Simulation of a dual-wavelength uv-visible spectrophotometer
with a 200 - 800 nm wavelength range, switchable tungsten and
deuterium light sources, four interchangable quartz cuvettes,
auto-zero button, four readout modes, and realistic sources of
error and non-linearity. Students specify sample characteristics,
select wavelength, cell path length, select deuterium or tungsten
lamp, and perform measurements. Realistic modeling of lamp
spectral characteristics, cell transmission variations, photon and
detector noise, unabsorbed stray light, and instrument
non-linearity caused by finite spectral bandpass.
Version 1.0 (June, 2000) has a fixed 5 nm spectral bandpass and
models a single absorber in solution. Allows the student to
specify the solute weight, solution volume, and the absorptivity,
peak wavelength, and peak width of the absorber in each of the
four cells. Version 1.1 (July, 2000) models a mixture of two
absorbers (A and B) in solution.
Download links: Version 1.0 (June, 2000): DualWave.WKZ; Version 1.1 (July, 2000):
dws11.wkz;
Wingz player application and basic set of simulation modules, for
windows PCs or Macintosh
Specify the spectral characteristics and concentrations of the
absorbers in the four cell by typing values into the Cuvette
Changer table (cells C9 .. F13). Use the sliders above to
change the wavelengths of the two monochromators. Click on the
buttons on the lower left to change the cell path length and lamp
type. Click on one of the four cuvette buttons (#1 ... #4) to
change the cuvette in the light beam. (The current selections are
highlighted in red). Click one of the four radio buttons below the
absorbance readout to select the readout mode: A1 (absorbance at
wavelength 1), A2 (absorbance at wavelength 2), difference mode
(A1-A2), or ratio mode (A1/A2). Click the Auto-zero button
to zero the readout on the current cell contents. Click the Read
once button to take a single reading of absorbance. Click on
the Read 30 times button to take 30 readings in quick
succession (without removing and replacing the cell) and calculate
the mean (average), standard deviation, and percent relative
standard deviation of the readout. Click on the Replace 30
times button to simulate removing and replacing the cuvette
30 times (including the effect of changes in background
transmission due to cell repositioning error, dust on the cell,
particles in solution, etc).
Wavelength1 (cell G4), controled by the slider
Wavelength2 (cell G5), controled by the slider
path (cell M3): absorption path length in cm, set by the three
"Cuvette, cm" buttons (0.1, 1, 10).
background (cell O3, mirrored in cell R6), default value 0.03
LampInt (cell M6), set by lamp buttons (see lamp button scripts
below)
LampMax (cell M7), set by lamp buttons (see lamp button scripts
below)
LampWidth (cell M8), set by lamp buttons (see lamp button scripts
below)
Stray light = (cell S6), default value 0.01%
Photon noise factor (cell W6) default value 0.0001
Detector noise factor (cell X6), default value 0.0004
Outputs:
AA20: total meas I-zero = sum($AA9..$AA19)
AB20: total meas I = sum($AB9..$AB19)
AB21: absorbance = log($AA$20/$AB$20)
I4: Absorbance (zero corrected) = $AB$21-$G$24
J4: %T = $AB$20/$AA$20
Statistics table
Average =avg(AC23..AC53)
Standard deviation =stdev(AC23..AC53)
Relative standard deviation =J17/J16
Button scripts:
"Cuvetter Changer" buttons:
#1
put 0.02+0.01*rand() into background
put C33 into O6
put C12 into O7
put C13 into O8
recalc
#2
put 0.02+0.01*rand() into background
put D33 into O6
put D12 into O7
put D13 into O8
recalc
and so on for cells 3 and 4.
"Cuvette, cm" buttons:
"0.1"
put 0.1 into path
put 0.02+0.01*rand() into background
recalc
and so forth for the 1.0 and 10 cm buttons.
"none"
put 0 into path
put 0 into background
recalc
Lamp buttons
Tungsten:
put 600 into LampMax
put 2 into LampInt
put 120 into LampWidth
recalc
Deuterium:
put 200 into LampMax
put .5 into LampInt
put 120 into LampWidth
recalc
Autozero:
recalc
put $AB$21 into g24
Read:
recalc
Statistics: (version 1.3)
define reading
for reading=0 to 30
recalc
put I4 into "AC"&reading+23
end for (c) 1991, 2015. This page is part of Interactive
Computer Models for Analytical Chemistry Instruction, created
and maintained by Prof.
Tom O'Haver , Professor Emeritus, The University of Maryland
at College Park. Comments, suggestions and questions should be
directed to Prof. O'Haver at toh@umd.edu.
Number of unique visits since May 17, 2008: