Characterization of corrosion products on iron aluminide coated alloys
EMSL Project ID
9990
Abstract
Iron-rich iron aluminide coatings were deposited via enclosed vacuum evaporation at PNNL on stainless steel type 316, Al-base alloy 6061, and alloy steel AISI 4130. The coatings are intended to improve the corrosion resistance of the alloys in the presence of hot, moist exhaust gases resulting from combustion in heavy duty diesel engines. Recent environmental regulations now require exhaust gas recirculation to reduce harmful emissions from diesel combustion. Unfortunately, the exhaust system components do not currently have the necessary corrosion resistance to last the expected lifetime of the engine. A variety of coatings were produced with varying Al concentrations and thicknesses, deposited at various temperatures to produce a variety of microstructures. The samples were subjected to accelerated corrosion tests by Cummins Engine Company to simulate diesel exhaust environments. The corrosion products on the coated samples will be characterized at EMSL by scanning electron microscopy and energy dispersive x-ray spectroscopy to produce images such as line scans and elemental dot maps. The proposed effort will allow correlation between the coating characteristics and the corrosion performance. Using these data, improved coatings will be developed and tested to confirm the validity of the results. If successful, coatings of these types could ultimately be incorporated in diesel engine exhaust system components such as exhaust gas recirculator heat exchangers, inlet manifolds, or exhaust ducting to increase lifetime and reduce long-term cost.
Project Details
Project type
Exploratory Research
Start Date
2004-07-06
End Date
2006-07-18
Status
Closed
Released Data Link
Team
Principal Investigator
Related Publications
Atta-Fynn R, EJ Bylaska, GK Schenter, and WA De Jong. 2011. "Hydration Shell Structure and Dynamics of Curium(III) in Aqueous Solution: First Principles and Empirical Studies." Journal of Physical Chemistry A 115(18):4665-4677. doi:10.1021/jp201043f
Aubriet F, JJ Gaumet, WA De Jong, GS Groenewold, AK Gianotto, ME McIIwain, MJ Van Stipdonk, and CM Leavitt. 2009. "Cerium Oxyhydroxide Clusters: Formation, Structure and Reactivity." Journal of Physical Chemistry A 113(22):6239-6252. doi:10.1021/jp9015432
Bylaska EJ, KA Glass, DJ Baxter, SB Baden, and JH Weare. 2010. "Hard scaling challenges for ab initio molecular dynamics capabilities in NWChem: Using 100,000 CPUs per second." Journal of Physics: Conference Series 180(1):, doi:10.1088/1742-6596/180/1/012028.
Bylaska EJ, KL Tsemekhman, SB Baden, JH Weare, and H Jonsson. 2011. "Parallel Implementation of Gamma-Point Pseudopotential Plane-Wave DFT with Exact Exchange." Journal of Computational Chemistry 32(1):54-69.
Cho HM, WA De Jong, and CZ Soderquist. 2010. "Probing the Oxygen Environment in UO22+ by Solid-State O-17 Nuclear Magnetic Resonance Spectroscopy and Relativistic Density Functional Calculations." Journal of Chemical Physics 132(8):084501. doi:10.1063/1.3308499
Glezakou VA, and WA De Jong. 2011. "Cluster-Models for Uranyl(VI) Adsorption on alpha-Alumina." Journal of Physical Chemistry A 115(7):1257-1263.
Groenewold GS, MJ van Stipdonk, J Oomens, WA De Jong, and ME McIIwain. 2011. "The gas-phase bis-uranyl nitrate complex [(UO2)2(NO3)5]-: infrared spectrum and structure." International Journal of Mass Spectrometry 308(2-3):175-180. doi:10.1016/j.ijms.2011.06.002
Groenewold GS, MJ Van Stipdonk, J Oomens, WA De Jong, GL Gresham, and M Mcilwain. 2010. "Vibrational Spectra of Discrete UO?²? Halide Complexes in the Gas Phase." International Journal of Mass Spectrometry 297(1-3):67-75. doi:10.1016/j.ijms.2010.06.013
Groenewold GS, WA De Jong, J Oomens, and MJ Van Stipdonk. 2010. "Variable Denticity in Carboxylate Binding to the Uranyl Coordination Complexes." Journal of the American Society for Mass Spectrometry 21(5):719-727.
Kuta J, and AE Clark. 2010. "Trends in Aqueous Hydration Across the 4f Period Assessed by Reliable Computational Methods." Inorganic Chemistry 49(17):7808-7817. doi:10.1021/ic100623y
Kvamme B, MCF Wander, and AE Clark. 2009. "The Role of Basis Set Superposition Error in Water Addition Reactions to Ln(III) Cations." International Journal of Quantum Chemistry 109(11):2474-2481. doi:10.1002/qua.22139
Nichols PJ, N Govind, EJ Bylaska, and WA De Jong. 2009. "Gaussian Basis Set and Planewave Relativistic Spin-Orbit Methods in NWChem." Journal of Chemical Theory and Computation 5(3):491-499. doi:10.1021/ct8002892
Odoh SO, SM Walker, M Meier, J Stetefeld, and G Schreckenbach. 2011. "QM and QM/MM Studies of Uranyl Fluorides in the Gas and Aqueous Phases and in the Hydrophobic Cavities of Tetrabrachion." Inorganic Chemistry 50(7):3141-3152. doi:10.1021/ic2001706
Ohno, T., Z. Wang, and R. Bro. 2008. PowerSlicing to determine fluorescence lifetimes of water-soluble organic matter derived from soils, plant biomass, and animal manures. Anal. Bioanal. Chem. 390(8):2189-2194.
Schoendorff GE, TL Windus, and WA De Jong. 2009. "Density Functional Studies on the Complexation and Spectroscopy of Uranyl Ligated with Acetonitrile and Acetone Derivatives." Journal of Physical Chemistry A 113(45):12525-12531.
Schoendorff GE, WA De Jong, MJ van Stipdonk, JK Gibson, D Rios, MS Gordon, and TL Windus. 2011. "On the Formation of "Hypercoordinated" Uranyl Complexes." Inorganic Chemistry 50(17):8490-8493. doi:10.1021/ic201080z
Schoendorff GE, WA De Jong, MS Gordon, and TL Windus. 2010. "Gas Phase Computational Studies on the Competition Between Nitrile and Water Ligands in Uranyl Complexes." Journal of Physical Chemistry A 114(33):8902-8912. doi:10.1021/jp103227x
Yang L, D Tunega, L Xu, N Govind, R Sun, R Taylor, H Lischka, WA De Jong, and WL Hase. 2013. "Comparison of Cluster, Slab, and Analytic Potential Models for the Dimethyl Methylphosphonate (DMMP)/TiO2 (110) Intermolecular Interaction ." Journal of Physical Chemistry C 117(34):17613-17622.