Karen Horovitz
CHM231
Expt 1: Mathcad
Introduction:
Computers are often used both to acquire and analyze data from
chemical instruments that measure physical properties. While a
chemistry workstation may be connected to a commercial instrument
such as an NMR spectrometer, it often is interfaced with a PC. Knowing
the components of a PC will aid in understanding how data is stored on
a USB device as well as on the hard drive for archiving and backup
purposes (see Figure 1). Future chemistry data analysis may also
require software such as Excel, Mathcad, and Hyperchem to be used.
In order to introduce students to these types of programs, this lab will
teach basic excel functions in order to conduct statistical and error
analysis on given data.
Results/Discussion:
1. Radial Distribution Function
The radial distribution function,or Equation 1, wasused with the given
x and y data
and written as Equation 2. The
a
and
b
values as given in
the equation were defined as 100and .5 respectively. The functionwas
then separated
into the exponentialand squared
parts (equations
3
and 4). Equations 2, 3, and 4 were plotted
on two separate
y axes with
the x axis containing the given radii (figure 2). It is evident
that the
negative exponentialof the radial distribution equation drives the
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function to zero whereas the x^2 term causesit to increase rapidly at
first from radii of 020.
2. First Order Kinetics
The data was plotted and the natural log of the concentration was
calculated. The natural log of the concentration vs. time was plotted,
as seen in Figure 4. Then, a linear trendline was added to this plot in
order to find the slope, intercept, and R squared value. The residual in
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 Spring '09
 Mccammant
 Linear Regression, Regression Analysis, Standard Deviation, Variance, pH, Errors and residuals in statistics, final score

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