Development of models for use in the assessment of waste repository performance

Abstract

The work outlined in this proposal is intended both to provide thermodynamic data that is needed to assist in the assessment of waste repository performance and the modeling necessary to ascertain to what extent the data produced is consistent, both with itself and with other published data on related systems. During this stage of the research we shall endeavor to develop a model of the chemistry of aluminum in aqueous solution which is consistent with a wide variety of experimental data including data generated as part of this project together with data that has been published previously in the research literature. We propose a program of research designed to enable us to model the interaction of canister materials (e.g. copper and iron) with natural waters. Both experimental work and a modeling program are outlined. In the experimental program e.m.f. measurements and spectroscopic measurements will be made so as to determine the various association equilibria of iron and copper with the anions OH{minus}, HCO{sub 3}{sup {minus}}, and CO{sub 3}{sup 2{minus}}. The initial stages of the modeling program will concentrate on the identification and use of existing experimental data to produce a preliminary model. This will allow us to identify those areas where special emphasis should be placed to meet the needs of the waste disposal program objectives. The objective of this research is to produce thermodynamic data for use in the assessment of waste repository performance that has been measured using experimental procedures performed in accord with the Level 1 quality assurance requirements detailed in the L.L.N.L. Yucca Mountain Project Quality Procedures Manual. The modeling approach used in experimental planning and data assessment is a Level 3 activity. In addition to the establishment of the thermodynamic data base proposed here, results should lead to improved consistency in the overall modeling effort. 29 refs., 2 tabs.