Prediction of Corrosion of Alloys in Mixed-Solvent Environments
- OLI Systems Inc. Morris Plains (United States)
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Corrosion is much less predictable in organic or mixed-solvent environments than in aqueous process environments. As a result, US chemical companies face greater uncertainty when selecting process equipment materials to manufacture chemical products using organic or mixed solvents than when the process environments are only aqueous. Chemical companies handle this uncertainty by overdesigning the equipment (wasting money and energy), rather than by accepting increased risks of corrosion failure (personnel hazards and environmental releases). Therefore, it is important to develop simulation tools that would help the chemical process industries to understand and predict corrosion and to develop mitigation measures. To create such tools, we have developed models that predict (1) the chemical composition, speciation, phase equilibria, component activities and transport properties of the bulk (aqueous, nonaqueous or mixed) phase that is in contact with the metal; (2) the phase equilibria and component activities of the alloy phase(s) that may be subject to corrosion and (3) the interfacial phenomena that are responsible for corrosion at the metal/solution or passive film/solution interface. During the course of this project, we have completed the following: (1) Development of thermodynamic modules for calculating the activities of alloy components; (2) Development of software that generates stability diagrams for alloys in aqueous systems; these diagrams make it possible to predict the tendency of metals to corrode; (3) Development and extensive verification of a model for calculating speciation, phase equilibria and thermodynamic properties of mixed-solvent electrolyte systems; (4) Integration of the software for generating stability diagrams with the mixed-solvent electrolyte model, which makes it possible to generate stability diagrams for nonaqueous or mixed-solvent systems; (5) Development of a model for predicting diffusion coefficients in mixed-solvent electrolyte systems; (6) Development of fundamentals of a detailed kinetic model of general corrosion, which includes a detailed treatment of local chemistry changes near the metal/solution interface coupled with transport through a liquid layer and solid phases at the interface; (7) Development of parameters for OLI's kinetic model of general corrosion of common engineering alloys in aqueous systems with a variety of solutes. With this model, the users will be able to predict the effect of various process conditions (such as environment composition, temperature, pressure) on the general corrosion of alloys; (8)Comprehensive review of the fundamentals of the models by an Academic Review Panel, which was performed in conjunction with three annual review meetings; (9)Development and commercial release of the Corrosion Analyzer, a Windows software product that encompasses the thermodynamic model, a facility for generating stability diagrams and the model for predicting the rates of general corrosion of selected alloys in aqueous systems.
- Research Organization:
- OLI Systems Inc. Morris Plains (United States)
- Sponsoring Organization:
- USDOE Office of Industrial Technologies (OIT) (EE-20) (US)
- DOE Contract Number:
- FC07-00CH11019
- OSTI ID:
- 811533
- Report Number(s):
- DOE/CH11019-; TRN: US200313%%64
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
36 MATERIALS SCIENCE
37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
99 GENERAL AND MISCELLANEOUS//MATHEMATICS, COMPUTING, AND INFORMATION SCIENCE
ALLOYS
CHEMICAL COMPOSITION
CHEMISTRY
CORROSION
ELECTROLYTES
FORECASTING
KINETICS
MITIGATION
MIXED SOLVENTS
SOLUTES
STABILITY
THERMODYNAMIC MODEL
THERMODYNAMIC PROPERTIES
VERIFICATION
MODELING
PREDICTION
ALLOYS
THERMODYNAMICS
ELECTROCHEMICAL KINETICS