Sym8.EQ v.1.0 (freeware)
Equilibrium reaction speciation model
Closed-system
Single-volume setup
Charge balance
Alkalinity (total carbonate)
Activity correction using B-dot (EQ3/6), Debye-Huckel, or Davies equations
Additional functions:
Water mixing and titration
Coming soon:
Redox reactions
Organic acids and compounds
Coming later in 2025:
Database manager (write and modify reactions and properties)
Analytic tools based on users request and feedback.
Speciation modeling is about solving a set of equations describing equilibrium reactions among solutes and elemental composition compositions that describe total quantity of elements dissolved in the water.
Charge balance condition, alkalinity, and mineral equilibrium reactions can be used to substitute elemental composition conditions, thereby keeping the mathematical system consistent and complete.
Mineral swap reactions impose a rule that the solution is saturated with respect to the mineral reactions selected. Alkalinity (total carbonate) can be used to substitute either pH or dissolved carbon quantity. Charge balance guarantees the solution to be neutrally charged typically by adjusting Cl- or H+ concentrations.
Redox reactions describing changing oxidation states of reactants use oxygen as the electron donor, and they are also expressed as equilibrium reactions.
Reactions involving organic compounds and acids are treated as redox reactions. In EQ3/6 database they are typically described to involve acetic acid and oxygen as reactants, however their reaction expressions can vary depending on data sources.
Sym8.Batch (closed or open system) coming in mid-2025
Equilibrium and kinetic reactions
all of Sym8.EQ features plus:
Closed or open system configuration
Single-volume setup
Petrophysics module (porous media composition and texture change with reaction progress)
Changing temperature history
Open-system configuration allowing interaction with open air
Sym8 uses dynamic autonomous timestep control. It determines each timestep as it is running. This means the program does not crash because of solution divergence.
Composite media model allows each mineral type to be described using geometric shapes and parameters and its volume fraction in the bulk media. Each mineral composition and textural parameters change as simulation progresses.
Petrophysical properties (porosity, permeability, tortuosity, conductivity, heat capacity, and more) are recalculated as composite media properties change dynamically.