sponding instructions are available from the author.
Send weight, can be obtained only when the polymer, a solvent, an
three International Response Coupons to cover postage to Dr.
Eduardo L. Varetti, Area de Quimica Inorganica, Facultad de
Ciencias Exactas, Universidad Nacional de La Plata, 47 esq.
115, 1900 La Plata, R. Argentina.
Dynamic NMR Spectra of Two-Spin Systems
Richard A. Newmark
3M Central Research Laboratory
St. Paul, MN 55144
The equations of Gutowsky and Holm (7) are used to cal-
culate dynamic NMR spectra for two uncoupled spins
undergoing exchange. The populations of the two sites need
not be equal. The intrinsic linewidth (linewidth in the absence
of exchange) correction is included in the equations. The
program will list the spectral amplitudes versus frequency or
produce a high resolution plot. The program will systemati-
cally iterate over tau, the lifetime of the spins in site A, to
match the observed linewidth of the spectrum at both slow
exchange rates (2 peaks present) and fast exchange rates (1
peak observed). The program will also systematically deter-
mine the true frequencies (frequencies in the absence of ex-
change) of the two peaks at slow exchange rates. The free
energy of activation for exchange is calculated if the temper-
ature is given.
This program has been used at 3M to calculate dynamic
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NMR spectra for simple organometallie systems. It should be
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equally applicable to organic or physical chemical experiments
in which dynamic NMR spectra are observed and serve as an
introduction to the use of NMR in the study of dynamic
equilibria. For example, the student can quickly reproduce
the classic example of N,N-dimethvlacetamide shown in most
elementary textbooks and see visually how changing the peak
frequencies, site population, exchange lifetime, or spec-
trometer linewidth affects the dynamic NMR spectrum.
The program is written for a 48K Apple II Plus. The coding
uses 300 lines of Applesoft BASIC and could be easily re-
written for other versions of BASIC since the graphics portion
is only used to plot the NMR curve in a simple loop. Listings
and program copies on your disk are free; copies on my disks
are $3.50 each. Send checks to R. A. Newmark, 3M, Bldg.
201-BS-05, St. Paul, MN 55144.
P0LYMERLAB: A Computer-Generated Problem
Fred D. Williams
Michigan Technological University
Houghton, Ml 49931
In order to review and to anticipate lecture material in
polymer science as well as to simulate a series of laboratory
experiments, we have developed an interactive program using
an “adventure” format. It is intended for seniors or graduate
students.
The student begins with an unknown polymer and must
“search” a laboratory building to acquire the necessary
equipment and supplies to conduct experiments. The chal-
lenge is to identify the polymer and as many of its physical
properties as possible. Furthermore, prior to being permitted
to conduct any experiment or test the student may have to
pass a preliminary quiz on the experimental material.
The running program gives the student enough information
to determine the empirical formula, intrinsic viscosity,
number and weight average molecular weights, as well as a
scanning electron micrograph and infrared and nuclear
magnetic resonance spectra when appropriate conditions are
met. As a typical example, raw osmotic pressure data, i.e.,
solvent height as a function of weight percent polymer that
is used to determine the material’s number average molecular
osmometer, and a thermostat hath have been properly as-
sembled. If osmometry and number-average molecular
weights have been covered in class, the student will be re-
quired to pass a preliminary quiz. If not, the instructor may
introduce a flag to bypass the quiz. In the latter case the stu-
dent must either work independently or wait for the lecture
material to catch up in order to treat the data; both are ped-
agogically useful.
The program requires good safety standards to be main-
tained in the laboratories. For instance, if safety glasses are
not “worn” in any laboratory, the student is expelled from the
building which is tantamount to losing all accumulated
data.
The program is written in APPLE PILOT and requires an
Apple language card and an Author disk to modify the pro-
gram. The program can be run on any 48K Apple II. There are
approximately 600 statements occupying 170 blocks which
includes PILOT system information. Total solution of the
problem generally takes several hours which has prompted
us to include provisions for saving the current status in a file
automatically created by the student.
A description and program listing and copies of floppy disks
are available. Send check or money order made out to the
Department of Chemistry and Chemical Engineering in care
of the author at the above address ($5 for a listing; $15 for a
listing and copy of the disk).
Programming Utilities for the APPLE II Plus
Edgar H. Nagel
Valparaiso University,
Valparaiso, IN 46383
Two machine-language utilities have been developed for
the APPLE which greatly aid the use of the computer for
Computer Aided Instruction (CAI). The utilities allow users
to print upper/lower case with subscripts/superscripts and
to type expressions at an INPUT statement. The utilities
require a 48K APPLE II Plus with DOS 3.3.
The character generator was developed because CAI leaves
something to be desired if it is all done in upper case letters.
Upper and lower case can be added to the APPLE either by
making hardware modifications or by using the high resolution
graphics screen. Programs developed using modified APPLES
are not as transportable as ones developed using software.
Therefore, the character generator that was developed does
not make use of any special additions to the APPLE. The
generator and character set simply reside above page two of
the high resolution graphics screen.
All of the BASIC programming is done using the generator
and the high resolution graphics screen. Existing programs
can easily be converted by' loading the generator, listing the
program, then making changes in all of the I/O statements.
Students using the BASIC program can make full use of the
character generator for all of their I/O answers to questions.
The example below shows what is possible using the utility.
L 3 l. U II
- ‘ . *
LCH-COOHj
The expression utility allows a user to type in an expression
instead of simple numbers for INPUT statements. The ex-
pression can be any valid APPLE II Plus BASIC expression,
and it will be evaluated and assigned to the first variable in
the INPUT statement. The machine language utility makes
use of the BASIC parser and evaluator so that even variables
can be used in the expression. The value of the expression is
shown on the screen and passed on to BASIC for assignment
to the variable. Use of this utility requires a CALL to the
utility for every use followed by the appropriate INPUT
Volume 60 Number 1 January 1983 45