Engineering Commons^™

Model Calculational Approach To The Conformation Of Adsorbed Polypeptide Fragments, Timothy J. Mckeon

Opportunities for Undergraduate Research Experience Program (OURE)

The focus of the paper is to examine possible conformational changes of peptides when placed in the presence of a poly-synthetic material. A major concern in the pharmaceutical industry is the loss of potency of polypeptide drug products during processing, packaging and storage. An example of this is polymer syringes being used in place of glass ones. The effect is that some protien-derived products experience structural changes due to contact with the polymer. This is otherwise known as surface denaturation. In order to understand the energetics of interfacial polypeptide systems, a calculational approach was used via the program Alchemy. The …

Computer Visualization Of Irrotational Flow Over Bluff And Streamlined Bodies, Nora Okong' O

Opportunities for Undergraduate Research Experience Program (OURE)

Computer programs were developed to visualize irrotational flow over bluff bodies (circular cylinders and half-bodies) and streamlined bodies (elliptical cylinders and airfoils). The method of superposition of flows was used, with stream functions or complex velocity potentials for fundamental flows being added to obtain the flows over the bodies. For the flow over the circular cylinders, half-bodies and elliptical cylinders, the stream function was calculated directly. The flow over the airfoil was obtained by Joukowski mapping of the imaginary part of the complex velocity potential for flow over a circular cylinder.

The programs developed will be valuable learning tools for …

Fourier Transform Infrared (Ftir) Spectroscopy Analysis Of Combustion Aerosol, Gary Jacquin

Opportunities for Undergraduate Research Experience Program (OURE)

In conjunction with my co-op program at McDonnell-Douglas, my current OURE project is the analysis of combustion aerosols using Fourier Transform Infrared (FTIR) Spectroscopy. Aerosol science is a very important field as it is concerned with atmospheric chemistry, atmospheric physics, climate, public health, and environmental issues.

In the Cloud and Aerosol Sciences Laboratory (CASL) at UMR, combustion aerosols are generated by an in-house designed torch or burner. The fuels, JP4 and JP5, are provided by McDonnell-Douglas. Some other commercial fuels are also used. The primary objective of my OURE project was to generate and collect combustion aerosols for chemical analysis. …

A Computer Graphics Program For Displaying Water Molecules On A Dn3500 Apollo Workstation, Michael A. Stuller

Opportunities for Undergraduate Research Experience Program (OURE)

A computer graphics program is developed for displaying water molecule configurations on the screen of a DN3500 Apollo workstation. The motivation was to generate a fast display of output from molecular dynamics or Monte Carlo computer simulations. Input to the program consists of a listing of the Cartesian coordinates of the atomic constituents of the molecules. Options in the program include: 1) number of molecules; 2) plot size; 3) atomic radii; 4) superposition of substrate atomic positions; 5) viewing angle; and 6) color-coded and/or numbered atoms. The program is written in Fortran.

Effects Of Sample Orientation On The Corrosion Of Zinc In Ammonium Sulfate And Sodium Hydroxide Solutions, D. Abayarathna, Edward Boyd Hale, Thomas J. O'Keefe, Y. M. Wang, D. Radovic

Physics Faculty Research & Creative Works

The corrosion and electrochemical properties of three zinc single crystal surfaces with different orientations have been investigated. In near-neutral 1 M (NH₄)₂SO₄, the corrosion rates on all three surfaces were found to be similar. However, the SEM morphologies of the corresponding corroded surfaces were markedly different from each other, but consistent with preferential attack of {1120} surfaces. In alkaline 0.5 N NaOH solution, the three sample orientations showed significantly different reactivities, with the (1120) surface exhibiting the highest reactivity and corrosion rate. Here, passivation ultimately occurred and the difference in the corrosion performance of …

Electrical Conductivity, Seebeck Coefficient And Defect Chemistry Of Ca-Doped Ycro3, G. F. Carini, Harlan U. Anderson, Don M. Sparlin, M. M. Nasrallah

Materials Science and Engineering Faculty Research & Creative Works

The electrical transport behavior and defect structure of Ca-doped YCrO₃ were studied using electrical conductivity and Seebeck coefficient measurements as a function of oxygen activity and temperature. Defect models derived from the electrical conductivity data were found to adequately relate the concentration of charge carriers to the acceptor dopant and oxygen vacancy concentrations. Thermodynamic properties were calculated and found to be consistent with the model. Activation energy and carrier mobility data were also obtained. The analysis of the electrical conductivity, Seebeck and mobility data suggest that the conduction process in Ca-doped YCrO₃ occurs via the small polaron hopping …

Defect Structure, Nonstoichiometry, And Phase Stability Of Ca-Doped Ycro3, G. F. Carini, Harlan U. Anderson, M. M. Nasrallah, Don M. Sparlin

Materials Science and Engineering Faculty Research & Creative Works

The dependence of the defect structure of Ca-doped YCrO₃ on oxygen activity and temperature was investigated by high temperature thermogravimetric measurements. Defect models developed from electrical conductivity data obtained in a previous study were used to interpret the thermogravimetric data. A correlation was found between the electrical conductivity and the thermogravimetric data which suggested that these data were concomitantly dependent on the acceptor dopant and oxygen vacancy dependance of the thermodynamic parameters. Kröger-Vink type diagrams showing the regions of stability with respect to oxygen activity and temperature were constructed. The TGA data show that Ca-doped YCrO₃ is even …