The first two of these programs have been published in the Journal of Chemical Education: Software (JCE:Software)
This program is a simulation of a Varian EM-600 Mass spectrometer (ca. 1979). It shows the two main control panels of the instrument and a screen for displaying the mass spectrum. The user can adjust all of the commonly used controls, for example, spectrum amplitude, mass range, and starting mass. There is also a realistic simulation of sample introduction for both solid and liquid samples. All controls are operated using a mouse pointing device. The instrument responds realistically whether or not sample and operating conditions are appropriate. Actions that would cause incorrect operation are either blocked and explained or carried through and the result explained in an information box.
Mass spectra are derived from data files containing mass and intensity values from the literature. Files for up to 80 compounds (20 provided) can be edited or created using a separate program (provided) or most word processors.. The mass units and intensity values can be obtained from the displayed spectra using the mouse. Hard copies of the spectra can also be obtained using an IBM or EPSON compatible printer. The simulator can be used (1) to teach instrumental analysis students the operation of the real instrument , (2) as a novel way to provide organic qualitative analysis students with mass spectra of unknowns, (3) to demonstrate the isotopic abundances of halogens, etc., and (4) to serve as a substitute if a mass spectrometer is not available. This program will not usually run on computers that are faster than 400 MHz. The author has a fix. Contact: D. Bruce Armitage It will not usually print from Windows. DBA uses the "Print Screen Key" and then pastes the image into "Paint" from here it can be printed.
The program requires an MS-DOS compatible computer with one disk drive and 512K of memory. In addition a MOUSE pointing device (Microsoft mouse or compatible) and a color EGA or VGA graphics adaptor (CGA, MCGA, or Hercules will NOT work) with color monitor are REQUIRED. Some users have reported that a VGA monochrome display will give satisfactory results . The program supports an EPSON or IBM compatible printer but does not require a printer except for hard copies of spectra. The program is written using QuickBasic 4.5.
X-Ray
Abstract
The program simulates the qualitative and quantitative xray fluorescence (XRF) analysis of an unknown containing 3 to 5 elements randomly selected from a list of 24 elements. The simulation does not encompass such inter- element effects as absorption and enhancement. Three analyzing crystals [lithium fluoride (LIF), ethylenediamine d-tartrate (EDT), and potassium acid phthalate (KAP)] and two target materials [tungsten (W) and chromium (Cr)] are available in the program. While the program is more of an analysis simulation than an instrument simulator, it does approximate a wavelength dispersive xray instrument with a resolution of two degrees 2ø. The user is expected to keep careful notes of all data collected and to devise appropriate standards for each element in order to do the quantitative analysis. This program will not usually run on computers that are faster than 400 MHz. The author has a fix. Contact: D. Bruce Armitage
The program requires an MS-DOS computer with an EGA or VGA display and while it is mouse "aware", it does not require a mouse to operate. The program is written using QuickBasic 4.5.
This program simulates the operation of a Gas Chromatograph with either a flame ionization or thermal conductivity detector, with "Megabore", capillary or packed columns, with polar, low polar, and nonpolar packings. The simulator is not meant to work as a GC method development platform but to demonstrate to beginning students many of the requirements necessary to run a Gas Chromatograph. It also introduces the idea of using a simple autosampler for up to 10 samples. Samples are made up by selecting compounds from a list and specifing the percent make-up of the sample. Check out the abstract in the Feb. 1999 edition of the Journal of Chemical Education.
This program requires Windows 95/98/Me/2000/XP and is written using Visual Basic version 5.0.
Last
update October 17, 2007