Development of a wet lime/limestone flue gas desulfurization process model. Phase I: Species distribution model

A new computer code is described which calculates the concentrations (or activities) of chemical species which are at chemical equilibrium. The species distribution model (SDM) is structured so that the user has essentially full control to define a wide variety of problems. Some of the capabilities allow the user (at run-time) to set up a virtually unlimited number and type of solutions and select the activity coefficient technique for each, omit species from consideration, limit the reactivity of species, and edit species and corresponding data (e.g., activity coefficient or equilibrium constant data). The code is highly modular and the routines are short with well-defined purposes and clean interfaces. The code and data structures are set up for ease of model enhancement.