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# shortreport1 - Karen Horovitz CHM231 Expt 1 Mathcad...

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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 0-20. 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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