Macintosh Applications for Physical Chemistry
What the applications do:
K equilibrium
This application
calculates partition functions and equilibrium constants at a specified
temperature from the spectroscopic data for the reactants and products,
and I find it very useful when I am teaching this part of statistical
mechanics. Input data for the O+OH->O2+H reaction are loaded automatically on startup.
K equilibrium OS9
Kinetics
This
application is built around a fourth-order Runge-Kutta integration program
which incorporates an adaptive step-size routine based on the discussion
in the book 'Numerical Methods' by Press et al. Input data for a system containing
NO, O and O3 are loaded automatically on startup. In addition, input
and output files are provided for the Oregonator oscillating reaction. [I recommend
loading the output file, to save time.]
Kinetics OS9 Kinetics
OSX
Kinetics Oregonator
inputs Kinetics
Oregonator outputs
Rpn calculator
This
is a calculator rather like the old HP-45, but with only one memory. Its
main feature is that the large, easy-to-read display (designed by my colleague
Alan Happer) is in the form of a bar which occupies very little space on the
desktop. The application uses the keyboard and/or the key-pad for input of
numbers and the +, -, *, /, and e symbols. The user can choose whether or not
to show a bar with buttons for trig functions, the stack and memory contents,
or a record of the calculations. I also have two other versions of the rpn
calculator. One of them more closely resemble the old HP-45; the other has
separate displays for X and Y. Contact me by e-mail if you want to try them
out.
rpn calculator OS9
Gaussdome.bas is the listing
of a Basic program which calculates the effective surface tension of a liquid
over the range of wave vectors where the discrete structure of a liquid surface
starts to be important. Thus it successfully models the experimental results
obtained by Mora et al (Mora, S.; Daillant, J.; Mecke, K.; Luzet, D.; Braslau,
A.; Alba, M.; Struth, B. Phys. Rev. Lett. 2003,
90, 216101/1). The program was written using BBEdit, which has the advantage
that the Tools menu can be set up to enable a listed program to be run on a
Macintosh computer under Chipmunk Basic, Chipmunk Basic is available free at: www.nicholson.com/rhn/basic
Leon Phillips