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/ #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 or 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