Computers in Teaching: Now and Tomorrow Prepared by George Gilbert Assisted by John Daly, Jerrold Lokensgard, and David Mclnnes The evolution and revolution of the roles of computers in instruction continues as demonstrated by the wide range of awnlications found a t this Conference. The choices are die.. I;#trdI)? pcrs~malpredilection and, for most rhemists, by finonclal limitnti~ms.'l'hesea .~.~ l i r a t i ofall n s intusevwal eategories as indicated by the divisionsin this report. Tutorial. The choices begin with the mainstay of many institutions concerned with improving student facility in mathematical and chemical topics-tutorial programs. Materials associated with the teaching of topics in organic chemistrv as well as eeneral chemistrv are offered a t the university of prince ~ d w a r dIsland and Illinois (3,IZ). The former institution relies on a Basic laneuaae and em.. .. svstem . phnys this system in in~erestingsimulated orgsnir laboratm? ~ n sPlnto . I\' system exercises alonc wit h othrr n ~ r ~ l i r n t i ~'The a t Illinois a sophisticated system matched by few institutions and the interest shown bv. participants was ap. Ilarmr from the crowd arm~ndthe terminal. .!+mulu/rt,n. The nr:mization ot' rearhina srrntegies sobsumed by the term simulation encompasse~the n'xt set of computer applications. For science fiction enthusiasts as well as chemistry faculty who wish to show the effect of initial amounts and rates of change on a system, the "Body Snatcher" . nroeram nrovides an interestine choice (8). , , The consequences of various genetic and environmental factors on the . oooulation of earthlines . " translates easilv to chemical systems in which the consequences of other variables may be simulated. A more down-to-earth problem (nearly so a t least) of current interest to students is that of air ~ollution.This is simulated by the Photochemical Smog ~ o r k a t i o nprogram which allows choice of initial conditions and oroduces chaneine concentrations of atmospheric substances-with time (6).FhG uroaram is adaptable for qualitative work bv non-science majors, or, thro"gh quantiGtive treatment, may he used hy science majors. Shifting emphasis to the laboratory, the use of pre-lab work in qualitative analysis via computer checks a student's understanding of the effect of adding various reagents to a Group I or Group I1 unknown (1). A blending of laboratory and computer in the determination of the p K of an indicator requires the student to obtain absorbance data a t various pH's, plot the absorbance versus wavelength using the computer, and input absorbance values to the p K from simultaneous equations ( 5 ) .Note should also be made of the simulated w
laboratory programs available on the Plato IV system which could save students time and false starts if properly used. Although not strictly simulation, the use of a stored set of organic compounds in Wiswesser notation with appropriate uhvsical data, infra-red and uv-visible snectra. and nmr data. &ws students engaged in qualitativeor~anicanalysistocheck their unknowns. In practice, a~uroximatelv90% choose to confirm their work using this r e s k r c e (2). Graphics. The beauty and facility of modeling molecules and displaying complex structural patterns is made available through graphics terminals. Still expensive to purchase, the virtue of plasma displays of the x-y-z coordinates of molecules, development of kinetics programs, and the ability to display least square solutionsandcurve-fittingare noted(4). If you are financially less able, a set of computer generated dot structures, the crystal structure of ice, and molecular collision patterns in gases are available commercially (9). General. The range of computer potential in chemistry is a t least partially achieved a t Lawrence College in its use of minicomputers in tutorials, real-time instrument control, data reduction, and simulations of experimental systems (3).The most recent of these materials is the simulation of nmr spectra with the option to change various parameters such as coupling constants and note the effect on the spectrum. The involvement of students in writing materials to teach about molecular orbital calculations in a senior level course has also been demonstrated along with its attendant advantages and disadvantages (11). The catalytic address by Jorgensen dealt with the use of
Volume 54, Number 1. January 1977 / 13
computers in the design of organic synthetic pathways (7). Jorgensen described the computer system (PDP-10) and the extensive programming work done a t E. J. Corey's laboratory a t Harvard but the main thrust of the presentation was the organization of synthetic thinking which has gone into the building of the system. Perhaps this is fitting, since the computer requires some of the same strategies used in teaching students. Aspects of the system which were described were problems of classification of reactions, or, more exactly, of "transformsn-reactions-in-reverse-usinp cateaories such as "diwonnrctive" and 'rwonnertive" to denote whether bonds were hruken or madr in the transform. The ahilitv to desimate "strategic bond disconnections" provided specific synthetic oathwavs to the desired rina- system from reasonable materials. The key feature of the address, in the context of undergraduate rduration, was this careful annlysisof a verycomplex prwe*s, svnth(,ticdtsim, and the phrasing of simple questtons and noting straightforward rules that begin, a t least, to make it a less magical process. In the discussion following the talk, note was made of the sophistication required of students to handle the system discussed while heavv reliance of the computer propram on a relatively small number of really important and powerful transforms (e.g., adol. Diels-Alder), may have some implications for the teaching of synthetic logic. Tomorrow. The oreviouslv cited presentations clearly demonstrate that thk computer is burgeoning as an element of the instructional process. The catalytic address entitled "The Chemistry Machine" looked to the future for the conferees. From the assumptions that computers will become smarter, faster, smaller and cheaper, and using his own work with computers as examples, Wilson displayed a fascinating and mind-stretching future for computers in chemical education (13). Picture, if you will, the computer as a friendlier machine with almost human-like responses. I t can use multi-sensory imaeervto helo students learn. The student will he able to aet ~," inside matter through the use of vision, sound, and touch.0f course there will be much more interaction between the student and thr nnnptlter through special eler~ro-mechanical attachments which the student car, more to see the effrrt of stress; in a real sense he will become an operator in the molecular system. The increased computer power will allow students to learn theoretical chemistry from first principles, as well as simulate experiments more realistically. Those a t the Conference got a glimpse of the computer's future and a window to the world, both macroscopic and microscopic, that it will provide. Annotated Bibliosraphy (1) Bank, Evelyn, Qualitative Analysis Simulations, Westminster Hiah School, Westminster, CO 80030. Groups I and I1 of the inorganic qualitative analysis scheme are simulated using unknowns and possible reagents to he added for separation and identification. (2) Coleman, G. H., and Weston, L. T., A Computer-Based Information Search System for Organic Qualitative Analysis Using Wiswesser Notation, Department of Chemistry, Nebraska Wesleyan University, Lincoln, NE 68504.
stored in the computer (3) Evans, James S., Computer Applications in Chemist r v a t Lawrence University, of Chemis. Department . try, Lawrence University, Appleton, WI 54911. A range of computer materials including tutorial drill, data reduction, instrument control and simulation of NMR spectra were cited. 14 / Journal of Chemical Education
(4) Glick, M. D., and Anderson, T . J., Interactive Computer Graphics f o r Chemists, Department of Chemistry, Wayne State University, Detroit, MI 48202, and W. M. Butler, Department of Chemistry, University of Michigan, Ann Arbor, MI 48104. A plasma display driven by a minicomputer allows generation of X-ray coordinates, kinetics programs and least squares and curve fitting to be accomplished. ( 5 ) Hefter. Jesse. and Zuehlke. Richard W.. Computer ~ i m u l a t i o nof Acid-Base Indicator ~ e h a v i o r De, partment of Chemistrv. .. Universitv of Bridae~ort, - . . Bridgeport, C T 06602. Speetrophotometrie determinations of indicator absorption at different p H values iscoupled with the use of the computer to solve the simultaneous equations using data obtained from absorption maxima from computer plots. (6) Huebert, Barry J., Computer Modelling of Photochemical Smog Formation, Department of chemistry, Colorado College, Colorado Springs, CO 80903. Variations in sunlight and composition of the atmosphere may yield smog during a given day. Students relate these outcomes to the model used in develooine . ..the oraeram. (7) Jorgensen, William L., General Synthetic strategies a n d Their Application i n Computer Assisted Synthetic Analysis, Department of Chemistry, Purdue University, West Lafayette, IN 47907. The use of computer stored reactions to authentically ohtain a desired product species containing ring structures was presented. Rules developed in the evolution of the computer programs for choices of reaction sites were given. (8) Messina, Robert, Invasion of t h e Body Snatchers, Physical Science Department, Nassau Community College, Garden City, NY 11530. This simulation allows the students to vary rates of mutation and initial population and note the consequences of these choices on the outcome. (9) Moore, John W., Davies, William G., and Collins, Ronald W., T h e Use of Non-Interactive Computer Graphics in Chemistry Instruction, Department of Chemistry, Eastern Michigan University, Y~silanti,MI 48197. The computer production of sophisticated materials such as electron dot patterns and crystal structures which are displayed in class an overhead transparencies, as 35 mm slides or given as student handouts was cited. (10) Palmer. Glenn E.. T h e Computer a s Tutor: An App ~ i c a t i b nof 1nte;active F'rogramming, Department of Chemistry, University of Prince Edward Island, Charlottetown, Prince Edward Island, Canada. Included programs of organic nomenclature, basic reaction types and simulated laboratory work. (11) Rhodes, W. Gale, Even-More-Sophisticated Lies About Bonding, Department of Chemistry, Maryville College, Maryville, T N 37801. Programs developed by faculty and students for applications of molecular orbital theory at the senior level were discussed. (12) Smith, .it;inlcy C , lndividualizrd Instruction with t h e I'lato 1V System. Dt:i~arrmento i C I ~ m i s t r sIlni. versity of illinois, urbana; IL 61801. This powerful computer system offers individual instruction in General and Organic Chemistry using sophisticated graphics terminals. Lesson completion information is available to the instructor. (13) Wilson, Kent R., T h e Chemistry Machine, Department of Chemistry, University of California a t San Diego, LaJolla, CA 92093. Projections for the near and oat so near future in the use of computers in chemical education were eited. New dimensions included touchy-feely systems where the farces between molecules can be modelled using computer-driven mechanical systems.
