Statistical Molecular Thermodynamics

开始时间: 04/22/2022 持续时间: 11 weeks

所在平台: CourseraArchive

课程类别: 化学

大学或机构: University of Minnesota（美国明尼苏达大学）

授课老师： Christopher J. Cramer

课程主页: https://www.coursera.org/course/thermodynamics

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课程详情

Statistical Molecular Thermodynamics is a course in physical chemistry that relates the microscopic properties of molecules to the macroscopic behavior of chemical systems. Quantized molecular energy levels and their use in the construction of molecular and ensemble partition functions is described. Thermodynamic state functions, their dependence on the partition function, and their relationships with one another (as dictated by the three Laws of Thermodynamics) are all examined in detail. Analysis and demonstration takes place primarily in the context of ideal and real gases. This eight-week course covers slightly more than half of a typical semester-long course in chemical thermodynamics. Typical topics to be addressed subsequently would be phase equilibria, liquids, solutions of non-electrolytes and electrolytes, and chemical reaction equilibria.

Students who successfully complete the course will be able to predict how changes in molecular properties will influence the macroscopic behavior of those substances; they will understand the relationships between energy, heat, and work, and be able to predict how much work can be extracted from a given chemical process under various sets of conditions; they will understand the role of entropy in physical and chemical processes; and they will be able to engineer conditions to make chemical reactions spontaneously favorable (or not). Students will also become adept with differential calculus as a tool to derive and manipulate relationships between connected thermodynamic variables and state functions.

课程大纲

Topics covered:
Week 1:

Overview of thermodynamics and its importance and utility.
Molecular energy levels from quantum mechanics.

Week 2:

Ideal gases; Equations of state; PV diagrams.
Gases and liquids; Corresponding states.
Dispersion; Intermolecular interactions; Real gases.

Week 3:

Boltzmann probability and connection to energy; Ensemble properties.
Heat capacity; Partition functions.
Atomic and molecular partition functions; Connections to quantum mechanics (statistical thermodynamics).

Week 4:

Electronic and translational partition function for gases; Rovibrational partition functions.
Heat capacities.

Week 5:

First law of Thermodynamics; Energy; PV Work; State functions.
Adiabaticity; Reversibility; Heat and work.
Enthalpy; Heat capacity redux; Heat of transition.
Enthalpy of chemical reaction; Heat of formation; Standard-state enthalpy.

Week 6:

Second law; Order/disorder; Entropy.
Spontaneity and entropy; Statistical thermodynamics and entropy; Reversibility.
Entropy and the interconversion of heat and work; Entropy and the partition function.

Week 7:

Third law; Temperature limits; Perfect crystals; Phase transitions.
Experimental determination of third-law entropies; Standard-state entropy.

Week 8:

Helmholtz and Gibbs free energies; Ensemble conditions.
Maxwell relations; Ideal gas state functions; Independent variables.
Gaseous standard state; Gibbs-Helmholtz equation; Fugacity.