课程名称：Thermodynamics and Applications in Hydrocarbon Energy Production
授课语言Teaching Language: English
Thermodynamics shapes the understanding and formulation of diverse groups of problems in energy production, hard materials, soft matter, nanoparticles, climate change, Alzheimer’s disease, stars, black holes, and many others. In thermodynamics, one examines bulk phases and the interface between the bulk phases as well as heterogeneous state in confinement. Molecular structure and aggregation in bulk and at interfaces and effect of functional molecules on properties are also in the domain of thermodynamics.
This course is divided into two parts. The first part covers advance classical thermodynamics. The second part covers statistical thermodynamics and molecular simulations. The link between the three as well as molecular thermodynamics are stressed throughout the course.
In the first part of the course we present unified approach to bulk-phase equilibrium thermodynamics, bulk-phase irreversible thermodynamics, and interfacial thermodynamics and thermodynamics of thin liquid films in the framework of classical thermodynamics. Concepts of stability, criticality, and the effects of curvature, gravity, and electrical charge on equilibrium are covered in multicomponent systems. The choice of the Gibbs free energy function covers applications to a broad range of problems in chemical, environmental, biomedical, and petroleum engineering as well as earth sciences. The grand potential is also introduced to study equilibrium in open systems and in inhomogeneous nanopore domains. A number of concepts and problems related to phase change and interface energy, thin liquid films, and premelting and nonequilibrium effects are discussed.
In the second part of the course statistical thermodynamics followed by molecular simulations are covered to use key molecular and atomistic aspects to compute bulk properties as well as nanoscale properties. Both equilibrium and flow in nanopres are emphasized in the derivations. Molecular dynamics simulations is key focus in the second part of the course.
课程大纲 Major topics and lectures include:
Work on some 60 problems is perhaps the most important learning elements of the course. The main goal is to introduce thermodynamic thinking in the course takers and help all students for top performance. Commitment to solving the assigned problems and understanding of the concepts is the main per-requisite.
Sandler, An introduction to statistical thermodynamics,2011
Notes on statistical and MD simulations
Senior or graduate standing and courses on advance calculus and linear algebra