MIX2 : a computer program for modeling chemical reaction in natural waters

The methods of aqueous speciation calculation, pH calculation and the solubility (precipitability) calculation of CaCO3were used to study the mixing corrosion of CaCO3in natural waters. Mixing processes were done between two unsaturated (with CaCO3) solutions, two oversaturated solutions and between an unsaturated solution and an oversaturated solution, respectively. Results show that the mixing corrosion can be divided into two different levels: mixing corrosion in strict sense and mixing corrosion in broad sense. When mixing corrosion occurs, the HCO3-concentration in one end member solution is usually higher than that in the other solution, and the Ca2+concentration in the former solution is also usually higher than that in the latter one.

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Nuclear Energy Advanced Modeling and Simulation (NEAMS) Waste Integrated Performance and Safety Codes (IPSC) : FY10 development and integration.

Criscenti¹,

Sassani²,

Argüello³

et al. 2011

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This report describes the progress in fiscal year 2010 in developing the Waste Integrated Performance and Safety Codes (IPSC) in support of the U.S. Department of Energy (DOE) Office of Nuclear Energy Advanced Modeling and Simulation (NEAMS) Campaign. The goal of the Waste IPSC is to develop an integrated suite of computational modeling and simulation capabilities to quantitatively assess the long-term performance of waste forms in the engineered and geologic environments of a radioactive waste storage or disposal system. The Waste IPSC will provide this simulation capability (1) for a range of disposal concepts, waste form types, engineered repository designs, and geologic settings, (2) for a range of time scales and distances, (3) with appropriate consideration of the inherent uncertainties, and (4) in accordance with robust verification, validation, and software quality requirements.Waste IPSC activities in fiscal year 2010 focused on specifying a challenge problem to demonstrate proof of concept, developing a verification and validation plan, and performing an initial gap analyses to identify candidate codes and tools to support the development and integration of the Waste IPSC. The current Waste IPSC strategy is to acquire and integrate the necessary Waste IPSC capabilities wherever feasible, and develop only those capabilities that cannot be acquired or suitably integrated, verified, or validated. This year-end progress report documents the FY10 status of acquisition, development, and integration of thermal-hydrologicchemical-mechanical (THCM) code capabilities, frameworks, and enabling tools and infrastructure.iv ACKNOWLEDGEMENTS

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MIX2 : a computer program for modeling chemical reaction in natural waters

Cited by 5 publications

References 4 publications

Strategies to characterize the geochemical interrelationship between coastal saline groundwater and seawater

Strategies to characterize the geochemical interrelationship between coastal saline groundwater and seawater

Mixing Corrosion of CaCO₃ in Natural Waters

Nuclear Energy Advanced Modeling and Simulation (NEAMS) Waste Integrated Performance and Safety Codes (IPSC) : FY10 development and integration.

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MIX2 : a computer program for modeling chemical reaction in natural waters

Cited by 5 publications

References 4 publications

Strategies to characterize the geochemical interrelationship between coastal saline groundwater and seawater

Strategies to characterize the geochemical interrelationship between coastal saline groundwater and seawater

Mixing Corrosion of CaCO3 in Natural Waters

Nuclear Energy Advanced Modeling and Simulation (NEAMS) Waste Integrated Performance and Safety Codes (IPSC) : FY10 development and integration.

Contact Info

Product

Resources

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Mixing Corrosion of CaCO₃ in Natural Waters