ERIC Number: EJ936759
Record Type: Journal
Publication Date: 2011-May
Pages: 7
Abstractor: As Provided
ISBN: N/A
ISSN: ISSN-0021-9584
EISSN: N/A
Using the Metropolis Algorithm to Calculate Thermodynamic Quantities: An Undergraduate Computational Experiment
Beddard, Godfrey S.
Journal of Chemical Education, v88 n5 p574-580 May 2011
Thermodynamic quantities such as the average energy, heat capacity, and entropy are calculated using a Monte Carlo method based on the Metropolis algorithm. This method is illustrated with reference to the harmonic oscillator but is particularly useful when the partition function cannot be evaluated; an example using a one-dimensional spin system is examined. The calculations are performed entirely using a computer algebra package, and the calculations are straightforward enough for undergraduates to investigate for themselves in the laboratory. (Contains 4 figures.)
Descriptors: Thermodynamics, Scientific Concepts, Calculus, Computation, Science Instruction, College Science, Undergraduate Study, Science Experiments, Educational Technology, Computer Uses in Education, Monte Carlo Methods, Molecular Structure
Division of Chemical Education, Inc and ACS Publications Division of the American Chemical Society. 1155 Sixteenth Street NW, Washington, DC 20036. Tel: 800-227-5558; Tel: 202-872-4600; e-mail: eic@jce.acs.org; Web site: http://pubs.acs.org/jchemeduc
Publication Type: Journal Articles; Reports - Descriptive
Education Level: Higher Education
Audience: N/A
Language: English
Sponsor: N/A
Authoring Institution: N/A
Grant or Contract Numbers: N/A