Energy Technologies: Novel Technologies
Sponsored by: TMS Extraction and Processing Division, TMS Light Metals Division, TMS: Energy Committee, TMS: Pyrometallurgy Committee
Program Organizers: Lei Zhang, University of Alaska Fairbanks ; Jaroslaw Drelich, Michigan Technological University; Neale Neelameggham, Ind LLC; Donna Guillen, Idaho National Laboratory; Nawshad Haque, CSIRO; Jingxi Zhu , Carnegie Mellon University; Ziqi Sun, Queensland University of Technology; Tao Wang, Nucor Steel; John Howarter, Purdue University; Fiseha Tesfaye, Åbo Akademi University

Wednesday 2:00 PM
March 1, 2017
Room: 13
Location: San Diego Convention Ctr

Session Chair: Neale Neelameggham, Ind LLC; Jingxi Zhu, Sun Yat-Sen University; Tao Wang, Nucor Steel

2:00 PM  Invited
Modeling Anthropogenic Heat Flux in Climate Models: Ganesan Subramanian1; Neale Neelameggham2; 1Independent Consultant; 2Ind LLC
    Anthropogenic Heat Flux (AHF) is heat generated from use of non-renewable energy by humans in residential, commercial and industrial activity and is not included in state of the art Global Circulation Models(GCM) used to predict global impacts of climate change and set related policy. AHF is deemed to be a much smaller relative forcing, solely based on the global mean values.. Several papers in the Climate modeling area have highlighted the “Heat Island Effect” in high AHF areas and have modeled the global impact using regional climate models (RCM) embedded in GCMs. Through the use of simple climate models, this paper demonstrates that significant pockets of AHF can impact climate locally in ways significant enough to impact global climate. Inclusion of recently available spatial AHF distribution, rather than a global mean value is a key determinant to accurate modeling either on a regional or global scale.

2:30 PM  Invited
Development of a Fluidized-Bed Ash Agglomeration Modeling Methodology to Include Particle-Level Heterogeneities in Ash Chemistry and Granular Physics: Aditi Khadilkar1; Peter Rozelle2; Sarma Pisupati1; 1Penn State University; 2US Department of Energy
    In fluidized bed gasification and combustion systems, agglomeration occurs by sticking of fuel ash particles that are wetted by slag-liquid. The non-uniform temperature, gaseous atmosphere and heterogeneity in ash chemical composition need to be accounted for in the prediction of the slag-liquid formation and composition. Penn State developed a modelling methodology in which thermodynamic equilibrium calculations are used to estimate the amount of slag-liquid in the system and computational fluid dynamics modeling is used in conjunction to obtain the initial granular physics inputs. The results of this study indicated that agglomerate growth in fluidized bed combustors (FBC) is initiated at the particle-level by low-melting components rich in iron- and calcium-based minerals. Study of particle-level heterogeneities in ash composition revealed that agglomeration can begin at lower temperatures than the FBC operating temperatures of 850 °C, which would be remain undetected by bulk analysis alone.

2:50 PM  Invited
In-situ Microscopic Study of Morphology Changes in Natural Hematite and Cu-spinel Particles during Cyclic Redox Gas Exposures for Chemical Looping Applications: Anna Nakano1; Jinichiro Nakano1; James Bennett2; 1US Department of Energy National Energy Technology Laboratory/ AECOM; 2US Department of Energy National Energy Technology Laboratory
    Efficiency of the chemical looping combustion technology is adversely influenced by degradation of oxygen carrier materials during oxidation-reduction process changes at elevated temperatures. In this work, natural hematite (Fe2O3) and alumina (Al2O3) supported Cu-spinel (CuFe2O4) oxygen carrier particles were isothermally exposed to redox gas cycles (air and 10 vol.% CO-90 vol.% Ar) at approximately 800 °C and studied using a high temperature confocal scanning laser microscope for real time alterations in surface morphology, roughness, and particle volume. 3D topological scans from each cyclic gas exposure indicated hematite particles exhibited noticeable volume expansion in reduction and shrinkage in oxidation, corresponding to respective phase transformations. Materials degradation during the redox gas cycles is discussed.

3:10 PM  
Thermodynamic Stability of Condensed Phases in the Ternary System CaO-Cu-O by the EMF Method: Joseph Hamuyuni1; Pekka Taskinen1; Dmitry Sukhomlinov1; Mari Lundström1; 1Aalto University School of Chemical Technology
    The standard thermodynamic properties of solid phases were determined electrochemically by the EMF method. The ternary phase Ca2CuO3 was synthesized from the pure oxides CaO and CuO under CaO saturation using a ceramic route. The electromotive force measurements were performed over a wide temperature range. The standard Gibbs energy of formation of the ternary compound Ca2CuO3 was determined using the EMF technique.

3:30 PM Break

3:45 PM  
{Ti,Zr}NiSn - based High ZT Spinodal Thermoelectrics: Peter Rogl1; Andrij Grytsiv1; Matthias Gürth1; Philip Sauerschnig1; Jan Vrestal2; Vitalij Romaka3; Gerda Rogl1; Kunio Yubuta4; Ernst Bauer5; 1University of Vienna; 2Masaryk University; 3Lviv Polytechnic National University; 4Tohoku University; 5Vienna University of Technology
    Hitherto non-centrosymmetric multi-component half-Heusler phases have proven to be excellent thermoelectrics. Large-scale production and particularly nanostructuring of TiNiSn-based thermoelectric materials by preferably system-inherent phases need a profound knowledge not only of isothermal phase relations, temperature dependent solubilities but also of the solidification behavior. The present paper covers a detailed experimental investigation (backed by SEM/TEM analyses, DFT) of the constitution of the {Ti,Zr}-Ni-Sn systems including a liquidus projection and a Scheil diagram, as well as a CALPHAD calculation. For the binary systems TiNiSn-ZrNiSn and TiNiSn-HfNiSn, thermodynamic spinodal/binodal curves as well as coherent spinodal demixing have been determined from solubility data and DFT calculations. Among Ti1-x-yZrxHfyNiSn1-zSbz compounds the thermoelectric behavior reached ZT ~ 1.2 at 850 K for Hf-free n-type Ti0.5Zr0.5NiSn0.98Sb0.02 yielding an thermoelectric efficiency  ~ 11%. These excellent TE data prove that Hf-free and therefore cheap half-Heusler alloys can be promising materials for a large scale production route.

4:05 PM  
Experimental Study on Electro-spraying of Ethanol Based on PDA Measurement: Haige Li1; Yunhua Gan1; Xiaowen Chen1; Yang Tong1; Meilong Hu2; 1South China University of Technology; 2Chongqing University
    Ethanol is a kind of renewable fuel, which can be produced from biomass and applied in many energy areas, such as motorcar. The combustion of ethanol in meso-scale faces great challenges, such as much heat loss, poor stability, and low combustion efficiency. Electro-spraying technique is very suitable method to atomize the liquid ethanol due to its great advantage of monodisperse and uniform characteristics. In present study, electro-spraying was applied in liquid meso-scale micro-combustor to produce very small and uniform droplet. Experiments were carried out based on nozzle-ring-plane electrode structure using liquid pure ethanol as fuel. Electro-spraying characteristics were measured by Phase Doppler Anemometer (PDA) under the different nozzle voltages, ring electrode voltages, flow rates, steel mesh positions. The results may give help for the design of new meso-scale electro-spraying combustor using renewable liquid fuel.