On upgrading the numerics in combustion chemistry codes

A method of updating and reusing legacy FORTRAN codes for combustion simulations is presented using the DAEPACK software package. The procedure is demonstrated on two codes that come with the CHEMKIN-II package, CONP and SENKIN, for the constant-pressure batch reactor simulation. Using DAEPACK generated code, analytical derivative calculations, sparsity pattern information, and hidden discontinuity information can be obtained for the models of interest. This information can be easily integrated with different solvers giving the modeler great flexibility in selecting the best solution procedure. Using the generated code, the CONP code was connected to three different solvers, and the SENKIN code was connected to two different solvers. The effect of model formulation, analytical derivatives, sparsity, and sensitivity equation solution method were analyzed for three large kinetic mechanisms for methane, acetylene, and n-heptane. For the n-heptane model, with 544 species and 2446 reactions, a factor of 10-speed improvement over the original solution procedure was found using analytical derivatives and sparse linear algebra. For sensitivity calculations, for a small number of parameters, a factor of 55 improvement over the original solution procedure was found for the n-heptane problem. Upon closer examination of results, no one method is found to always be superior to other methods, and selection of the appropriate solution procedure requires an examination of the specific kinetic mechanism, which is easily conducted using DAEPACK generated code.     

The validity of the Gammarus:Asellus ratio as an index of organic pollution: abiotic and biotic influences.

In freshwaters. Gammarus spp. are more sensitive to organic pollution than Asellus spp. and the relative abundance of the two taxa has been proposed as a pollution index. We tested the validity of this by examining the relationship between the Gammarus: Asellus (G : A) ratio and (1) a suite of physico-chemical variables. (2) established biotic (average score per taxon, ASPT) and richness (species richness (S) and Ephemeroptera, Plecoptera and Trichoptera families richness (EPT family richness)) indices generated from the macroinvertebrate community. In addition, we investigated a suspected biotic interaction, predation, between Gammarus and Asellus. Both univariate and multivariate analyses showed that the G: A ratio was sometimes responsive to changes in parameters linked to organic pollution, such as BOD5 and nitrate levels. However, the G : A ratio also appeared responsive to variables not directly linked to organic pollution, such as conductivity and distance from source. There were significant positive correlations among the G : A ratio and the ASPT, S and EPT, indicating that changes in the relative abundances of Gammarus and Asellus were reflected in changes in the pollution sensitivity and richness of the wider macroinvertebrate community. A laboratory experiment revealed significant predation of Asellus aquaticus juveniles by Gammarus duebeni celticus adults, but no reciprocal predation. We propose that the G: A ratio may be useful as a crude measure of organic pollution that could supplement more complex indices in a multimetric approach to pollution monitoring or be used for monitoring individual sites, where a simple technique is required for monitoring purposes over a period of time. Also, we urge recognition of the possible role of biotic interactions among taxa used in the generation of pollution indices.     

Review of Elements of episodic memory.

Reviews the book, Elements of episodic memory by Endel Tulving (1983). Those of us who have followed Tulving's investigations in the somewhat fragmented form of journal articles are very grateful to have his ideas encapsulated, elaborated, and elegantly expounded in his Elements of episodic memory. Tulving spends the initial third of the book driving home the evidence that the distinction between episodic and semantic memory is not just that episodic is time-lagged and semantic is not: it is more far-ranging, and his new work on amnesia is leading to the conclusion that for some forms of this disorder either type of memory may be attacked but not necessarily both. The first vista that opens from Tulving's vantage point is that "systems" and "schemata" are collections of connections that derive a certain autonomy from being only loosely connected to other collections. The second vista that emerges is a psychology in which the use of numbers is rich and strange. A third vista that opens up is shielded at first by a spectre of opposition. The spectre seizes on the passage on "free radicals," in which Tulving claims that certain thoughts cannot be unambiguously assigned to either episodic or semantic memory. Perhaps the most heartening aspect of this book is that Tulving could never have written this monograph without the foundations of his experiments. It is a great relief to see experimentation validated in so invigorating a form. Nevertheless, the most difficult chapters of the book, on recognition and recall, are built on experimental findings that are not yet properly understood. I am glad Tulving did not delay in writing this book until he felt more secure about the questions raised in these last chapters: the work thereby remains a challenge rather than a fait accompli. (PsycINFO Database Record (c) 2010 APA, all rights reserved)     

Soft-spring nonlinear vibrations of antisymmetrically laminated rectangular plates

This paper deals with the effects of initial geometric imperfections and in-plane boundary conditions on the large-amplitude vibration behavior of angle- and cross-ply rectangular thin plates. It is found that the presence of imperfection amplitudes of the order of only half the total laminated-plate thickness may significantly raise the vibration frequencies and change the large-amplitude vibration behavior from the well-known hard-spring to soft-spring behavior. The effects of fibre angles and bending-stretching coupling for angle-ply plates and Young's moduli ratios and number of layers for antisymmetric cross-ply plates are examined.     

亚洲电力改革:孰是孰非?

电力市场化是全球电力工业都在热烈讨论和积极探索的热点课题 ,在中国电力市场化改革的今天 ,尤其具有重要的理论和实践意义。 2 0 0 2年 5月 1 3日至 1 8日 ,由清华港大深圳电力系统研究所主办的“电力市场新进展高级研讨会”在深圳清华大学研究院举行。在研讨会上 ,与会专家分别就电力市场研究和实践中的若干问题发表了演讲。本刊将主要内容摘录、汇编成文 ,奉献给大家 ,以便广大读者对电力市场的研究动态有比较全面的了解。在此 ,衷心感谢参加“电力市场新进展研讨会”的各位专家给予的大力支持和帮助 ,特别感谢香港大学 /浙江大学文福拴博士、香港大学严正博士在本文的摘编过程中提供的技术指导和具体帮助。     

Insiders, outsiders, and efficiency in a National Science Foundation panel.

Assessed the efficiency of the peer review system during 3 National Science Foundation panel meetings held in 1982 and 1983. During these meetings, nearly 200 proposals received almost 1,400 reviews from "insiders" (panel members) and "outsiders" (ad hoc reviewers). Although the ratio of ad hoc time to panelist time was about 2:1, ad hoc reviewers' quantitative ratings had scant independent influence on final proposal ratings. Nevertheless, it may be that ad hoc reviewers provided crucial qualitative information, acting more as expert witnesses than as judges. The outcome of about a third of the proposals (the very good and the very poor) could be reliably predicted by independent panelist assessments that occurred before the panel meetings. (PsycINFO Database Record (c) 2010 APA, all rights reserved)     

Control of free-radical emulsion polymerization of methyl methacrylate by oxygen injection. II. Experimental study

Oxygen injection has been proposed and experimentally demonstrated as an effective control measure for limiting the rate of heat release and altering the rate of polymerization in emulsion processes. A detailed mathematical model has been previously developed to describe the system behavior with and without oxygen injection. A simple lab scale apparatus was constructed and run extensively. Only trace quantities of oxygen are needed to inhibit the reaction completely. The facile response makes this method attractive for fast temperature control. However, because of the rapid penetration of dissolved oxygen into the polymer particles, growing radical chains are terminated prematurely, lowering product molecular weights. To minimize this detrimental effect, pulsed oxygen control is used and extensive experimental work was performed to determine the effects of controller set points on molecular weight. Moderate oxygen flows and moderate set point temperatures are found to give the optimal response without significant lowering of the final molecular weight. Injected quantities agree well with the order-of-magnitude sparging calculations needed to completely stop initiation. However, complete agreement between model simulations and experimental results was not reached due to an unmeasured loss of monomer from the reactor. Chain transfer to monomer is found to be important in modeling the polymer molecular weight. It has, however, a negligible effect on the reaction rate.     

“Metallisation” of oxide surfaces observed by in situ high-resolution electron microscopy

Intense irradiation (25–40 A/cm²) at intermediate energy (400 keV) has been found to cause “metallisation” of tungsten oxide and titanium niobate crystal surfaces. The possible mechanisms and the likely consequences for high-resolution imaging of clean oxide surfaces are briefly discussed.     

Synthesis of N,N-diethyl-N-{4-[(E)-(4-nitrophenyl)diazenyl]phenyl}amine via in situ diazotisation and coupling in supercritical carbon dioxide

The synthesis of azo dyes via a conventional aqueous-based diazotisation and coupling reaction requires the use of relatively high concentrations of mineral acids, which leads to high electrolyte concentrations in wastewater. Reported in this paper is an environmentally benign one-pot method for the synthesis of a nonionic azo dye, N,N -diethyl- N -{4-[( E )-(4-nitrophenyl)diazenyl]phenyl}amine, in supercritical carbon dioxide without using a mineral acid. The product yield increased significantly with temperature, with 91% theoretical yield afforded at 80 °C. The pressure of the system had little influence on product yield.