Uncertainties in chemical modelling of solubility, speciation and sorption
Journal article, 2011

Chemical analyses become more and more expensive to perform, and more and more research is based on numerical simulation. However, all numerical models are subject to uncertainties, either in the implementation of the model towards reality or simply that the desired input data are not explicitly known without uncertainties. These uncertainties will affect the predictability of any model and thus it is of vital interest that the effect of these uncertainties is known. Especially if the result of the simulations is a topic upon which serious decisions are going to be made. In this paper, we outline a simple and rather straight forward approach to the effect of uncertainties on such simple chemical calculations as solubility of a solid phase in a given water and the chemical speciation of a solution. In addition, we also touch upon the much more complicated matter of uncertainties in sorption modelling-a subject which will be enlightened in much greater detail in an upcoming NEA publication in the matter.

Uncertainty analysis

actinides

Solubility

LJUNGSKILE

code

Speciation

Sorption

program

Sensitivity analysis

SENVAR

Author

Christian Ekberg

Chalmers, Chemical and Biological Engineering, Nuclear Chemistry

Arvid Ödegård Jensen

Chalmers, Chemical and Biological Engineering, Nuclear Chemistry

Accreditation and Quality Assurance

0949-1775 (ISSN) 1432-0517 (eISSN)

Vol. 16 4-5 207-214

Subject Categories

Chemical Sciences

DOI

10.1007/s00769-010-0723-4

More information

Created

10/7/2017