Hydrogenation of brown coal: 6. Reactions of coal-derived products with hydrogen in the presence of metal-based catalysts

The product from the hydrogenation of an iron-tin treated Morwell, Victorian coal was separated into a number of fractions by solvent separation. Each of these fractions (tetrahydrofuran-insoluble materials, asphaltols, asphaltenes and oils) was reacted separately with hydrogen in tetralin both with and without added catalysts. The effect of added catalyst and of temperature, pressure, time and solvent on the hydrocracking and repolymerization reactions is discussed. The interconvertibility of the brown coal-derived products is clearly established, reinforcing the importance of incorporating reversibility of reactions in mechanistic models developed to describe coal hydroliquefaction.     

Intrinsic Volume Changes of Self-propagating Synthesis

The final product(s) of self-propagating synthesis are shown to be intrinsically denser than the starting reactants. This behavior results in intrinsic decreases in the sample volume that increase with both the heat of reaction and the adiabatic combustion temperature. Forming of liquid product(s) during reaction simply adds another intrinsic source of porosity, i.e. changes in volume on product solidification. Thus, obtaining fully dense bodies from self-propagating synthesis requires a mechanism for reducing porosity, e.g. hot-pressing.     

Modeling and optimization of fringe capacitance of nanoscale DGMOS devices

We analyze the impact of gate electrode thickness and gate underlap on the fringe capacitance of nanoscale double-gate MOS (DGMOS) transistors. We propose an analytical fringe capacitance model considering gate underlap and finite source/drain length. A comparison with the simulation results show that the model can accurately estimate the fringe capacitance of the device. We show that an optimum gate underlap can significantly reduce the fringe capacitance resulting in higher performance and lower power consumption. Also, the effects of process variation in gate underlap devices are discussed. Simulation results on a three-stage ring oscillator show that with optimum gate underlap 32% improvement in delay can be achieved.     

System Operational Evaluation of Mine Monitoring Systems

In the testing of mine monitoring systems, a software package was developed for the mine monitoring test facility designed at West Virginia University. The software establishes delay times of sensor input to annunciation for single alarms and multiple simultaneous alarms. The alarm measurement techniques for the test fixture are described, as is the software developed to analyze and graph monitoring system response data. Also included is the analysis capability of the facility, the criteria for evaluating mine monitoring systems, and typical test data from a sample system.     

Atomistic simulations of the solubilization of single-walled carbon nanotubes in toluene

Solubilization of the armchair, metallic (10,10) single-walled carbon nanotubes (SWCNTs) in toluene is modeled using molecular dynamics simulations. Inter- and intra-molecular atomic interactions in the SWCNT + toluene system are represented using COMPASS (Condensed-phased Optimized Molecular Potential for Atomistic Simulation Studies), the first ab initio forcefield that enables an accurate and simultaneous prediction of various gas-phase and condensed-phase properties of organic and inorganic materials.The results obtained show that due to a significant drop in the configurational entropy of toluene, the solvation Gibbs free energy for these nanotubes in toluene is small but positive suggesting that a suspension of these nanotubes in toluene is not stable and that the nanotubes would fall out of the solution. This prediction is consistent with experimental observations.     

Sintering studies of nano-crystalline zinc oxide

Sintering and grain growth of nano-crystalline undoped ZnO has been studied in detail over a wide range of temperature and holding time. Below 800 °C, sintering of over 70% theoretical density is not observed, irrespective of particle size. At 900 °C for 6 h, the nano-crystalline sample sinters to 99% of theoretical density whereas the density for as received sample is 93% of theoretical density. However, at 1300 °C or higher, the densification is found to be much faster and after a few hours becomes independent of holding time. Grain growth studies reveal a similar feature of attaining saturation over holding time. The average saturated grain size is found to be ∼1.5 and ∼2.2 μm at 800 and 900 °C, respectively, while at 1300 °C or higher, it is in between 12 and 13 μm.     

Modeling and sensitivity analysis of fire emissions in southern Africa during SAFARI 2000

This paper uses three recently generated southern African satellite burned area products for the month of September 2000 in a sensitivity study of regional biomass burning emissions for a number of trace gases and particulates. Differences in the extent and location of areas burned among products generated from Moderate Resolution Imaging Spectroradiometer (MODIS), Systeme Pour l'Observation de la Terre (SPOT-VEGETATION), and Along Track Scanning Radiometer (ATSR-2) data are significant and result in different emissions estimates for woodland and grassland land cover types. Due to the different emission profiles in woodlands and grasslands, favoring relatively more products of incomplete combustion in woodlands compared with products of complete combustion in grasslands in the late dry season, these changes are not proportional to the differences in the burned area amounts. The importance of accurate burned area information not just in terms of the total area but also in terms of its spatial distribution becomes apparent from our modeling results. This paper highlights the urgent need for satellite data producers to provide accuracy assessments associated with satellite-derived products. Preferably, these accuracy data will be spatially explicit, or defined in a way that can be applied in a spatially explicit modeling context, to enable emissions uncertainties to be defined with respect to different landscape units in support of greenhouse gas emissions reporting.     

A family of lower- and higher-order transversal linearization techniques in non-linear stochastic engineering dynamics

Sample pathwise numerical integration of noise-driven engineering dynamical systems cannot generally be performed beyond a limited level of accuracy, especially when the noise processes are modelled using (filtered) white noises. Recently, a locally transversal linearization (LTL) strategy has been proposed by the author (Proc Roy Soc London A 2001; 457 :539–566) for direct integration of deterministic and stochastic non-linear dynamical systems. The present effort is focussed on a host of extensions along with detailed theoretical error analyses of the linearization approach, especially as applied to problems in non-linear stochastic engineering dynamics. Thus, to begin with, estimates of local and global error orders in the basic LTL scheme are obtained separately for the displacement and velocity vectors when the system is driven either by a set of additive noises or by an arbitrary combination of (independently evolving) additive and multiplicative noises. Following this, a new family of higher-order LTL schemes is proposed in order to improve upon the basic LTL method and the associated error orders are established. A stepwise implementation of the lower- and higher-order versions of the LTL method, along with certain computational aspects, is also outlined. The proposed schemes are numerically illustrated, to a limited extent, for a single degree-of-freedom (SDOF) and a two degree-of-freedom (TDOF) non-linear engineering systems under additive and/or multiplicative white noise excitations. Copyright © 2004 John Wiley & Sons, Ltd.     

Field observations on the occurrence of new indicators of disinfection efficiency

This paper summarizes studies on the presence of acid-fast and yeast organisms in wastewater and water treatment plants and in surface water. These organisms were found to satisfy three of Bonde's criteria for indicator organisms: presence whenever pathogens are likely to be present; resistance at least equal to that of pathogens; and lack of regrowth in the post-treatment environment. This, plus prior data, indicates that these organisms are at least as acceptable as indicators of disinfection efficiency than the coliform group.     

A dynamic programming method for building free algebras

We are interested in deciding if a given nonassociative polynomial h is an identity for a variety of nonassociative algebras. We present an algorithm for constructing a certain homomorphic image of a free nonassociative algebra which is sufficient to answer the question. The algorithm resembles dynamic programming in that the algebra is built by constructing a sequence of subspaces; the basis of each subspace is determined by the basis of previous subspaces. The number of arithmetic operations required to construct the algebra is bounded by a polynomial in the degree of h and the dimension of the resulting algebra.