Chemical Education: Software Abstract Spreadsheets in Physical Chemistry Volume llB, Number 1
Davld M. Whlsnant Wofford College Spattanburg. SC 29301 Spreadsheets are high-level programming languages.' Though not as broadly applicable nor as customizahle as traditional languages, they are much more accessible to the average computer user. "Spreadsheets in Physical Chemistry" contains reviewed and classroom-tested Lotus 1-2-3 and SuoerCalc IV templates (spreadsheet "programs") and handnits that are designed to be used in physical chemistry courses. Thcse materials and the techniques they embody will also he useful for chemists and students in many other areas. The package contains the several modules described below. Introduction to Spreadsheets This module consists of a "hands-on" introduction to spreadsheet programming. I t begins with three demonstration templates and then leads users through the development of their own temdates, in the process acquainting them with important spreadsheet comn&ds. The emphasis in this handout is on ease of use rather than completeness. It offers enough guidance so that most users can learn to use spreadsheets as tools for the calculations required in physical chemistry lecture and laboratory. Numerical Methods Templates A set of numerical methods templates and handouts are part of this module. Templates from this set, which includes Newton-Raphson, four least-squares, and two numerical integration routines, can he merged with spreadsheets that users have developed themselves. They also can he used as stand-alone templates to help work prohlems. For instance, one template provides a linear regression analysis and plot. Slmulatlon Templates Ten simulation templates that are suitable for use in or out of the classroom are included. The simulations were written for users to run individually as "what if' exercises, allowing them to explore models developed in class or to gain experience hefore encountering a topic in lecture. Among the topics treated by the simulations are temperature dependence of the equilibrium constant, solid-liquid phase diaerams.. enzvme . kinetics, kinetic versus thermodynamic control of reactions, particle-in-a-box model, simple oscillator, tunnelinp. effect, and Holtzmann distribution. Several pages of notes are supplied with the simulations as an overview for the user. The handouts furnish directions to help users run the simulations and questions t o guide them as they think about each simulation's results. If a large screen or overhead projector monitor is available the simulations can he used quite effectively in a classroom to enhance lectures. Kay, A. Sci. Am. 1984,251(3),53. Atkins, P. W. Physical Chemistry, 3rd ed.: Freeman: New York.
Textbook Problems Templates The package contains 21 templates keyed to 28 problems from the physical chemistry textbook by Atkim2 Each template, which includes a section a t the end to point out special features, illustrates how spreadsheets can be used to solve different types of physical chemistry problems. The templates can he used to suggest prohlems for which spreadsheets might he appropriate tools. They also furnish examples of more advanced spreadsheet operations that move hevond the treatment in the introductory handout. The templates will he useful to thoiie who use a texthook other than Atkins: mnnv of the prohlems are similar to rhose found in other textbooks. The problem templates also could he used effectively for classroom demonstration. "Spreadsheets in Physical Chemistry"assumes that users are novices who have received a brief introduction to IBMPC compatihle computers and the MS-DOS operating system; it assumes no prior knowledge of spreadsheets, hut users must own a spreadsheet program. I t provides tools to help anyone hecome a routine user of spreadsheets and to explore applications of computers through simulations and problem solving.
About This Issue: Spreadsheets in Physical Chemistry Patrlcla C. Flath Paul Smith's College Paul Smiths. NY 12970 "Spreadsheets in Physical Chemistry." What a natural! A calculation-intensive course enhanced hv a series of calculation-intensive spreadsheet templates. integrated spreadsheet programs such as SuperCalc IV, Lotus 1-2-3, Quattro, and Excel are high-level programming languages well suited for calculations encountered in physical chemistry courses and in many other chemistry applications. Instructions, handouts, and templates are provided for both the SuperCalc IV and the Lotus 1-2-3 spreadsheet programs. Those who own other spreadsheets, such as Quattro or Excel, that can read Lotus 1-2-3 files will also he able to use this material, hut some conversion will probably be needed. Hardware and Software Requirements "Spreadsheets for Physical Chemistry" requires a computer that will run either SuperCalc IV or Lotus 1-2-3. In practice this means an IBM PC or compatihle running IBM PC DOS or MS-DOS versions 3.0 or higher and with a t least 256K RAM. (More memory than 256K is desirable.) The templates are supplied on 5.25-in. disks. The spreadsheet program itself is not supplied-you must own a copy of either SuperCalc IV or Lotus 1-2-3 to use this issue without modification. Since many of the templates produce graphs, a graphics adapter (CGA, EGA, VGA, or Hercules) will be needed. A printer (compatible with the IBM Graphics Printer) is desirable in order to prepare hard copies of graphs hut is not necessary to run the templates. Since many of the templates are useful for classroom demonstration, large monitors, overhead projection units, or color video projectors1 may also he useful.
' Susskind, T. Y. J. Chem. Educ.: Soff.1988, 1A(1),16-24. Volume 66
Number 5
May 1989
405
