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Alloy manager1 Driver

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Alloy manager1 Driver


Calculation of the activity of individual components in alloys. The development of this activity model was performed at the Oak Ridge National Laboratory. The overall aim of the ORNL research task was to develop Alloy manager1 modules to calculate activity of individual alloying elements as a function of concentration and temperature for a phase that is of Alloy manager1.

These calculated activity values are used in the OLI corrosion model for stability diagram Alloy manager1. Published thermodynamic data for constituent binary systems e. Fe-Cr-C by Andersson, and quaternary systems e. Cr-Fr-N-Ni by Frisk, were used to develop the software module for stainless steels, nickel alloys and duplex steels.

Alloy Manager -

The software modules were designed to calculate the activity of constituent alloying elements in both austenite face-centered cubic crystal structure and ferrite body-centered cubic crystal structure as a function of concentration Alloy manager1 temperature. The calculations shown Alloy manager1 Fig.

The above results are significant since the corrosion stability diagrams can be evaluated for different phases with the same compositions. Incorporation Alloy manager1 the Alloy Alloy manager1 into Stability Diagram Software The alloy thermodynamic modules have been integrated with the software for generating stability diagrams. For this purpose, the stability diagram code has been revised to incorporate a Gibbs energy model not only for the aqueous phase, but also for the solid alloy phase.

In this section, we describe the algorithm for generating stability diagrams for alloys. A stability diagram for a given physical system can Alloy manager1 viewed as a superposition of elementary diagrams for the redox subsystems that make up the system of interest. For example, a system composed of a Fe-Ni alloy in an H2S solution can be treated as a superposition of five redox subsystems defined as: Thus, each redox subsystem is associated with an element that can Alloy manager1 in two or more oxidation states.

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Each of the elementary redox subsystems is characterized by a set of equations that may occur between the species that belong to the subsystem. The subsystems are interdependent because the reactions in each subsystem involve species that belong to more than one subsystem. However, the relationships between the potential and activities or concentrations of species can be separately plotted for each subsystem.

For example, the classical Pourbaix diagrams are shown as superposition of three elementary diagrams, i. To compute a stability diagram for Alloy manager1 redox subsystem, it is necessary to enumerate all distinct chemical species that Alloy manager1 to this subsystem.

Each Alloy manager1 these species contains the particular element that is associated with the subsystem. Then, equilibrium equations are written between all species in the subsystem.


For convenience, each reaction is normalized so that the stoichiometric coefficient for the right-hand Alloy manager1 species Y is equal to 1. To establish a general algorithm for defining the basis species Ai we note that the species X and Y from equation 4 can be represented as 5 6 where M is the element that is associated with the redox subsystem, H and O are the usual Alloy manager1 for hydrogen and oxygen, respectively, and C, D, E, For the purpose of defining the basis species, we separately treat elements in different oxidation states.

For example, C and D Alloy manager1 represent the same element in two different oxidation states. Although this definition allows considerable flexibility in choosing the basis species Ai, additional rules are introduced to simplify the algorithm: To illustrate the selection of basis species, Alloy manager1 us consider two examples.

Therefore, the general formula for the species Alloy manager1 where N-3 denotes N in the -3 oxidation state. In a system composed of iron, water and sulfur-bearing compounds, the species in the iron subsystem are iron hydroxides, oxides, Alloy manager1, sulfides, polysulfides and sulfates. After selecting the basis species, the stoichiometric coefficients in equation 5 are determined by balancing the elements M, H, O, C, D, E, etc.

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