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Title: Annual Report: Carbon Capture (30 September 2012)

Abstract

Capture of carbon dioxide (CO{sub 2}) is a critical component in reducing greenhouse gas emissions from fossil fuel-based processes. The Carbon Capture research to be performed is aimed at accelerating the development of efficient, cost-effective technologies which meet the post-combustion programmatic goal of capture of 90% of the CO{sub 2} produced from an existing coal-fired power plant with less than a 35% increase in the cost of electricity (COE), and the pre-combustion goal of 90% CO{sub 2} capture with less than a 10% increase in COE. The specific objective of this work is to develop innovative materials and approaches for the economic and efficient capture of CO{sub 2} from coal-based processes, and ultimately assess the performance of promising technologies at conditions representative of field application (i.e., slip stream evaluation). The Carbon Capture research includes seven core technical research areas: post-combustion solvents, sorbents, and membranes; pre-combustion solvents, sorbents, and membranes; and oxygen (O{sub 2}) production. The goal of each of these tasks is to develop advanced materials and processes that are able to reduce the energy penalty and cost of CO{sub 2} (or O{sub 2}) separation over conventional technologies. In the first year of development, materials will be examined by molecularmore » modeling, and then synthesized and experimentally characterized at lab scale. In the second year, they will be tested further under ideal conditions. In the third year, they will be tested under realistic conditions. The most promising materials will be tested at the National Carbon Capture Center (NCCC) using actual flue or fuel gas. Systems analyses will be used to determine whether or not materials developed are likely to meet the Department of Energy (DOE) COE targets. Materials which perform well and appear likely to improve in performance will be licensed for further development outside of the National Energy Technology Laboratory (NETL), Office of Research and Development (ORD).« less

Authors:
; ; ;
Publication Date:
Research Org.:
National Energy Technology Lab. (NETL), Pittsburgh, PA, and Morgantown, WV (United States). In-house Research
Sponsoring Org.:
USDOE Office of Fossil Energy (FE)
OSTI Identifier:
1129030
Report Number(s):
NETL-PUB-977
Resource Type:
Technical Report
Country of Publication:
United States
Language:
English
Subject:
20 FOSSIL-FUELED POWER PLANTS; 36 MATERIALS SCIENCE

Citation Formats

Luebke, David, Morreale, Bryan, Richards, George, and Syamlal, Madhava. Annual Report: Carbon Capture (30 September 2012). United States: N. p., 2014. Web. doi:10.2172/1129030.
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Luebke, David, Morreale, Bryan, Richards, George, & Syamlal, Madhava. Annual Report: Carbon Capture (30 September 2012). United States. doi:10.2172/1129030.
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Luebke, David, Morreale, Bryan, Richards, George, and Syamlal, Madhava. Wed . "Annual Report: Carbon Capture (30 September 2012)". United States. doi:10.2172/1129030. https://www.osti.gov/servlets/purl/1129030.
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@article{osti_1129030,
title = {Annual Report: Carbon Capture (30 September 2012)},
author = {Luebke, David and Morreale, Bryan and Richards, George and Syamlal, Madhava},
abstractNote = {Capture of carbon dioxide (CO{sub 2}) is a critical component in reducing greenhouse gas emissions from fossil fuel-based processes. The Carbon Capture research to be performed is aimed at accelerating the development of efficient, cost-effective technologies which meet the post-combustion programmatic goal of capture of 90% of the CO{sub 2} produced from an existing coal-fired power plant with less than a 35% increase in the cost of electricity (COE), and the pre-combustion goal of 90% CO{sub 2} capture with less than a 10% increase in COE. The specific objective of this work is to develop innovative materials and approaches for the economic and efficient capture of CO{sub 2} from coal-based processes, and ultimately assess the performance of promising technologies at conditions representative of field application (i.e., slip stream evaluation). The Carbon Capture research includes seven core technical research areas: post-combustion solvents, sorbents, and membranes; pre-combustion solvents, sorbents, and membranes; and oxygen (O{sub 2}) production. The goal of each of these tasks is to develop advanced materials and processes that are able to reduce the energy penalty and cost of CO{sub 2} (or O{sub 2}) separation over conventional technologies. In the first year of development, materials will be examined by molecular modeling, and then synthesized and experimentally characterized at lab scale. In the second year, they will be tested further under ideal conditions. In the third year, they will be tested under realistic conditions. The most promising materials will be tested at the National Carbon Capture Center (NCCC) using actual flue or fuel gas. Systems analyses will be used to determine whether or not materials developed are likely to meet the Department of Energy (DOE) COE targets. Materials which perform well and appear likely to improve in performance will be licensed for further development outside of the National Energy Technology Laboratory (NETL), Office of Research and Development (ORD).},
doi = {10.2172/1129030},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Apr 16 00:00:00 EDT 2014},
month = {Wed Apr 16 00:00:00 EDT 2014}
}
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DOI:  10.2172/1129030
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  • ; ; ; ...
    The Carbon Capture Simulation Initiative (CCSI) is a partnership among national laboratories, industry and academic institutions that is developing and deploying state-of-the-art computational modeling and simulation tools to accelerate the commercialization of carbon capture technologies from discovery to development, demonstration, and ultimately the widespread deployment to hundreds of power plants. The CCSI Toolset will provide end users in industry with a comprehensive, integrated suite of scientifically validated models, with uncertainty quantification (UQ), optimization, risk analysis and decision making capabilities. The CCSI Toolset incorporates commercial and open-source software currently in use by industry and is also developing new software tools asmore » necessary to fill technology gaps identified during execution of the project. Ultimately, the CCSI Toolset will (1) enable promising concepts to be more quickly identified through rapid computational screening of devices and processes; (2) reduce the time to design and troubleshoot new devices and processes; (3) quantify the technical risk in taking technology from laboratory-scale to commercial-scale; and (4) stabilize deployment costs more quickly by replacing some of the physical operational tests with virtual power plant simulations. CCSI is organized into 8 technical elements that fall under two focus areas. The first focus area (Physicochemical Models and Data) addresses the steps necessary to model and simulate the various technologies and processes needed to bring a new Carbon Capture and Storage (CCS) technology into production. The second focus area (Analysis & Software) is developing the software infrastructure to integrate the various components and implement the tools that are needed to make quantifiable decisions regarding the viability of new CCS technologies. CCSI also has an Industry Advisory Board (IAB). By working closely with industry from the inception of the project to identify industrial challenge problems, CCSI ensures that the simulation tools are developed for the carbon capture technologies of most relevance to industry. CCSI is led by the National Energy Technology Laboratory (NETL) and leverages the Department of Energy (DOE) national laboratories' core strengths in modeling and simulation, bringing together the best capabilities at NETL, Los Alamos National Laboratory (LANL), Lawrence Berkeley National Laboratory (LBNL), Lawrence Livermore National Laboratory (LLNL), and Pacific Northwest National Laboratory (PNNL). The CCSI's industrial partners provide representation from the power generation industry, equipment manufacturers, technology providers and engineering and construction firms. The CCSI's academic participants (Carnegie Mellon University, Princeton University, West Virginia University, and Boston University) bring unparalleled expertise in multiphase flow reactors, combustion, process synthesis and optimization, planning and scheduling, and process control techniques for energy processes. During Fiscal Year (FY) 12, CCSI released its first set of computational tools and models. This pre-release, a year ahead of the originally planned first release, is the result of intense industry interest in getting early access to the tools and the phenomenal progress of the CCSI technical team. These initial components of the CCSI Toolset provide new models and computational capabilities that will accelerate the commercial development of carbon capture technologies as well as related technologies, such as those found in the power, refining, chemicals, and gas production industries. The release consists of new tools for process synthesis and optimization to help identify promising concepts more quickly, new physics-based models of potential capture equipment and processes that will reduce the time to design and troubleshoot new systems, a framework to quantify the uncertainty of model predictions, and various enabling tools that provide new capabilities such as creating reduced order models (ROMs) from reacting multiphase flow simulations and running thousands of process simulations concurrently for optimization and UQ.« less

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    The Carbon Capture Simulation Initiative (CCSI) is a partnership among national laboratories, industry and academic institutions that is developing and deploying state-of-the-art computational modeling and simulation tools to accelerate the commercialization of carbon capture technologies from discovery to development, demonstration, and ultimately the widespread deployment to hundreds of power plants. The CCSI Toolset will provide end users in industry with a comprehensive, integrated suite of scientifically validated models, with uncertainty quantification (UQ), optimization, risk analysis and decision making capabilities. The CCSI Toolset incorporates commercial and open-source software currently in use by industry and is also developing new software tools asmore » necessary to fill technology gaps identified during execution of the project. Ultimately, the CCSI Toolset will (1) enable promising concepts to be more quickly identified through rapid computational screening of devices and processes; (2) reduce the time to design and troubleshoot new devices and processes; (3) quantify the technical risk in taking technology from laboratory-scale to commercial-scale; and (4) stabilize deployment costs more quickly by replacing some of the physical operational tests with virtual power plant simulations. CCSI is led by the National Energy Technology Laboratory (NETL) and leverages the Department of Energy (DOE) national laboratories’ core strengths in modeling and simulation, bringing together the best capabilities at NETL, Los Alamos National Laboratory (LANL), Lawrence Berkeley National Laboratory (LBNL), Lawrence Livermore National Laboratory (LLNL), and Pacific Northwest National Laboratory (PNNL). The CCSI’s industrial partners provide representation from the power generation industry, equipment manufacturers, technology providers and engineering and construction firms. The CCSI’s academic participants (Carnegie Mellon University, Princeton University, West Virginia University, Boston University and the University of Texas at Austin) bring unparalleled expertise in multiphase flow reactors, combustion, process synthesis and optimization, planning and scheduling, and process control techniques for energy processes. During Fiscal Year (FY) 13, CCSI announced the initial release of its first set of computational tools and models during the October 2012 meeting of its Industry Advisory Board. This initial release led to five companies licensing the CCSI Toolset under a Test and Evaluation Agreement this year. By the end of FY13, the CCSI Technical Team had completed development of an updated suite of computational tools and models. The list below summarizes the new and enhanced toolset components that were released following comprehensive testing during October 2013. 1. FOQUS. Framework for Optimization and Quantification of Uncertainty and Sensitivity. Package includes: FOQUS Graphic User Interface (GUI), simulation-based optimization engine, Turbine Client, and heat integration capabilities. There is also an updated simulation interface and new configuration GUI for connecting Aspen Plus or Aspen Custom Modeler (ACM) simulations to FOQUS and the Turbine Science Gateway. 2. A new MFIX-based Computational Fluid Dynamics (CFD) model to predict particle attrition. 3. A new dynamic reduced model (RM) builder, which generates computationally efficient RMs of the behavior of a dynamic system. 4. A completely re-written version of the algebraic surrogate model builder for optimization (ALAMO). The new version is several orders of magnitude faster than the initial release and eliminates the MATLAB dependency. 5. 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An updated and unified set of compressor models including steady-state design point model and dynamic model with surge detection. 13. A new framework for the synthesis and optimization of coal oxycombustion power plants using advanced optimization algorithms. This release focuses on modeling and optimization of a cryogenic air separation unit (ASU). 14. A new technical risk model in spreadsheet format. 15. An updated version of the sorbent kinetic/equilibrium model for parameter estimation for the 1st generation sorbent model. 16. An updated process synthesis superstructure model to determine optimal process configurations utilizing surrogate models from ALAMO for adsorption and regeneration in a solid sorbent process. 17. Validation models for NETL Carbon Capture Unit utilizing sorbent AX. Additional validation models will be available for sorbent 32D in 2014. 18. An updated hollow fiber membrane model and system example for carbon capture. 19. An updated reference power plant model in Thermoflex that includes additional steam extraction and reinjection points to enable heat integration module. 20. An updated financial risk model in spreadsheet format.« less

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    The Advanced Combustion Project addresses fundamental issues of fire-side and steam-side corrosion and materials performance in oxy-fuel combustion environments and provides an integrated approach into understanding the environmental and mechanical behavior such that environmental degradation can be ameliorated and long-term microstructural stability, and thus, mechanical performance can lead to longer lasting components and extended power plant life. The technical tasks of this effort are Oxy-combustion Environment Characterization, Alloy Modeling and Life Prediction, and Alloy Manufacturing and Process Development.

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    The comprehensive research plan for FY12 focuses on Solid State Energy Conversion Alliance (SECA) programmatic targets and includes objectives in three primary focus areas: (1) investigation of degradation modes exhibited by the anode/electrolyte/cathode (AEC), development of computational models describing the associated degradation rates, and generation of a modeling tool predicting long-term AEC degradation response, (2) generation of novel cathode materials and microstructures, and implementation of the improved cathode technology to enhance performance, and (3) completion of a proof of concept molten catalytic gasification study.

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    The thermochemical conversion of fossil fuels through gasification will likely be the cornerstone of future energy and chemical processes due to its flexibility to accommodate numerous feeds (coal, biomass, natural gas, municipal waste, etc.) and to produce a variety of products (heat, specialty chemicals, power, etc.), as well as the inherent nature of the process to facilitate near zero emissions. Currently, the National Energy Technology Laboratory (NETL) Fuels Program has two pathways for syngas utilization: The production of transportation fuels, chemicals, or chemical intermediates. The hydrogen production as an intermediate for power production via advanced combustion turbines or fuel cells.more » Work under this activity focuses on the production, separation, and utilization of hydrogen from syngas using novel separation materials and processes. Advanced integrated gasification combined cycle (IGCC) schemes require the production of clean hydrogen to fuel innovative combustion turbines and fuel cells. This research focuses on the development and assessment of membranes tailored for application in the severe environments associated with syngas conversion. The specific goals of this research include: Provide data needed to fully understand the impact of syngas environments and hydrogen removal on relevant hydrogen separation materials. Utilize the understanding of material stability to engineer a membrane tailored for operations in the severe environments associated with syngas conversion. Provide unbiased evaluation of hydrogen separation membranes being developed within the Fuels Program. Precious metals and alloys of historic interest (Pd, Cu, Ag, Au, Pt), as well as novel materials (carbides and phosphides) are candidates for evaluation of function as hydrogen separation membranes. The first step in the transport of hydrogen through dense metals is the adsorption and dissociation of hydrogen on the membrane surface. Observation shows that coal-based syngas contaminants can dramatically influence this process. Therefore, systems studies will determine the optimum location of a given membrane technology in the process, as well as the likely conditions that separation technologies will be exposed to at this location. Experiments are conducted to assess the effect of these conditions on the catalytic activity of the membrane surface in order to identify compositions which have promising combinations of acceptable flux and extended functionality in realistic environments. Efforts under this task were centered around the interpretation of test results and conclusions from previous work in preparation for various submissions to the scientific literature throughout fiscal year 2012 (FY12). The primary goal for efforts under these funds is to conduct limited amounts of experimental testing and/or computational work to complete the studies, followed by compilation and submission of technical manuscripts to peer-reviewed scientific journals. During the past year, work has continued on developing separation materials that are resistant to environments containing H{sub 2}S. Previous work on PdCu has indicated that over a range of PdCu compositions, PdCu is resistant to bulk corrosion by H{sub 2}S. In addition, at certain conditions, PdCu is also resistant to surface poisoning by H{sub 2}S. However, the temperature range at which PdCu is resistant to surface poisoning (> 600°C) is above those temperatures typically encountered in an IGCC flowsheet. Application of knowledge of the binary material will allow development of more complex alloys, as it is unlikely that a simple binary alloy will perform acceptably in all required dimensions, so efforts will focus on engineering ternary alloys that are more promising. Because ternary composition space is so large, high-throughput tools allow us to understand dissociation activity and response to H{sub 2}S across a complex composition space using composition spread alloy film (CSAF) tools. The high-throughput tools have been fully developed and have already provided insight into the fundamentals of surface segregation, dissociation, and H{sub 2}S response in Pd alloys for H{sub 2} separation. Sulfur uptake is a critical parameter in determining whether a membrane will corrode in the presence of H{sub 2}S. Testing of a ternary PdAuCu alloy found that the lowest S uptake was observed in the vicinity of Pd{sub 40}Au{sub 40}Cu{sub 20}, suggesting that compositions in this compositional region may display resistance to corrosion by H{sub 2}S for separation applications. Sulfur uptake also may indicate surface poisoning, which will hamper dissociation of hydrogen and essentially shut off transport through the membrane. Using the CSAF tool, H{sub 2}-D{sub 2} exchange kinetics were measured across the surface of a Cu{sub x}Pd{sub 1-x} composition spread library. The surface is most active for H{sub 2} dissociation at high Pd composition, where the alloy has face centered cubic (FCC) order. This result provides a fundamental basis for rational design of alloy membrane surfaces with high activity for H{sub 2} dissociation. Work continued on developing separation materials that are resistant to contaminated syngas environments. Previous work on binary materials has been expanded to more complex alloys, as it is unlikely that a simple binary alloy will perform acceptably in all required dimensions. Efforts focused on engineering ternary alloys that are more promising. Because ternary composition space is so large, high-throughput CSAF tools have been developed and continue to be used to provide insight into the fundamentals of surface segregation, dissociation, and H{sub 2}S response in Pd alloys for H{sub 2} separation. Efforts continued to characterize the dissociation and recombination activities of CuPd surfaces using the high-throughput CSAF sample libraries. H{sub 2}-D{sub 2} exchange kinetics were measured across the surface of a Cu{sub x}Pd{sub 1-x} CSAF, with activity being observed to increase with both temperature and Pd content in the alloy. A microkinetic model of the exchange reaction was developed to extract fundamental kinetic parameters from the raw reaction data. Preliminary results suggest that the kinetic parameter E{sub ads}, the energetic barrier to dissociative adsorption of H{sub 2} correlates with the details of the valence level electronic structure throughout composition space. This finding contributes to a fundamental understanding of H{sub 2} dissociation on alloy surfaces for separation applications. Exposure of PdCuX ternary alloys (X=Mg or Al) to H{sub 2}S (1000 ppm H{sub 2}S in H{sub 2}, 500°C, 16 hours) showed that the presence of Mg and Al led to more corrosion of the PdCu alloy. This indicates that minor components Mg and Al may not be good choices for inclusion in ternary alloys with Pd and Cu. Exposure tests for PdCuX ternary alloys (X=Mg, Al, or Y) to simulated syngas containing H{sub 2}S at levels including 0, 20, 100, 1,000, and 10,000 ppm H2S at 500°C for 120 hours showed that at H{sub 2}S levels below 100 ppm, the presence of Mg and Al led to minimal corrosion of the PdCuX alloy, while Y showed evidence of significantly more corrosion. At higher levels of H{sub 2}S (1,000 and 10,000 ppm), addition of Mg and Al had no significant effect on corrosion resistance, while the presence of Y showed a significant detrimental effect on corrosion resistance. Experiments also attempted to identify the mechanism of surface oxidation of the PdCuY alloy. Based on X-ray photoelectron spectroscopy (XPS) data, it appears that in the presence of oxygen, Y-oxides form at the top surface of the alloy. It does not appear that Y is a good choice for inclusion in ternary alloys with Pd and Cu for separation applications in syngas. Lab facility improvements were completed to allow membrane testing in both clean gaseous environments (H{sub 2}, CO{sub 2}, He, Ar, and N{sub 2}), as well as H{sub 2}S-contaminated environments. This improvement returned the capability for testing membranes in the presence of H{sub 2}S, which is a critical capability for the evaluation of membrane materials being developed at NETL. Membrane testing in both clean gaseous environments (pure H{sub 2}), as well as H{sub 2}S-contaminated environments (H{sub 2} with 1000 ppm H{sub 2}S) was conducted using the low pressure tubular reactor (LPTR) systems brought on-line this fiscal year. Overall, ten membrane tests were conducted during the quarter, with varying degrees of success. In one instance, a Pd-Cu membrane developed externally was tested in pure H{sub 2}, with the resulting performance being roughly 7% of that of pure Pd. In another instance, a PdCuMg membrane was tested in an initial feed of pure H{sub 2}, and then the feed was switched to 1,000 ppm H{sub 2}S in H{sub 2}. Exposure to H{sub 2}S caused the flux to fall to unmeasurable levels. In general, materials either provided very low H2 flux (at or near the measurable limit of the system) or failed mechanically. Efforts to determine failure mechanisms are on-going. Surface analysis of several alloys that have been exposed to real syngas at the National Carbon Capture Center (NCCC) experimental gasifier indicate that in addition to the expected sulfides, arsenide compounds were also found to have formed on membrane surface regions (up to several weight percent) and major surface restructuring occurred which can be linked to the growth of surface compounds such as sulfides and arsenides. These results show the importance of testing under real conditions by revealing the corrosion effects that even minor gas stream constituents such as As and Se can have on membrane materials. The results of experimental exposure tests were compared to those predicted by stability diagrams. The results of the exposure tests and the post-exposure characterization of the reaction surfaces agree well overall with the results predicted by the phase stability diagrams. The alloys that consist of part or all of the body-centered-cubic (bcc) phase (Cu{sub 50}Pd, Cu{sub 40}Pd, and Cu{sub 34}Pd) demonstrated significantly higher sulfidation resistance compared to the FCC phase (Cu{sub 70}Pd and pure Pd), indicating that alloying with copper significantly improves palladium's resistance to sulfidation. An assessment of the experiments and modeling work that was performed by Eltron, as well as the design of the proposed larger scale process development unit (PDU), was conducted and uncovered a potential issue in the substitution of a heat-exchanger tool as a surrogate for a mass-exchanger, which does not account for the fact that the mass flow in the two streams is changing through the system, which would then change the mass transfer coefficient. In addition, computational fluid dynamics (CFD) simulations performed by the group did not include an active membrane, only the flow around the tube and baffles. Exposure tests were conducted to provide the CFD modeling group with experimental data to aid in construction and validation of their CFD model. Parameters that were determined include leakage rates, effect of sweep rate on hydrogen flux, and effect of feed flow rate on hydrogen flux. It was determined that hydrogen flux increased with both sweep rate and with feed rate; however, at the higher end of the feed flow rate only small increases in flux were observed. A model using CFD to develop and design a membrane reactor was created and experimental data obtained in Task 6.0 was used to run five simulations of the model. The model predicted much higher H{sub 2} recovery than the experiment achieved. While the reasons behind the over-predictions continue to be investigated in conjunction with the experimental team, the goal remains to validate the computational approach so that larger scale designs can be modeled.« less