STATISTICAL THERMODYNAMICS AND CHEMICAL KINETICS
cod. 1001493

Academic year 2009/10
1° year of course - First semester
Professor
Academic discipline
Chimica fisica (CHIM/02)
Field
Discipline chimiche inorganiche e chimico-fisiche
Type of training activity
Characterising
24 hours
of face-to-face activities
3 credits
hub:
course unit
in - - -

Learning objectives

The course deals with the fundamental concepts of the statistical thermodynamics and with its chemical applications.

Prerequisites

Notions of chemical thermodynamics ad of  molecular structures.

Course unit content

 Statistical thermodynamics concepts. The distribution of molecular states. The molecular partition function.<br />
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Internal energy and entropy. Internal energy and molecular partition function. The statistical entropy<br />
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The canonical partition function. The canonical ensemble. The thermodynamic information in the partition function. Independent molecules.<br />
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Fundamental relations of the statistical mechanics. Internal energy, entropy, Helmholtz energy, pressure, enthalpy and Gibbs energy.<br />
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Applications of the statistical thermodynamics. The contributions to the molecular partition function. The mean molecular energies. Equation of states for ideal and real gases. Residual entropies. Equilibrium constants.<br />
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Transition state theory. Potential energy surface and transition state. The rate decay and the concentration of the transition state. The Eyring equation for the rate constant.Thermodynamic aspects: activation parameters, ion reactions.

Full programme

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Bibliography

Atkins,P., and J. de Paula. Physical Chemistry. New York, NY: W.H. Freemanand Company, 2001. ISBN: 0716735393.

Teaching methods

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Assessment methods and criteria

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Other information

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