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  Home > JCE Print > Journal of Chemical Education > Issues > 2000  > September  >
Information • Textbooks • Media • Resources
Computer Bulletin Board
Nonlinear Least-Squares Using Microcomputer Data Analysis Programs: KaleidaGraph(TM) in the Physical Chemistry Teaching Laboratory
Joel Tellinghuisen
Department of Chemistry, Vanderbilt University, Nashville, TN 37235
Cover
September 2000
Vol. 77 No. 9
p. 1233
Abstract
A scientific data analysis and presentation program (KaleidaGraph, Synergy Software, available for both Macintosh and Windows platforms) is adopted as the main data analysis tool in the undergraduate physical chemistry teaching laboratory. The capabilities of this program (and others of this type) are illustrated with application to some common data analysis problems in the laboratory curriculum, most of which require nonlinear least-squares treatments. The examples include (i) a straight line through the origin, and its transformation into a weighted average; (ii) a declining exponential with a background, with application to first-order kinetics data; (iii) the analysis of vapor pressure data by both unweighted fitting to an exponential form and weighted fitting to a linear logarithmic relationship; (iv) the analysis of overlapped spectral lines as sums of Gaussians, with application to the H/D atomic spectrum; (v) the direct fitting of IR rotation-vibration spectral line positions (HCl); and (vi) a two-function model for bomb calorimetry temperature vs time data. Procedures for implementing the use of such software in the teaching laboratory are discussed.
Supplement
A detailed description of using the nonlinear least-squares program KaleidaGraph in the physical chemistry teaching laboratory and tutorial exercises are available.
*  Contents JCE2000p1233W.doc (Microsoft Word)
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More Information
*  Citation
 Tellinghuisen, Joel. J. Chem. Educ. 2000 77 1233.
*  Keywords
 Laboratory Computing / Interfacing; Laboratory Instruction; Numerical Methods; Physical Chemistry; Statistics / Data Analysis
*  History
 Created:
Last Updated:		 August 29, 2000
August 31, 2005
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