| Educational guide School of Chemical Engineering |
english |
| Nanoscience, Materials and Processes: Chemical Technology at the Frontier |
 Subjects |
| ADVANCED THERMODYNAMICS AND MOLECULAR SIMULATION |
| Contents |
| IDENTIFYING DATA | 2016_17 |
| Subject | ADVANCED THERMODYNAMICS AND MOLECULAR SIMULATION | Code | 20705203 | |||||
| Study programme |
|
Cycle | 2nd | |||||
| Descriptors | Credits | Type | Year | Period | ||||
| 6 | Optional | 1Q |
||||||
| Competences | Learning outcomes | Contents |
| Planning | Methodologies | Personalized attention |
| Assessment | Sources of information | Recommendations |
| Topic | Sub-topic |
| 1. Thermodynamic postulates |
|
| 2. Classical mechanics and quantum mechanics. Statistical Mechanics |
Boltzmann Distribution Law The ideal gas The non-ideal gas The liquid state |
| 3. Molecular dynamics |
Integration of the equations of motion Estimation of statistical information |
| 4. The Monte Carlo technique. |
Importance sampling Metropolis algorithm Basic Monte Carlo algorithm Trial moves |
| 5. Monte Carlo simulation in different ensembles |
Microcanonical Isothermal-isobaric Grand canonical |
