NKEC41 Equilibrium Chemistry and Computer Supported Applications , ECTS-points
/JÄMVIKTSKEMI OCH DATORSTÖDDA TILLÄMPNINGAR /

Advancement level:
C

Aim:
To give fundamental as well as more advanced knowledge about how to treat chemical equilibrium problems, preferably using general methods. To show how computers can be used as a valuable aid, e. g. in error calculations, in simulation- or optimization procedures etc. To let the student rather independently carry through and present a minor project work.

Prerequisites:
NKEB 21, Inorganic Chemistry 2 and NKEB 44, Analytical Chemistry 2.

Course organization:
The course is run parallel with the course " Computers and programming" and is consequently studied at a half time rate. The degree of computerizing depends largely upon the interest of the individual student. The first part of the course is focused on the theoretical aspects while the latter part is left for the project work.

Course content:
Activities. Acid-base equlibria. Complex chemistry with introduction, soluble complexes, acid complexes, solid phase complexes. Conditional constants. Reduction-oxidation chemistry. Distribution equilibrium. Graphical representation. Systematic treatment of equilibrium problems. Error calculations. Monte Carlo-simulations supported by elementary statistical thermodynamics. Methods of optimization founded on multivariate data analysis.

Course literature:
A compendium produced at this department.

LAB 1A project work, presented in writing and orally in a seminar. A fellow student will then act as an opponent. Three submitted suggestions for appropriate examination problems.
TEN 1A written examination
Course language is Swedish.