Information and classical thermodynamic transformations

Journal of Physical Chemistry B

Volumn 112, Issue 34, 2008, Pages 10585-10593

  Graham, Daniel J ^a   Kim, Miriam ^a  

^a LOYOLA UNIVERSITY CHICAGO   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EQUATIONS OF STATE; THERMODYNAMICS; VAN DER WAALS FORCES;

CRITICAL POINT; EQUILIBRIUM SYSTEMS; MEASUREMENT RESOLUTION; REVERSIBLE TRANSFORMS; SHANNON INFORMATION; STATE POINTS; VAN DER WAALS;

HEAT ENGINES;

EID: 51849119786     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp7119526     Document Type: Article

References (47)

1. Fermi, E. Thermodynamics; Dover: New York, 1936. We refer to this book several times simply as Fermi.
2. Kullback, S. Information Theory and Statistics; Dover: New York, 1997; Chapter 1 and references cited.
3. Landauer, R. Computation: A Fundamental Physical View. Phys. Scr. 1987, 35, 88.
4. Landauer, R. Irreversibility and Heat Generation in the Computing Process. IBM J. Res. Dev. 1961, 5, 183.
5. Jaynes, E. T. Information Theory and Statistical Mechanics. Phys. Rev. 1957, 106, 620.
6. Jaynes, E. T. Information Theory and Statistical Mechanics II. Phys. Rev. 1957, (108), 171.
7. Brillouin, L. Science and Information Theory, 2nd ed.; Academic: New York, 1962.
8. Penrose, O. Foundations of Statistical Mechanics; Dover: New York, 2005.
9. See Lewis, G. N.; Randall, M.; revised by Pitzer, K. S.; Brewer, L. Thermodynamics, 2nd ed.; McGraw-Hill: New York, 1961; Chapter 21.
10. Feynman, R. P. Feynman Lectures on Computation; Addison-Wesley: Reading, MA, 1996.
11. Godden, J. W.; Stahura, F. L.; Bajorath, J. Variability of Molecular Descriptors in Compound Databases Revealed by Shannon Entropy Calculations. J. Chem. Inf. Comput. Sci 2000, 40, 796.
12. Stahura, F. L.; Godden, J. W.; Bajorath, J. Distinguishing Between Natural Products and Synthetic Molecules by Shannon Descriptor Entropy Analysis and Binary QSAR Calculations. J. Chem. Inf. Comput. Sci 2000, 40, 1245.
13. Godden, J. W.; Bajorath, J. Differential Shannon Entropy as a Sensitive Measure of Differences in Database Variability of Molecular Descriptors. J. Chem. Inf. Comput. Sci. 2000, 41, 1060.
14. Batista, J.; Godden, J. W.; Bajorath, J. Assessment of Molecular Similarity from the Analysis of Randomly Generated Structural Fragment Populations. J. Chem. Inf. Model. 2006, 46, 1937.
15. Bonchev, D. Information Theoretic Indices for Characterization of Chemical Structure; Research Studies Press-Wiley: Chichester, U.K., 1993.
16. See also: Bonchev, D.; Trinajstic, N. Information Theory, Distance Matrix, and Molecular Branching. J. Chem. Phys. 1978, 67, 4517.
17. Complexity in Chemistry, Biology, and EcologyBonchev, D.; Rouvray, D. H., Eds.; Springer: New York, 2005.
18. González-Díaz, H.; Molina, R. R.; Uriarte, E. Stochastic Molecular Descriptors for Polymers I. Modeling the Properties of Icosahedral Viruses with 3D-Markovian Negentropies. Polymer 2004, 45, 3845.
19. Gonzalez-Diaz, H.; Molina, R. R.; Uriarte, E. Markov Entropy Backbone Electrostatic Descriptors for Predicting Proteins Biological Activity. Bioorg. Med. Chem. Lett. 2004, 14, 4691.
20. González-Díaz, H.; Aguero-Chapin, G.; Varona-Santos, J.; Molina, R. R.; de la Riva, G.; Uriarte, E. 2D RNA-QSAR: Assigning ACC Oxidase Family Membership with Stochastic Molecular Descriptors. Biorg. Med. Chem. Lett. 2005, 15, 2932.
21. Berthelsen, C. L; Glazier, J. A.; Raghavachari, S. Effective Multifractal Spectrum of a Random Walk. Phys. Rev. E 1994, 49, 1860.
22. Raymond, R. C. The Well-Informed Heat Engine. In Maxwell's Demon: Entropy, Information, Computing; Leff, H. S.; Rex, A. F., Eds.; Princeton University Press: Princeton, NJ, 1990.
23. de Beauregard, O. C.; Tribus, M. Information Theory and Thermodynamics. In Maxwell's Demon: Entropy, Information, Computing; Leff, H. S., Rex, A. F., Eds.; Princeton University Press: Princeton, NJ, 1990.
24. Nalewajski, R. F.; Parr, R. G. Information Theory Thermodynamics of Molecules and Their Hirshfeld Fragments. J. Phys. Chem. A 2001, 105, 7391.
25. Nalewajski, R. F. Entropie Measures of Bond Multiplicity from the Information Theory. J. Phys. Chem. A 2000, 104, 11904.
26. Nalewajski, R. F. Information Theory of Molecular Systems; Elsevier: Amsterdam, 2006.
27. Graham, D. J.; Schacht, D. Base Information Content in Organic Molecular Formulae. J. Chem. Inf. Comput. Sci 2000, 40, 942.
28. Graham, D. J. Information Content in Organic Molecules: Structure Considerations Based on Integer Statistics. J. Chem. Inf. Comput. Sci. 2002, 42, 215.
29. Graham, D. J.; Malarkey, C.; Schulmerich, M. V. Information Content in Organic Molecules: Quantification and Statistical Structure via Brownian Processing. J. Chem. Inf. Comput. Sci 2004, 44, 1601.
30. Graham, D. J.; Schulmerich, M. V. Information Content in Organic Molecules: Reaction Pathway Analysis via Brownian Processing. J. Chem. Inf. Comput. Sci 2004, 44, 1612.
31. Graham, D. J. Information Content in Organic Molecules: Aggregate States and Solvent Effects. J. Chem. Inf. Model. 2005, 45, 1223.
32. Graham, D. J. Information Content in Organic Molecules: Brownian Processing at Low Levels. J. Chem. Inf. Model. 2007, 47, 376.
33. R. Giles, Mathematical Foundations of Thermodynamics; Pergamon: Oxford, U.K., 1964).
34. Landsberg, P. T. Thermodynamics and Statistical Mechanics; Dover: New York, 1978.
35. Callen, H. B. Thermodynamics; Wiley: New York, 1960.
36. Mackey, M. C. Time's Arrow. The Origins of Thermodynamic Behavior; Dover: New York, 1992.
37. Tribus, M.; Mclrvine, E. C. Energy and Information. Sci. Am. 1971, 225, 179.
38. Graham, D. J.; Malarkey, C.; Sevchuk, W. Experimental Investigation of Information Processing under Brownian Conditions: Work/Time Analysis of Paper Chromatograms. J. Phys. Chem. B 2008, 112, 10594.
39. Denbigh, K. The Principles of Chemical Equilibrium, 3rd ed.; Cambridge University Press: London, 1971. Chapter One.
40. Berne, B. J.; Pecora, R. Dynamic Light Scattering; Dover: New York, 2000; Chapter 10.
41. In addition to refs 1, 7, and 23, see: Pippard, A. B. Elements of Classical Thermodynamics for Advanced Students of Physics; Cambridge University Press: London, 1957.
42. Shannon, C. E. A Mathematical Theory of Communication. Bell Syst. Tech. J. 1948, 27, 379.
43. See also Shannon, C. E.; Weaver, W. The Mathematical Theory of Communication; University of Illinois Press: Urbana, IL, 1949.
44. Handbook of Chemistry and Physics; Weast, R. C., Ed.; Chemical Rubber Company: Cleveland, OH, 1972.
45. Reza, F. M. An Introduction to Information Theory; Dover: New York, 1994.
46. Stanley, H. E. Introduction to Phase Transitions and Critical Phenomena; Oxford University Press: New York, 1971; Chapter 5.
47. Reza, I. Basic Stochastic Processes: The Mark Kac Lectures; Macmillan: New York, 1988; Chapter 0.