A Monte Carlo percolation model has been developed and utilized to characterize the factors controlling triple phase boundary (TPB) formation in an SOFC electrode. The model accounts for (1) electronic conductor, ionic conductor, and gas phase percolation, (2) competition between percolation of gas and electronically conducting phases, and (3) determination of continuous, though not necessarily fully percolating, paths from TPBs to the bulk phases. The model results show that physical processes near the TPB, such as sorbate transport, significantly affect TPB formation in a composite electrode. Active TPB formation is found to be most significantly dependent upon continuous and competing percolation of multiple phases. Simultaneously requiring continuous paths and accounting for non-continuous boundary conditions results in lower active TPB formation levels (up to 8% of possible sites) than presented in the literature (75% of possible sites). In addition, the varying ratio of active to potential TPB sites predicted by the current model (up to 80%) differs significantly from the constant reported in the literature (80%), which lacks analyses of three-phase percolation, gas phase paths, and gas/current collector boundary conditions. This dependence of active TPB formation on percolation of all three phases is important to understand as a basis for determining SOFC performance and optimization. © 2007 Elsevier Ltd. All rights reserved.

A Monte Carlo percolation model previously used to characterize Triple Phase Boundary (TPB) formation in composite SOFC electrode-electrolyte interfaces has been augmented to allow for investigation of the effects of composition, gas-phase percolation, and surface exchange and transport phenomena on the overall conductivity of these electrode-electrolyte interfaces. The model has been utilized to replicate the results of a previous modeling effort, with similar assumptions and application to an SOFC electrode electrolyte interface. Although the models are similar in many aspects, their key differences allow equivalent predictions of the behavior of overall electrode conductivity as a function of electrode composition, thereby verifying the assumptions and overall approach of the current model. The validity of omitting charge-transfer and activation resistances when comparing overall interfacial conductivity trends is confirmed. The current model is then used to simulate several experimental results. The comparisons among these results show the importance of including gas-phase percolation physics and surface exchange and transport phenomena features in the model. Including gas-phase percolation and these surface phenomena can significantly alter the predictions of conductivity behavior and better predicts experimental observations, particularly at low and high electronic conductor volume fractions. © 2010 Elsevier B.V.

Due to increasing awareness of the deleterious environmental and health effects of diesel combustion emissions, major regulatory action and policy measures are focused on reducing emissions from diesel engines. Freight operations, including rail-based freight transportation, have received special attention as an industry where major change can be affected, especially in neighborhoods located near operations centers. A FORTRAN-based dynamic simulation model of an SOFC-GT (Solid Oxide Fuel Cell-Gas Turbine) system from a prior feasibility study has been adapted to analyze system operation along a representative but demanding route in southern California. In previous simulations with the model, the basic operational feasibility of the system has been demonstrated as well as the in-service operation for pre-reformed fuels. In the current study, the analysis is extended to include reformation of two fuels (diesel and natural gas) onboard the locomotive and analyses of system efficiency, fuel consumption, CO2 emission, and NOx emission that can be attained through careful thermal integration of the reformer unit. Route-averaged fuel-to-wheels system efficiencies of 60% and 52% are predicted for natural gas and diesel fuel, respectively. Additionally, SOFC-GT operation could provide (1) a reduction approaching 98% in NOx for both fuels; (2) a 54% savings in CO2 for operation on natural gas; and (3) a 30% CO2 reduction for operation on diesel fuel compared to state-of-the-art locomotive technology. These gains may be offset by design challenges, especially for the diesel case, due to the requirement for large volumes of water to support the reformation process even for medium-length freight hauling trips.

This work assesses the feasibility of Solid Oxide Fuel Cell-Gas Turbine (SOFC-GT) hybrid power systems for use as the prime mover in freight locomotives. The available space in a diesel engine-powered locomotive is compared to that required for an SOFC-GT system, inclusive of fuel processing systems necessary for the SOFC-GT. The SOFC-GT space requirement is found to be similar to current diesel engines, without consideration of the electrical balance of plant. Preliminary design of the system layout within the locomotive is carried out for illustration. Recent advances in SOFC technology and implications of future improvements are discussed as well. A previously-developed FORTRAN model of an SOFC-GT system is then augmented to simulate the kinematics and power notching of a train and its locomotives. The operation of the SOFC-GT-powered train is investigated along a representative route in Southern California, with simulations presented for diesel reformate as well as natural gas reformate and hydrogen as fuels. Operational parameters and difficulties are explored as are comparisons of expected system performance to modern diesel engines. It is found that even in the diesel case, the SOFC-GT system provides significant savings in fuel and CO 2 emissions, making it an attractive option for the rail industry. © 2012 Elsevier B.V. All rights reserved.

Sulfuric acid (H2SO4), formed from oxidation of sulfur dioxide (SO2) emitted during fossil fuel combustion, is a major precursor of new airborne particles, which have well-documented detrimental effects on health, air quality, and climate. Another precursor is methanesulfonic acid (MSA), produced simultaneously with SO2 during the atmospheric oxidation of organosulfur compounds (OSCs), such as dimethyl sulfide. In the present work, a multidisciplinary approach is used to examine how contributions of H2SO4 and MSA to particle formation will change in a large coastal urban area as anthropogenic fossil fuel emissions of SO2 decline. The 3-dimensional University of California Irvine-California Institute of Technology airshed model is used to compare atmospheric concentrations of gas phase MSA, H2SO4, and SO2 under current emissions of fossil fuel-associated SO2 and a best-case futuristic scenario with zero fossil fuel sulfur emissions. Model additions include results from (i) quantum chemical calculations that clarify the previously uncertain gas phase mechanism of formation of MSA and (ii) a combination of published and experimental estimates of OSC emissions, such as those from marine, agricultural, and urban processes, which include pet waste and human breath. Results show that in the zero anthropogenic SO2 emissions case, particle formation potential from H2SO4 will drop by about two orders of magnitude compared with the current situation. However, particles will continue to be generated from the oxidation of natural and anthropogenic sources of OSCs, with contributions from MSA and H2SO4 of a similar order of magnitude. This could be particularly important in agricultural areas where there are significant sources of OSCs.