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models to help with dynamic or quasi-dynamic simulations. The balance of plant components usually can be readily modeled using existing unit operations included in the packages. These types of models are used routinely by fuel cell developers, and have become an indispensable tool for system engineers. The accuracy of the basic thermodynamic models is quite good, but because the fuel cell sub-models are typically lumped parameter models or simply look-up tables, their accuracy depends heavily on model parameters that have been developed and validated for relevant situations. Aspen Plus is described below as an example, followed by a description of GCTools, an Argonne National Laboratory modeling set that offers an alternative to codes from the commercial software industry. Unit Operations Models for Process Analysis using ASPEN DOE's National Energy Technology Laboratory has been engaged in the development of systems models for fuel cells for over 15 years. The models were originally intended for use in applications of stationary power generation designs to optimize process performance and to evaluate process alternatives. Hence, the models were designed to work within DOE’s ASPEN process simulator and later ported to the commercial version of this product, ASPEN Plus. ASPEN is a sophisticated software application developed to model a wide variety of chemical processes. It contains a library of unit operations models that simulate process equipment and processing steps, and it has a chemical component data bank that contains physical property parameters that are used to compute thermodynamic properties, including phase and chemical equilibrium. The first general purpose fuel cell model was a Nernst-limited model designed to compute the maximum attainable fuel cell voltage as a function of the cell operating conditions, inlet stream compositions, and desired fuel utilization. Subsequently, customized unit operations models were developed to simulate the operation of solid oxide (internal reforming), molten carbonate (both external and internal reforming), phosphoric acid, and polymer electrolyte fuel cells (PEFC). These fuel cell models are lumped parameter models based on empirical performance equations. As operation deviates from the setpoint conditions at a "reference" state, a voltage adjustment is applied to account for perturbations. Separate voltage adjustments are applied for current density, temperature, pressure, fuel utilization, fuel composition, oxidant utilization, oxidant composition, cell lifetime, and production year. These models were developed in a collaborative effort by DOE's National Energy Technology Laboratory and the National Renewable Energy Laboratory. In recent years, participants in the SECA core program have developed a stack sub-model for ASPEN that adequately represents intermediate temperature SOFC. Stand-alone fuel cell power systems have been investigated, as well as hybrid systems using a wide variety of fuels and process configurations. Some of the systems analyses studies that have been conducted using these fuel cell models are described in Chapter 8. Argonne's GCTool Argonne National Laboratory developed the General Computational Toolkit (GCTool) specifically for designing, analyzing, and comparing fuel cell systems and other power plant 2-28PDF Image | Fuel Cell Handbook (Seventh Edition)
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