The method of least-squares (LS) has a built-in procedure for estimating the standard errors (SEs) of the adjustable parameters in the fit model: They are the square roots of the diagonal elements of the covariance matrix. This means that one can use least-squares to obtain numerical values of propagated errors by defining the target quantities as…

Necessary and sufficient criteria for reaction spontaneity in a given direction and for spontaneity of finite transformations in single-reaction, closed systems are developed. The criteria are general in that they hold for reactions conducted under either conditions of constant T and p or constant T and V. These results are illustrated using a…

An inquiry-based laboratory exercise is described in which introductory chemistry students measure the density of water five times using either a beaker, a graduated cylinder, or a volumetric pipet. Students are also assigned to use one of two analytical balances, one of which is purposefully miscalibrated by 5%. Each group collects data using…

Complex error propagation is reduced to formula and data entry into a Mathcad worksheet or an Excel spreadsheet. The Mathcad routine uses both symbolic calculus analysis and Monte Carlo methods to propagate errors in a formula of up to four variables. Graphical output is used to clarify the contributions to the final error of each of the…

A new Microsoft Excel spreadsheet design that enables a prompt calculation of rate constant, k values and associated errors and also addresses less common features such as the choice of an experimental curve's extent is presented. To complete the spreadsheet design, several highlights and squared colored boxes were included to assist the user and…

The cross-proportion method allows both the instructor and the student to easily determine where an error is made during problem solving. The C-P method supports a strong cognitive foundation upon which students can develop other diagnostic methods as they advance in chemistry and scientific careers.

Investigates minimizing errors in computational methods commonly used in chemistry. Provides a series of examples illustrating the propagation of errors, finite difference methods, and nonlinear regression analysis. Includes illustrations to explain these concepts. (MVL)