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首页> 美国政府科技报告 >Geochemical Models Suitable for Performance Assessment of Nuclear Waste Storage: Comparison of PHREEQE and EQ3/EQ6
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Geochemical Models Suitable for Performance Assessment of Nuclear Waste Storage: Comparison of PHREEQE and EQ3/EQ6

机译：适用于核废料储存性能评估的地球化学模型：pHREEQE和EQ3 / EQ6的比较

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Geochemical processes will significantly influence the performance of nuclear waste repositories. The computer codes EQ3/EQ6 and PHREEQE, can be used to describe these processes. They can be applied to far-field and near-field performance assessment and to evaluate data acquisition needs and test data. Both codes embody the ion-association conceptual model of solution behavior and can simulate geochemical reactions. The codes require thermodynamic data for each solid, gaseous, or dissolved chemical species being modeled. The data bases accompanying the codes are for testing purposes only and should not be applied to real problems without first being carefully examined. Five test problems have been run for code verification and demonstration. Routines to manipulate thermodynamic data were written so that each code could run with both data sets. Two problems of aqueous speciation in sea water verified the codes by comparison of results with hand calculations and illustrated the extent of the test data bases supplied. The third problem simulated the dissolution of microcline and verified both codes' ability to locate phase boundaries and simulate non-redox reaction paths. The fourth problem verified the codes' ability to follow abrupt redox changes in a reaction path simulation, while the fifth tested the temperature changing capacity of the codes. When run with the same thermodynamic data, each code gave virtually identical results in all problems. (ERA citation 08:038540)

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