PROBABILISTIC MODELLING OF LIGNIN LIQUEFACTION

The results of the thermal and catalytic reactions of lignin model compounds are used in the a priori prediction of its liquefaction. Lignin was defined probabilistically as an ensemble of single ring aromatics with substituents on each of their six ring positions. Elements in a substituent vector x¹, for each ring position i, were matched into all possible combinations to describe lignin. Initial number fractions, or probabilities, for each vector element were ascertained through inspection of lignin structural data. The reaction of lignins altered the probabilities within each substituent vector, and reaction products were also calculated by matching all combinations of vector elements for each ring position. Model compound results provided the identities and rates of change of vector elements.

This simulation of lignin liquefaction predicted the yields of permanent gases, aqueous liquids, single- and two-ring phenolic products, and a carbonaceous residue. The impact of the distribution of oligomeric sizes on catalyst effectiveness was probed.     

Operations and management of a campus packet network

The operation and management of the Kansas University Packet Switch Network (KUPSN),which provides interactive and file transfer services to its users, is discussed, focussing on the problems encountered and solutions developed. Areas of network management of particular concern are identified, and tools developed to deal with them are described. Management system integration and the evolution of problem-handling procedures are discussed     

Analytical investigation of factors influencing power systemstabilizers performance

Results of simulations, designed to illustrate the influence of power system stabilizers (PSS) on inter-area and local oscillations in interconnected power systems, are reported. It is shown that the PSS location and the voltage characteristics of the system loads are significant factors in the ability of a PSS to increase the damping of interarea oscillations. It is also shown that an interaction between modes in two distinct parts of a power system is possible, due to resonance, and that this might cause distortions in mode shape and participation factors     

Theoretical Investigation of Metal Cladding for Nanowire and Cylindrical Micropost Lasers

We investigate the transverse modal properties of cylindrical subwavelength metal-clad nanowire and micropost lasers via rigorous theoretical waveguide analysis, including the effects of finite thickness metal cladding and gain in the core. The results of this analysis show that air-metal surface guided TM₀₁ and some hybrid surface guided modes suffer less loss but are less confined to the core, while core-metal surface guided modes are better confined to the core but suffer greater loss. An increase in the thickness of the metal cladding reduces the loss of the core-metal surface guided modes. The modal gain and confinement of the metal-clad cavity are compared to an unclad cavity.     

Computer aided kinetic modeling with KMT and KME

The complexity of many chemical and refining reaction systems and the thus-derived tedious and time-consuming process of building the associated kinetic models have been major obstacles in the use of fundamental kinetics in the solution of chemical engineering problems. This review summarizes work aimed at removing theses obstacles. Our recent work that has led to the enhancement of the Kinetic Modeler's Toolbox (KMT) and the development of the Kinetic Model Editor (KME) presents an end-to-end solution to the kinetic modeling process, including automated feedstock modeling, reaction network construction, kinetic rate estimation, model programming, process system configurations, model customizations, compilations, model execution and results analysis.     

Factors affecting contrasting results between self-reported and performance-based levels of physical limitation

Molecular electrostatic potential (MEP) maps of certain 3-methoxy flavone derivatives having different anti-picornavirus activities have been studied. Geometries of the molecules were optimised and charge distributions computed using the AM1 molecular orbital method. Hybridization displacement charges (HDC) were combined with the L?wdin charge distributions to compute the MEP maps. Reliability of the method of computing MEP maps was tested by studying certain other molecules for which ab initio MEP results are available. The anti-picornavirus activities of the flavones have been shown to be related with negative MEP values in two regions, one near the 3-methoxy group and another in a diagonally opposite region near the substituent attached to the C7 atom of the molecules.