KEMS9613 CH4: Conductor-like Screening Model for Real Solvents (COSMO-RS) (JSS31) (2 op)

Opinnon taso:
Syventävät opinnot
Arviointiasteikko:
Hyväksytty - hylätty
Suorituskieli:
englanti
Vastuuorganisaatio:
Matemaattis-luonnontieteellinen tiedekunta
Opetussuunnitelmakaudet:
2022-2023, 2023-2024

Kuvaus

Conductor-like Screening Model for Real Solvents (COSMO-RS) combines quantum chemistry with statistical thermodynamics to calculate condensed-phase thermodynamic properties of organic (and inorganic) molecules. COSMO-RS can be used for example in liquid-liquid extraction calculations, to find activity coefficients of compounds in different mixtures or to calculate Henry’s law coefficients. The course includes an introduction to the COSMO-RS theory, but the focus is on learning to calculate the various properties starting from the quantum chemical calculations to create input files for the property calculations.

Osaamistavoitteet

Students will learn basic principles of Conductor-like Screening Model for Real Solvents (COSMO-RS). After the course, students are able to calculate thermodynamic properties of organic molecules using COSMO-RS theory.

Esitietojen kuvaus

Bachelor in a science field

Suoritustavat

Tapa 1

Kuvaus:
Mandatory class attendance and computer exercises.
Arviointiperusteet:
The course will be graded either pass or fail. In order to pass, all computer exercises must be completed during the course.
Valitaan kaikki merkityt osat
Suoritustapojen osat
x

Osallistuminen opetukseen (2 op)

Tyyppi:
Osallistuminen opetukseen
Arviointiasteikko:
Hyväksytty - hylätty
Arviointiperusteet:
The course will be graded either pass or fail. In order to pass, all computer exercises must be completed during the course.
Suorituskieli:
englanti
Työskentelytavat:

Lectures, computer exercises. Mandatory class attendance.

Opetus