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1996-01-05
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Integrated Graphics
312 Nevada St.
Northfield, MN 55057
E-mail: hansonr@stolaf.edu
chmcalc3.zip Chemists' all-purpose calculator-MW,%,Ka,more
ABSTRACT
--------
CHEMCALC.EXE, Chemistry Calculator for Windows incorporates
the type of calculations used by chemists--especially at the
introductory level--into a simple Windows-based calculator. In
particular, the MW() and %() functions complement LOG() LN() and
EXP(). Constants for Ka, Kb, and Ksp are included. Calculations
such as x^2/(1-x)=0.01 are easily carried out; more constants can
be added by editing CHEMCALC.INI, a simple ASCII file. All results
are stored both on a scrolling list for later recall and on the
clipboard for interaction with WordPerfect or Microsoft Word.
CHEMCALC.EXE is an updated version of WMFCALC.EXE.
INSTALLATION
------------
CHMCALC3.ZIP can be unzipped using PKUNZIP, PKUNZJR, or WINZIP.
If you do not have one of these programs, you can probably find
one on the site from which you got CHMCALC3.ZIP or from
ftp.stolaf.edu/pub/origami/WIN. In addition, you will need
VBRUN300.DLL, as this program was produced using Microsoft Visual
Basic 3.0 for Windows.
1. Create a new temporary directory or choose one already on
your hard disk.
2. Move CHMCALC3.zip to this directory and unzip it there.
3. From the Windows file manager Run... thatdirectory\setup
You will be asked to enter a directory into which to install
CHEMCALC.EXE (default is C:\CHEMCALC). Installation should
complete in a few seconds.
4. Files in the temporary directory may be deleted.
RUNNING THE PROGRAM
-------------------
Enter calculations into the calculator by typing. Examples and
constants are available from dropdown menus. Click on an example to
see its calculation; click on a constant to insert it into a calculation.
Included functions:
EXP(), LN(), LOG(), SQRT(), ! (factorial)
MW() (molecular weight), and % (percent composition)
General features
do not include charges on ions: MW(SO4)
period (.) used for indicating hydration: CoCl6.2H2O
leading numbers are ok: 3CO2
also + means chemical equation-like plus: 5H2O + 5CO2
the "MW(" and ")" can be omitted if not part of a larger calculation
brackets are OK and function just like parentheses: Co[C2H2H8]3
"x" and "=" in a formula is a request to do a simplex calculation:
x^2/(0.1-x)=0.001
"x" may be used then as a variable in later calculations
multiplication can be implied: (1-3x) or 3 MW(H2O)
spaces are irrelevant
use standard calculator notation for scientific notation:
1e-5 is 0.00001
#n means "set display precision to 'n' (0-9) significant digits
for example #3
#0 resets sets the display to full (15-digit) precision
xyz... #5 means set precision to 5 sig. digits for THIS CALC ONLY
The calculation ends up in the clipboard. In addition, if a commandline
argument is given from a shell command or from the Program Manager
File Run... command, such as
chemcalc x^2/(.1-x)=0.0014 #3
then CHEMCALC loads the clipboard with the result and exits.
Thus, the slick way to use CHEMCALC is to integrate it into your word
processor using a macro that shells to CHEMCALC.
For WordPerfect, the macro is:
Application (A1; "WordPerfect"; Default; "US")
CR = NtoC(0F90Ah)
if (?selectedtext="") SelectWord endif
prompt("CHEMCALC calculation in progress: "+CR+CR+
?selectedtext+CR+CR+" press CTRL-V to retrieve when done")
appexecute("c:\chemcalc\chemcalc "+?selectedtext)
endprompt
Assigning this macro to ALT-C using Edit Preferences Keyboard...
allows you to type any formula in WordPerfect that you could
type in CHEMCALC and almost instantly have the result
right in your document when you press CTRL-V (paste).
for example: 2/<pi> #3 (2/pi to 3 significant digits)
CUSTOMIZING EXAMPLES AND CONSTANTS
----------------------------------
All examples and constants available in the program are based on data stored
in CHEMCALC.INI. This easily readable ASCII file allows you to modify or
add constants that you find useful in your own work. The format is simple
and described in CHEMCALC.INI. Basically, there are two sections, [Examples]
and [Constants]. These two sections define a set of submenu entries. For
example, under the menu item 'Constants' there is a submenu 'Ka' because
in the INI file there is an entry 'Ka' in section [Constants].
A later section of the INI file is introduced as [Constants-Ka] and under
that heading are many actual acid dissociation constants. The entry
[Constants-Ka]
Acetic=HC2H3O2=1.8E-5
Translates into the listbox entry
Ka HC2H3O2 (Acetic)
when you select Constants Ka from within CHEMCALC.
Note that you can either click on a constant or use it's reference in "<>"
such as <pi> or <Ka HC2H3O2> Case is not critical in these references.
I have installed several constants, but there is plenty of room for more.
If you take this on a project, please send a copy to me by EMail and I will
incorporate your data in the next version of CHEMCALC.EXE.
HARDWARE REQUIREMENTS
---------------------
Any computer running Windows 3.1 should be adequate.
CHEMCALC has not been fully tested under Windows 95.
REGISTRATION AND LICENSING
--------------------------
Chemistry Calculator is FREEWARE. It is fully distributable.
FEEDBACK
--------
Your feedback is greatly appreciated. If there is ANYTHING that you don't
like or anything that you would like to see, please E-mail it to me. I can
install a newer test version on ftp.stolaf.edu/pub/origami/WIN usually
within a day.
Have fun!
Bob Hanson
hansonr@stolaf.edu