Open Access. Powered by Scholars. Published by Universities.®

Chemical Engineering Commons™

Open Access. Powered by Scholars. Published by Universities.®

2000

Brigham Young University

Articles 1 - 9 of 9

Full-Text Articles in Chemical Engineering

Molecular Dynamics Calculations Of The Electrochemical Properties Of Electrolyte Systems Between Charged Electrodes, Richard L. Rowley, Paul S. Crozier, Douglas Henderson Nov 2000

Molecular Dynamics Calculations Of The Electrochemical Properties Of Electrolyte Systems Between Charged Electrodes, Richard L. Rowley, Paul S. Crozier, Douglas Henderson

Faculty Publications

We investigate the interfacial electrochemical properties of an aqueous electrolyte solution with discrete water molecules in slab geometry between charged atomistic electrodes. Long-range intermolecular Coulombic interactions are calculated using the particle particle particle mesh method with a modification to account for the slab geometry. Density distribution profiles and potential drops across the double layer are given for 0, 0.25, and 1 M aqueous electrolyte solutions each electrode surface charges. Results are compared qualitatively with experimental x-ray scattering findings, other computer simulation results, and traditional electrochemistry theory. The interfacial fluid structure characteristics are generally in good qualitative agreement with the conclusions …

Go to article

Comparison Of Charged Sheets And Corrected 3-D Ewald Calculations Of Long-Range Forces In Slab Geometry Electrolyte Systems With Solvent Molecules, Richard L. Rowley, Paul S. Crozier, Eckhard Spoht, Douglas Henderson Jun 2000

Comparison Of Charged Sheets And Corrected 3-D Ewald Calculations Of Long-Range Forces In Slab Geometry Electrolyte Systems With Solvent Molecules, Richard L. Rowley, Paul S. Crozier, Eckhard Spoht, Douglas Henderson

Faculty Publications

Two methods of calculating long-range intermolecular potentials are compared for an approximately 3 M aqueous electrolyte solution confined between two charged surfaces. We investigate the ionic density profiles using the charged-sheets method and the corrected three-dimensional (3D) Ewald method at two different system sizes and also compare the Coulomb forces directly. The corrected 3D Ewald method is recommended for the calculation of long-range potentials in systems of this nature because it is less system size dependent than the charged sheets method and the resultant forces are more consistent with periodic boundaries. However, the charged-sheets method for estimating long-range potentials in …

Go to article

Pulsed Ultrasound Enhances The Killing Of Escherichia Coli Biofilms By Aminoglycoside Antibiotics In Vivo, Andrea M. Rediske, Beverly L. Roeder, Jared L. Nelson, Rachel L. Robison, Bruce Schaaije, Richard A. Robison, William G. Pitt Mar 2000

Pulsed Ultrasound Enhances The Killing Of Escherichia Coli Biofilms By Aminoglycoside Antibiotics In Vivo, Andrea M. Rediske, Beverly L. Roeder, Jared L. Nelson, Rachel L. Robison, Bruce Schaaije, Richard A. Robison, William G. Pitt

Faculty Publications

Escherichia coli biofilms on two polyethylene disks were implanted subcutaneously into rabbits receiving systemic gentamicin. Ultrasound was applied for 24 h to one disk. Both disks were removed, and viable bacteria were counted. Pulsed ultrasound significantly reduced bacterial viability below that of nontreated biofilms without damage to the skin.

Go to article

Modeling High Pressure Char Oxidation Using Langmuir Kinetics With An Effectiveness Factor, Jianhui Hong, William C. Hecker, Thomas H. Fletcher Jan 2000

Modeling High Pressure Char Oxidation Using Langmuir Kinetics With An Effectiveness Factor, Jianhui Hong, William C. Hecker, Thomas H. Fletcher

Faculty Publications

The global nth order rate equation has been criticized for lack of theoretical basis and has been shown to be inadequate for modeling char oxidation rates as a function of total gas pressure. The simple Langmuir rate equation is believed to have more potential for modeling high pressure char oxidation. The intrinsic Langmuir rate equation is applied to graphite flake oxidation data and agrees well with reaction rates at three temperatures over the entire range of oxygen pressure (1–64 atm). It also explains the change of reaction order with temperature. In this work, the intrinsic Langmuir rate equation is combined …

Go to article

Improving The Accuracy Of Predicting Effectiveness Factors For Mth Order And Langmuir Rate Equations In Spherical Coordinates, Jianhui Hong, William C. Hecker, Thomas H. Fletcher Jan 2000

Improving The Accuracy Of Predicting Effectiveness Factors For Mth Order And Langmuir Rate Equations In Spherical Coordinates, Jianhui Hong, William C. Hecker, Thomas H. Fletcher

Faculty Publications

Char oxidation is often modeled using an mth order intrinsic reaction rate in conjunction with an effectiveness factor to account for intraparticle diffusion of gas species. This approach involves the use of a general modulus (MT) and using the first-order curve of effectiveness factor vs MT. This method was originally referred to as the general asymptotic solution. It has been suggested that a simple Langmuir rate equation is more suitable for modeling the effects of pressure on char reactivity. Therefore, several methods of developing general moduli for the Langmuir rate expression are shown. The general asymptotic …

Go to article

Measurement Of Soot And Char In Pulverized Coal Fly Ash, John M. Veranth, Thomas H. Fletcher, David W. Pershing, Adel F. Sarofim Jan 2000

Measurement Of Soot And Char In Pulverized Coal Fly Ash, John M. Veranth, Thomas H. Fletcher, David W. Pershing, Adel F. Sarofim

Faculty Publications

The unburned carbon in the fly ash produced by low-NOx pulverized coal combustion has been shown by electron microscopy to be a mixture of porous coal char particles and aggregates of submicron particles, which are thought to be soot. The carbon is bimodally distributed with large soot aggregates mixed with the char in the particles larger than 10 microns and dispersed soot found with the submicron particles. A method for determining the mass of soot and char by liquid-suspension gravity separation was used with both laboratory-scale and power plant fly ash samples. For low-NOx, staged, pilot-scale combustion of bituminous coal …

Go to article

Modeling Nitrogen Evolution During Coal Pyrolysis Based On A Global Free-Radical Mechanism, Steven T. Perry, Thomas H. Fletcher Jan 2000

Modeling Nitrogen Evolution During Coal Pyrolysis Based On A Global Free-Radical Mechanism, Steven T. Perry, Thomas H. Fletcher

Faculty Publications

A global free-radical mechanism and an associated rate equation for the evolution of light gas nitrogen during coal devolatilization are presented. The light gas nitrogen rate equation was used to modify an existing nitrogen model so that only a network devolatilization model and coal-specific chemical structural input data are required to adequately predict light gas nitrogen release at a variety of pyrolysis conditions. Model predictions show good agreement with nitrogen release data from pyrolysis of coals of rank from lignite to low volatile bituminous at heating rates from 0.5 to 105 K/s, temperatures as high as 2300 K, and …

Go to article

Solid-State 13c Nmr Characterization Of Matched Tars And Chars From Rapid Coal Devolatilization, Steven T. Perry, Eric M. Hambly, Thomas H. Fletcher, Mark S. Solum, Ronald J. Pugmire Jan 2000

Solid-State 13c Nmr Characterization Of Matched Tars And Chars From Rapid Coal Devolatilization, Steven T. Perry, Eric M. Hambly, Thomas H. Fletcher, Mark S. Solum, Ronald J. Pugmire

Faculty Publications

Matched tar/char sets were prepared by pyrolysis of a lignite and a bituminous coal in two entrained flow reactors at temperatures between 900 K and 1650 K and heating rates of 104–105 K/s. Detailed chemical structural characterization of these tars and chars was performed using elemental analysis and solid-state 13C NMR. This is the first set of detailed solid-state 13C nuclear magnetic resonance (NMR) data on coal tar samples. The average aromatic cluster sizes of the primary tars from these experiments are quite similar to those of their parent coals, confirming an assumption often made …

Go to article

The Use Of Two Mixture Fractions To Treat Coal Combustion Products In Turbulent Pulverized-Coal Flames, Daniel V. Flores, Thomas H. Fletcher Jan 2000

The Use Of Two Mixture Fractions To Treat Coal Combustion Products In Turbulent Pulverized-Coal Flames, Daniel V. Flores, Thomas H. Fletcher

Faculty Publications

Previous coal combustion models using assumed-shape PDF's to treat turbulence-chemistry interactions have used only one progress variable to treat products from coal reactions. This assumes that the products of all coal reactions have the same composition. However. the composition of the combustion products of coal particles is known to vary with burnout, especially between devclatilization and char oxidation. In this work, two progress variables were implemented which distinguish between the products of devolatilization and those of char oxidation. This new approach requires as input the specified volatile content and elemental release during devolatilization. The values for these parameters were estimated …

Go to article