoring studies supported by the National Park Service (NPS) at the Virgin Islands National Park since 1988 and is now a joint NPS and NOAA collaboration. Reef fish monitoring data collected from 1988 to 2006 within Virgin Islands National Park (VINP) and adjacent reefs around St. John, U.S. Virgin Islands (USVI) were analyzed to provide information on the status of reef fishes during the monitoring period. Monitoring projects were initiated by the National Park Service (NPS) in the 1980s to provide useful data for evaluation of resources and for development of a long-term monitoring program. Monthly monitoring was conducted at two reef sites (Yawzi Point and Cocoloba Cay) starting in November 1988 for 2.5 years to document the monthly/seasonal variability in reef fish assemblages. Hurricane Hugo (a powerful Category 4 storm) struck the USVI in September 1989 resulting in considerable damage to the reefs around St. John. Abundance of fishes was lower at both sites following the storm, however, a greater effect was observed at Yawzi Point, which experienced a more direct impact from the hurricane. The storm affected species differently, with some showing only small, short-term declines in abundance, and others, such as the numerically abundant blue chromis (Chromis cyanea), a planktivorous damselfish, exhibiting a larger and longer recovery period. This report provides: 1) an evaluation of sampling methods, sample size, and methods used during the sampling period, 2) an evaluation of the spatial and temporal variability in reef fish assemblages at selected reef sites inside and outside of VINP, and 3) an evaluation of trends over 17 years of monitoring at the four reference sites. Comparisons of methods were conducted to standardize assessments among years. Several methods were used to evaluate sample size requirements for reef fish monitoring and the results provided a statistically robust justification for sample allocation.

Bayesian two-sample tests

In this paper, we present two classes of Bayesian approaches to the two-sample problem. Our first class of methods extends the Bayesian t-test to include all parametric models in the exponential family and their conjugate priors. Our second class of methods uses Dirichlet process mixtures (DPM) of such conjugate-exponential distributions as flexible nonparametric priors over the unknown distributions.

Value roadmapping: A structured approach for early stage technology investment decisions

Deciding to invest in early stage technologies is one of the most important tasks of technology management and arguably also the most uncertain. It assumes a particular significance in the rise of technology companies in emerging economies, which have to make appropriate investment decisions. Technology managers already have a wide range of methods and tools at their disposal, but these are mostly focussed on quantitative measures such as discounted cash flow and real options techniques. However, in the early stages of technology development there seems to be a lot of dissatisfaction with these techniques as there appears to be a lack of accuracy with respect to the underlying assumptions that these models require. In order to complement these models this paper will discuss an alternative approach that we call value road-mapping. By adapting roadmapping techniques the potential value streams of early stages technologies can be plotted and hence a clearer consensus based picture of the future potential of new technologies emerges. Roadmapping is a workshop-based process bringing together multifunctional perspectives, and supporting communication in particular between technical and commercial groups. The study is work in progress and is based on a growing number of cases. (c) 2006 PICMET.

The mobile arm support project as a test-bed for design research at the Cambridge EDC

A host of methods and tools to support designing are being developed in Cambridge EDC. These range from tools for design management to those for the generation and selection of design ideas, layouts, materials and production processes. A project, to develop a device to improve arm mobility of muscular dystrophy sufferers, is undertaken as a test-bed to evaluate and improve these methods and tools as well as to observe and modify its design and management processes. This paper presents the difficulties and advantages of using design methods and tools within this rehabilitation design context, with special focus on the evolution of the designs, tools, and management processes.

Possible fish stock size assessment and available production survey as developed on Lake Kariba

This paper is an outline of methods practically useful for the evaluation of ichthyomass, fish abundance, available production and yield in lakes and rivers. Terms and concepts are reviewed, and difficulties stemming from the use of "predetermined" mathematical models are discussed. Sampling with toxicants in blocked-off areas was found to be the most practical method and is described in detail. For the total estimation of ichthyomass the spatial ranges of fish distribution must be determined; the results of echo-sounding surveys for horizontal, vertical, topographical, seasonal and diel fish distribution are given. Some of the most important methods for computing available production are listed and applied to Lake Kariba as an example. In particular, a method based on the balance between the main predator and prey species is reviewed. The ecological production survey concept is finally stressed as applied to multispecies fish stocks.

Progressive Site Modelling with Videogrammetry

A number of methods are commonly used today to collect as-built spatial data (time-of-flight, visual triangulation, etc.). However, current practice lacks a solution that is accurate, automatic and cost-efficient at the same time. LiDARmethods generate high resolution depth information, but the significant cost of the equipment counteracts their benefits for the majority of construction projects. This is true especially for small projects, where projected savings hardly justify adopting this technology. Vision-based technologies, such as videogrammetry, is potentially able to address the existing limitations.

Ultrashort pulse generation in diode laser devices

The generation of ultrashort optical pulses by semiconductor lasers has been extensively studied for many years. A number of methods, including gain-/Q-switching and different types of mode locking, have been exploited for the generation of picosecond and sub-picosecond pulses [1]. However, the shortest pulses produced by diode lasers are still much longer and weaker than those that are generated by advanced mode-locked solid-state laser systems [2]. On the other hand, an interesting class of devices based on superradiant emission from multiple contact diode laser structures has also been recently reported [3]. Superradiance (SR) is a transient quantum optics phenomenon based on the cooperative radiative recombination of a large number of oscillators, including atoms, molecules, e-h pairs, etc. SR in semiconductors can be used for the study of fundamental properties of e-h ensembles such as photon-mediated pairing, non-equilibrium e-h condensation, BSC-like coherent states and related phenomena. Due to the intrinsic parameters of semiconductor media, SR emission typically results in the generation of a high-power optical pulse or pulse train, where the pulse duration can be much less than 1 ps, under optimised bias conditions. Advantages of this technique over mode locking in semiconductor laser structures include potentially shorter pulsewidths and much larger peak powers. Moreover, the pulse repetition rate of mode-locked pulses is fixed by the cavity round trip time, whereas the repetition rate of SR pulses is controlled by the current bias and can be varied over a wide range. © 2012 IEEE.

Structuring technological information for technology roadmapping: Data mining approach

Most research on technology roadmapping has focused on its practical applications and the development of methods to enhance its operational process. Thus, despite a demand for well-supported, systematic information, little attention has been paid to how/which information can be utilised in technology roadmapping. Therefore, this paper aims at proposing a methodology to structure technological information in order to facilitate the process. To this end, eight methods are suggested to provide useful information for technology roadmapping: summary, information extraction, clustering, mapping, navigation, linking, indicators and comparison. This research identifies the characteristics of significant data that can potentially be used in roadmapping, and presents an approach to extracting important information from such raw data through various data mining techniques including text mining, multi-dimensional scaling and K-means clustering. In addition, this paper explains how this approach can be applied in each step of roadmapping. The proposed approach is applied to develop a roadmap of radio-frequency identification (RFID) technology to illustrate the process practically. © 2013 © 2013 Taylor & Francis.

软件需求工程--方法及工具评述

文中从需求工程的基本概念和研究内容出发，简单介绍了需求工程生命周期和需求规范等概念；比较全面地总结了现有的有代表性的需求工程开发方法和工具，对其中一些重要的方法及工具作了分类和评述，并指出了需求工程方法和工具开发与实际领域相脱离等不足之处；最后探讨了需求工程研究现状中存在的一些主要问题及一些相应的解决方案

structuring and manipulating hand-drawn concept maps

Concept maps are an important tool to knowledge organization,representation, and sharing. Most current concept map tools do not provide full support for hand-drawn concept map creation and manipulation, largely due to the lack of methods to recognize hand-drawn concept maps. This paper proposes a structure recognition method. Our algorithm can extract node blocks and link blocks of a hand-drawn concept map by combining dynamic programming and graph partitioning and then build a concept-map structure by relating extracted nodes and links. We also introduce structure-based intelligent manipulation technique of hand-drawn concept maps. Evaluation shows that our method has high structure recognition accuracy in real time, and the intelligent manipulation technique is efficient and effective.

氮杂环化合物的绿色合成研究

氮杂环化合物大多数都是具有生理活性的物质，例如喹喔啉化合物与苯二氮卓类化合物，因此研究氮杂环化合物骨架的构建方法具有一定意义。绿色化学的迅速发展迫切要求化学家发展清洁、经济和环境较友好条件下的有机合成方法。其中，水相反应与绿色固体酸催化剂的使用都是实现绿色有机合成的重要途径，它们非常具有潜力，近些年受到了广泛关注。本论文的主要工作是围绕水相及固体酸催化条件下两类具有生物活性的含氮杂环小分子的合成方法而开展的，具体包括以下内容： 1. 研究和探索出了两类绿色固体酸催化剂蒙脱土（Mont. K-10）和杂多酸(H4SiW12O40), 在水相条件下成功合成出喹喔啉化合物的有效方法。两个催化体系都以无毒无公害的水作反应溶剂，实验条件温和，操作安全简便，反应速度快，底物普适性强，产率高，且产物易分离收集。两类固体酸催化剂，对设备腐蚀性小，可回收循环使用，对环境无公害; 蒙脱土催化大部分底物能得到当量产率的产物，硅钨酸催化催化剂负载量小。 2. 实现了无溶剂条件下，以杂多酸（H3PW12O40）作催化剂，高效合成1,5-苯二氮卓衍生物的合成方法。该催化体系具有以下一些优势：实验条件温和，反应速度较快，底物普适性良好，产物易分离收集，反应过程中没有加入其它有机溶剂，绿色环保。 ‘Green Chemistry’ is currently a major issue of modern chemistry. It is widely acknowledged that there is a growing need for more environmentally acceptable processes in the chemical industry. New green catalysts and green reaction media are the important and efficient strategies in green chemistry. New green catalysts include solid acid catalysts, solid base catalysts, metal catalysts not only possess higher activity and selectivity, but also are easily separated from reaction system. Green reaction media include water, supercritical fluids and ionic liquids can not only substitute traditional toxic and harmed organic solvents, but also improve reaction activity and selectivity. Meanwhile water is a promising green reaction medium for use in modern chemistry because it has a number of advantages such as the cheapest solvent available on earth, being non-hazardous and non-toxic to the environment. Solid acids had also attracted much attention for realizing green chemistry due to their unique acidity, high activity and efficiency as organic catalysts. Nitrogen-containing heterocyclic compounds of different ring sizes such as quinoxaline and benzodiazepine are the important pharmacologically active compounds. Due to the wide biological significance of these compounds, the synthesis of these types of compounds have received a great deal of attention. Despite the large availability of methods to construct nitrogen-containing heterocyclic compounds, there is still a strong need to further explore green methods to efficiently and safely synthesize these compounds. Thus, we aim at developing efficient and green methodology for the synthesis of quinoxaline and benzodiazepine carried out under water condition with solid acid catalysts. The contents of this dissertation are listed as the following: 1. We have developed two catalytic systems for the synthesis quinoxaline via the condensation of an aryl 1,2-diamine with a 1,2-diketone compound in the presence of Mont. K-10 or H4SiW12O40 as a catalyst in water solvent. Both of these two methods can be applied to wide range of substrates, tolerating aryl 1,2-diamine/1,2-diketone with the electron donating/drawing substituent. Operational simplicity, the ambient conditions, use of an economically convenient catalyst, use of water as a desirable solvent, high yields and short reaction times are the key features of these two protocols. 2. We developed a convenient and efficient protocol for the synthesis of a variety of 1,5-benzodiazepines in high yields via condensation of aryl o-phenylenediamine derivatives with a variety of ketones using H3PW12O40 as a green recyclable and heterogeneous catalyst under solvent-free condition. The simple experiment procedure combined with ease of recovery and reuse of this catalyst make this procedure quite simple, more convenient and environmentally benign.

硫手性有机小分子催化剂的设计、合成及其在不对称亚胺氢转移还原中的应用

过去十多年，世界手性药物市场需求迅速增长，手性制药工业的发展壮大，已经引起了各国政府、学术界，特别是企业界的高度重视。手性药物中含有大量的手性胺单元，因此研究高效构建手性胺结构单元的方法具有重要的意义和实用价值，而亚胺的不对称还原是合成手性胺最便捷的方法。 手性有机小分子路易斯碱催化三氯氢硅不对称还原亚胺是最近几年才发展起来的一类新的亚胺不对称还原方法。尽管在对映选择性和底物适用范围等方面已经获得了突破性的进展，但是，高性能的路易斯碱催化剂仅局限于N-甲酰氨基酸酰胺一种类型，而且其底物适用范围和催化活性仍不够理想。因此，发展新型催化剂很有必要。 手性硫氧化物作为手性诱导剂的应用已经有数十年的时间，广泛应用在不对称合成及天然产物的全合成中。理论上，硫氧结构单元也可以作为路易斯碱，对硅烷类试剂进行活化，而且硫氧键还有碳氧键难以比拟的先天优势，硫原子自带手性特征，在反应过程中，手性中心离反应位点更近，因此，从手性硫氧化合物出发，极有可能开发出新的高效手性路易斯碱催化剂。最近，Kobayashi和Khiar在亚胺的不对称烯丙基化反应中用手性亚砜活化烯丙基三氯硅烷，获得了较好的ee值，但反应中手性亚砜的用量都需要化学计量以上，因此还不能算做真正意义上的催化剂，进一步的文献调研也未见真正意义上的硫手性有机小分子催化剂。 本文首次成功将硫手性亚磺酰胺衍生物应用于催化三氯氢硅对亚胺的不对称还原，在经过对亚磺酰胺衍生物的多次结构优化，开发出了合成容易，催化活性和立体选择性都很优良，并且有着前所未有的底物普适性的新型手性路易斯碱催化剂。 我们首先尝试将商品化的20mol%叔丁基亚磺酰胺和对甲基亚磺酰胺直接用作催化剂催化三氯氢硅对亚胺的不对称还原，尽管仅获得中等的收率和很低的对映选择性，但证明我们的设计思路是可行的。在此基础上，我们以叔丁基亚磺酰胺为原料和基本骨架，设计合成了一系列的亚磺酰胺类催化剂，通过对催化剂的结构改造，发现当催化剂中存在较强酸性的酚羟基时，催化效果得到大幅提高。随着对催化剂的进一步结构优化，我们找到了一个结构简单，催化效果还不错的催化剂，经过反应条件优化以后，催化反应的收率最高能达到98%，对映选择性最高达93%，并且这个催化剂的底物适应范围比之前报道的催化剂都要广泛。针对酚羟基在催化剂中的重要作用，我们进行了仔细的机理研究后发现，在催化反应中，催化剂极有可能是通过双分子机理去活化三氯氢硅从而实现不对称催化的，而酚羟基的作用就是通过分子间氢键促进双分子催化剂与三氯氢硅的络合。受此启发，我们设计了一系列具有双齿结构的催化剂，通过对双齿催化剂的结构优化，最终筛选出了一个结构更加简单，但催化效果更好的双齿催化剂。10mol%该催化剂催化亚胺还原最高获得95%的收率和96%的ee值。这一结果也进一步验证了我们先前对催化剂机理的推测。 随后，我们还尝试将这些催化剂用于二级胺和芳香酮的直接还原胺化反应中，虽然能获得不错的收率，但对映选择性却很差，我们对反应条件进行了仔细的摸索，仍然没有获得突破。但这些实验为进一步研究二级胺和酮的不对称直接还原胺化反应奠定了良好的基础。 In the past decade, the rapid growth of the global chiral drug market and the significant development of the chiral pharmaceutical industry have attracted a great deal of attention from government, academia and enterprises. Chiral amine is an important structural motif of chiral drugs. Therefore, development of methods for the construction of this motif is of great importance. Catalytic enantioselective reduction of imines represents one of the most straightforward and efficient methods for the preparation of chiral amines. The chiral Lewis base organocatalysts promoted asymmetric reduction of imines by HSiCl3 has recently achieved significant advancements. Although big breakthroughs have been made in terms of substrate generality and enantioselectivity, the highly effective catalysts are limited to N-formyl amino acid amides, of which the efficiency and substrate scope remain unsatisfactory. Therefore, development of novel organocatalysts for this transformation is in great demand. Chiral sulfoxides have been well established as efficient and versatile stereocontrollers and have been extensively used in asymmetric synthesis and total synthesis of natural products. The S=O structural motif of sulfoxide could also behave as Lewis base activator for cholorsilane reagents, which, moreover, could be even better than caboxamide considering that the sulfur atom is chiral and thus the chirality center is closer to the reaction center. There exist great potentials that highly effective novel Lewis base organocatalysts could be developed starting from S-chiral sulfoxides. Recently, several S-chiral sulfoxides were reported by Kobayashi and Khiar to be used as Lewis base catalyst to activate allyltrichlorosilanes in asymmetric allylations and good enantioselectivities were obtained. However, these S-chiral sulfoxides were all used at a more than stoichiometric amount and were thus not authentically catalytic. A careful literature survey further revealed that there has been so far no S-chiral organocatalyst available. In this study, we, for the first time, successfully used S-chiral sulfinamides as Lewis base organocatalysts for the asymmetric reduction of ketimines by HSiCl3. After several rounds of structural optimization, we developed the first example of highly effective S-chiral organocatalysts, which promoted the asymmetric reduction of ketimines with trichlorosilane in high yield and excellent enantioselectivity with unprecedented substrate spectrum. In our initial practice, we examined 20mol% of the commercially available (R)-tert-butanesulfinamide and (S)-toluenesulfinamide as the catalyst in the hydrosilylation of ketimine. Although the product was only furnished in moderate yield and low ee, these results demonstrated that our strategy of catalyst design is on the right way. Next, starting from chiral tert-butanesulfinamide, we prepared a series of tert-butanesulfinamide derivatives via simple reductive amination and examined their catalytic efficiencies in the reduction of ketimine. We found that the catalyst bearing a phenolic hydroxyl group exhibited good reactivity and enantioselectivity. On the basis of which, we obtained a structurally simple and highly effective novel organocatalyst, affording the product in 98% yield and 93% ee under optimal reaction conditions. After careful exploration on the role of phenolic hydroxyl group in the catalyst, we speculated that two molecules of the catalyst be involved in the course of reaction, of which the assembly around the silicon center is facilitated by the intermolecular hydrogen bonding through the phenolic hydroxyl groups. Thus, we incorporated two units of sulfonamide into one molecular and prepared a new type of bissulfinamides organocatalysts and examined their catalytic efficiencies in the reduction of ketimine. After optimizing the structure of these catalysts, we finally obtained a novel organocatalyst which has even simpler molecular structure but showed better efficacies, 10mol% of which afforded up to 97% yield and 96% ee under optimal reaction conditions. These results further proved our speculation about the catalytic mechanism. We also examined the newly developed S-chiral organocatalysts in direct asymmetric reductive amination of secondary amines with aromatic ketone. The product was furnished in good yield but in low ee. No better results could be obtained despite our intense opimization efforts. Nevertheless, these experiments laid excellent foundations for eventual success.