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Glossary
Semester (Sem)
1First Semester
2Second Semester
AAnnual course
Educational activities
BIdentifying activities
Language
Course completely offered in italian
Course completely offered in english
--Not available
Innovative teaching
The credits shown next to this symbol indicate the part of the course CFUs provided with Innovative teaching.
These CFUs include:
  • Subject taught jointly with companies or organizations
  • Blended Learning & Flipped Classroom
  • Massive Open Online Courses (MOOC)
  • Soft Skills
Course Details
Context
Academic Year 2018/2019
School School of Industrial and Information Engineering
Name (Bachelor of Science degree)(ord. 270) - MI (347) Chemical Engineering
Track N1L - Ingegneria Chimica
Programme Year 3

Course Details
ID Code 052525
Course Title MOLECULAR MODELING IN PROCESS ENGINEERING
Course Type Mono-Disciplinary Course
Credits (CFU / ECTS) 5.0
Semester Second Semester
Course Description Thermodynamics: advanced methods for the solution of the Schrodinger equation; determination of the molecular structure of molecules; estimation of thermodynamic parameters in the gas phase and in solution. Kinetics: determination of transition state structures; estimation of rate constants for reactions in the gas phase, in solution and on surfaces; master equation and pressure dependence of rate constants. Transport: estimation of diffusion, thermal conductivity and viscosity coefficient for pure gases and mixtures on the basis of the solution of the Boltzmann equation; molecular dynamics simulations; estimation of transport parameters of molecules in solution. Determination of free interaction energies of molecules in solution.
Scientific-Disciplinary Sector (SSD)
Educational activities SSD Code SSD Description CFU
B
ING-IND/24
FUNDAMENTALS OF CHEMICAL ENGINEERING
5.0

Schedule, add and removeAlphabetical groupProfessorLanguageCourse details
From (included)To (excluded)
--AZZZZCavallotti Carlo Alessandro
manifesti v. 3.1.9 / 3.1.9
Area Servizi ICT
18/11/2019