Interactive Computer Models for Analytical Chemistry
Instruction
Tom
O'Haver
Professor Emeritus
Department of Chemistry and Biochemistry
The University of Maryland at College Park toh@umd.edu
http://www.wam.umd.edu/~toh/models/
Last updated: June 26, 2009 (I am currently revising and
updating these models: send your comments and suggestions, and
corrections totoh@umd.edu)
This is a collection of free, downloadable, interactive computer models and
simulations of
common
analytical instruments and techniques. Most have a point-and-click
interface;
you click buttons and drag sliders to control variables and the model
responds dynamically, often much faster than real time. I
originally designed these models for students in my courses
in Instrumental Analysis (an upper-division undergraduate laboratory
course) and
Spectrochemical Methods (a graduate lecture course). They were
designed to be used by individual students either as homework
assignments, for in-class use in a computer lab environment, in the
laboratory for the analysis of student-generated data, or as a
temporary replacement for unavailable laboratory equipment. They can
also be used
by the instructor in lecture-demonstration environments. Student
assignment handouts and suggested experiments are attached to most of
them. The mathematical
basis for each model is described, including all cell definitions and
equations. These spreadsheets make extensive use of named cells
(variables), which makes the equations easier to understand (as
compared to row-colunm references).
WingZ Versions
These models were
originally developed in the early 90's in WingZ
(.WKZ) format, an object-oriented spreadsheet with a built-in scripting language called
HyperScript.
This is
still a useful format, becausethe
HyperScript
language has some has some unique capabilities that are useful in this
sort of simulation and because the WingZ player program has a very
modest memory footprint and runs very quickly even on older, smaller,
or slower
computers. I am gradually re-writing these models in the
industry-standard, non-proprietary Open Document format (using OpenOffice
Calc), but until that work is complete, some of them will be available
only in the original WingZ format. To open the WKZ files
you'll need the "player" application that is included in the
following file archives for both
PCs and Mac:
How to open WKZ files: Both of the file
archives above include the WingZ player application that is needed to
open the WKZ files. Make sure that ALL of the files in this
download are kept in the same folder. Put any separately
downloaded model files (.wkz files) in the same folder. To
run a model, first launch Wingz.exe, then open the WKZ files from
within Wingz (File --> Open).
(To get WingZ to launch when you double-click a WKZ file, you'd have to
enter WKZ as a new file type in Tools => Folder
Options => File types).
Note: It is best to download the basic set of models initially, to make
sure that you have all the pieces needed, then check
back here occasionally for new models, which can be downloaded
individually and then moved into the folder with wingz.exe.
OpenOffice Calc and
Excel Versions
All
of the new models and the updated versions of the original models are
being developed in the non-proprietary Open Document (OpenOffice
Calc) spreadsheet format (part of the
OpenOffice Suite, which is available for free download from OpenOffice.org
for both PCs and Macs). To run these spreadsheets, you have to first download the OpenOffice installer (download from OpenOffice),
then install it (by double-clicking on the installer file that you just
downloaded), and then download my spreadsheets from this site.
Once OpenOffice is installed, you can run my spreadsheets just by
double-clicking on them. Note:Don't use version 3.1.0. There
is a bug in OpenOffice 3.1.0 that
causes bad x-axis scaling on some of my graphs. The problems does
not
occur in version 3.0.1. I recommend that you use version 3.0.1
until they get this issue fixed in a new release; you can get version
3.0.1 from FileHippo.
Some of the simpler spreadsheets have also been
saved in the proprietary Excel (.xls) format
(for which you must own a copy of Microsoft Excel), but I
recommend that even Excel users download OpenOffice to make the best
use of these models.
Unsolicided Comments from Users at Other Institutions
"Let me congratulate you on a fine web page! I'm a technical support
engineer for Wingz ... and I rarely run across such sophisticated use
of our products."
"I was able to get everything working
nicely and can promise you they will be helpful with my students."
"Today I had the first simulation experiment and the
students were excited... The lab was
much more interesting than the lecture, this is for sure!...I had very
good feedback from students..."
