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Solid oxide fuel cells have become a promising candidate in the development of high-density clean energy sources for the rapidly increasing demands in energy and global sustainability. In order to understand more about solid oxide fuel cells, the important step is to understand how to model heterogeneous materials. Heterogeneous materials

Solid oxide fuel cells have become a promising candidate in the development of high-density clean energy sources for the rapidly increasing demands in energy and global sustainability. In order to understand more about solid oxide fuel cells, the important step is to understand how to model heterogeneous materials. Heterogeneous materials are abundant in nature and also created in various processes. The diverse properties exhibited by these materials result from their complex microstructures, which also make it hard to model the material. Microstructure modeling and reconstruction on a meso-scale level is needed in order to produce heterogeneous models without having to shave and image every slice of the physical material, which is a destructive and irreversible process. Yeong and Torquato [1] introduced a stochastic optimization technique that enables the generation of a model of the material with the use of correlation functions. Spatial correlation functions of each of the various phases within the heterogeneous structure are collected from a two-dimensional micrograph representing a slice of a solid oxide fuel cell through computational means. The assumption is that two-dimensional images contain key structural information representative of the associated full three-dimensional microstructure. The collected spatial correlation functions, a combination of one-point and two-point correlation functions are then outputted and are representative of the material. In the reconstruction process, the characteristic two-point correlation functions is then inputted through a series of computational modeling codes and software to generate a three-dimensional visual model that is statistically similar to that of the original two-dimensional micrograph. Furthermore, parameters of temperature cooling stages and number of pixel exchanges per temperature stage are utilized and altered accordingly to observe which parameters has a higher impact on the reconstruction results. Stochastic optimization techniques to produce three-dimensional visual models from two-dimensional micrographs are therefore a statistically reliable method to understanding heterogeneous materials.
ContributorsPhan, Richard Dylan (Author) / Jiao, Yang (Thesis director) / Ren, Yi (Committee member) / Chemical Engineering Program (Contributor) / Barrett, The Honors College (Contributor)
Created2016-05
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Description
Within recent years, metal-organic frameworks, or MOF’s, have gained a lot of attention in the materials research community. These micro-porous materials are constructed of a metal oxide core and organic linkers, and have a wide-variety of applications due to their extensive material characteristic possibilities. The focus of this study is

Within recent years, metal-organic frameworks, or MOF’s, have gained a lot of attention in the materials research community. These micro-porous materials are constructed of a metal oxide core and organic linkers, and have a wide-variety of applications due to their extensive material characteristic possibilities. The focus of this study is the MOF-5 material, specifically its chemical stability in air. The MOF-5 material has a large pore size of 8 Å, and aperture sizes of 15 and 12 Å. The pore size, pore functionality, and physically stable structure makes MOF-5 a desirable material. MOF-5 holds applications in gas/liquid separation, catalysis, and gas storage. The main problem with the MOF-5 material, however, is its instability in atmospheric air. This inherent instability is due to the water in air binding to the zinc-oxide core, effectively changing the material and its structure. Because of this material weakness, the MOF-5 material is difficult to be utilized in industrial applications. Through the research efforts proposed by this study, the stability of the MOF-5 powder and membrane were studied. MOF-5 powder and a MOF-5 membrane were synthesized and characterized using XRD analysis. In an attempt to improve the stability of MOF-5 in air, methyl groups were added to the organic linker in order to hinder the interaction of water with the Zn4O core. This was done by replacing the terepthalic acid organic linker with 2,5-dimethyl terephthalic acid in the powder and membrane synthesis steps. The methyl-modified MOF-5 powder was found to be stable after several days of exposure to air while the MOF-5 powder exhibited significant crystalline change. The methyl-modified membrane was found to be unstable when synthesized using the same procedure as the MOF-5 membrane.
ContributorsAnderson, Anthony David (Author) / Lin, Jerry Y.S. (Thesis director) / Ibrahim, Amr (Committee member) / Chemical Engineering Program (Contributor) / Barrett, The Honors College (Contributor)
Created2016-05
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Description
Due to the environmental problems caused by global warming, it has become necessary to reduce greenhouse gas emissions across the planet. Biofuels, such as ethanol, have proven to release cleaner emissions when combusted. However, large scale production of these alcohols is uneconomical and inefficient due to limitations in standard separation

Due to the environmental problems caused by global warming, it has become necessary to reduce greenhouse gas emissions across the planet. Biofuels, such as ethanol, have proven to release cleaner emissions when combusted. However, large scale production of these alcohols is uneconomical and inefficient due to limitations in standard separation processes, the most common being distillation. Pervaporation is a novel separation technique that utilizes a specialized membrane to separate multicomponent solutions. In this research project, pervaporation utilizing ZIF-71/PDMS mixed matrix membranes are investigated to see their ability to recover ethanol from an ethanol/aqueous separation. Membranes with varying nanoparticle concentrations were created and their performances were analyzed. While the final results indicate that no correlation exists between nanoparticle weight percentage and selectivity, this technology is still a promising avenue for biofuel production. Future work will be conducted to improve this existing process and enhance membrane selectivity.
ContributorsHoward, Chelsea Elizabeth (Author) / Lind, Mary Laura (Thesis director) / Nielsen, David (Committee member) / Greenlee, Lauren (Committee member) / Barrett, The Honors College (Contributor) / Chemical Engineering Program (Contributor) / Materials Science and Engineering Program (Contributor)
Created2015-05
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Description
Carbon capture is an essential way to reduce greenhouse gas emissions. One way to decrease the emissions is through the use of adsorbents such as zeolites. Dr. Dong-Kyun Seo’s group (School of Molecular Sciences, Arizona State University) synthesized the nanostructured faujasite (NaX). The zeolite was characterized using Scanning Electron Microscopy

Carbon capture is an essential way to reduce greenhouse gas emissions. One way to decrease the emissions is through the use of adsorbents such as zeolites. Dr. Dong-Kyun Seo’s group (School of Molecular Sciences, Arizona State University) synthesized the nanostructured faujasite (NaX). The zeolite was characterized using Scanning Electron Microscopy (SEM) and the physisorption properties were determined using ASAP 2020. ASAP 2020 tests of the nano-zeolite pellets at 77K in a liquid N2 bath determined the BET surface area of 547.1 m2/mol, T-plot micropore volume of 0.2257 cm3/g, and an adsorption average pore width of 5.9 Å. The adsorption isotherm (equilibrium) of CH4, N2, and CO2 were measured at 25ºC. Adsorption isotherm experiments concluded that the linear isotherm was the best fit for N2, and CH4 and the Sips isotherm was a better fit than the Langmuir and Freundlich isotherm for CO2. At 25ºC and 1 atm the zeolite capacity for CO2 is 4.3339 mmol/g, 0.1948 mmol/g for CH4, and 0.3534 mmol/g for N2. The zeolite has a higher CO2 capacity than the conventional NaX zeolite. Breakthrough experiments were performed in a fixed bed 22in, 0.5 in packing height and width at 1 atm and 298 K with nano-zeolite pellets. The gas chromatographer tested and recorded the data every two minutes with a flow rate of 10 cm3/min for N2 and 10 cm3/min CO2. Breakthrough simulations of the zeolite in a fixed bed adsorber column were conducted on MATLAB utilizing varying pressures, flow rates, and fed ratios of various CO2, N2 and CH4. Simulations using ideal adsorbed solution theory (IAST) calculations determined that the selectivity of CO2 in flue gas (15% CO2 + 85% N2) is 571.79 at 1 MPa, significantly higher than commercial zeolites and literature. The nanostructured faujasite zeolite appears to be a very promising adsorbent for CO2/N2 capture from flue gas and the separation of CO2/N2.
ContributorsClark, Krysta D. (Author) / Deng, Shuguang (Thesis director) / Green, Matthew (Committee member) / Chemical Engineering Program (Contributor) / Barrett, The Honors College (Contributor)
Created2018-05
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Description
The recovery of biofuels permits renewable alternatives to present day fossil fuels that cause devastating effects on the planet. Pervaporation is a separation process that shows promise for the separation of ethanol from biologically fermentation broths. The performance of thin film composite membranes of polydimethylsiloxane (PDMS) and zeolite imidazolate frameworks

The recovery of biofuels permits renewable alternatives to present day fossil fuels that cause devastating effects on the planet. Pervaporation is a separation process that shows promise for the separation of ethanol from biologically fermentation broths. The performance of thin film composite membranes of polydimethylsiloxane (PDMS) and zeolite imidazolate frameworks (ZIF-71) dip coated onto a porous substrate are analyzed. Pervaporation performance factors of flux, separation factor and selectivity are measured for varying ZIF-71 loadings of pure PDMS, 5 wt%, 12.5 wt% and 25 wt% at 60 oC with a 2 wt% ethanol/water feed. The increase in ZIF-71 loadings increased the performance of PDMS to produce higher flux, higher separation factor and high selectivity than pure polymeric films.
ContributorsLau, Ching Yan (Author) / Lind, Mary Laura (Thesis director) / Durgun, Pinar Cay (Committee member) / Lively, Ryan (Committee member) / Barrett, The Honors College (Contributor) / School of International Letters and Cultures (Contributor) / Chemical Engineering Program (Contributor)
Created2014-05
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Description
Currently, approximately 40% of the world’s electricity is generated from coal and coal power plants are one of the major sources of greenhouse gases accounting for a third of all CO2 emissions. The Integrated Gasification Combined Cycle (IGCC) has been shown to provide an increase in plant efficiency compared

Currently, approximately 40% of the world’s electricity is generated from coal and coal power plants are one of the major sources of greenhouse gases accounting for a third of all CO2 emissions. The Integrated Gasification Combined Cycle (IGCC) has been shown to provide an increase in plant efficiency compared to traditional coal-based power generation processes resulting in a reduction of greenhouse gas emissions. The goal of this project was to analyze the performance of a new SNDC ceramic-carbonate dual-phase membrane for CO2 separation. The chemical formula for the SNDC-carbonate membrane was Sm0.075Nd0.075Ce0.85O1.925. This project also focused on the use of this membrane for pre-combustion CO2 capture coupled with a water gas shift (WGS) reaction for a 1000 MW power plant. The addition of this membrane to the traditional IGCC process provides a purer H2 stream for combustion in the gas turbine and results in lower operating costs and increased efficiencies for the plant. At 900 °C the CO2 flux and permeance of the SNDC-carbonate membrane were 0.65 mL/cm2•min and 1.0×10-7 mol/m2•s•Pa, respectively. Detailed in this report are the following: background regarding CO2 separation membranes and IGCC power plants, SNDC tubular membrane preparation and characterization, IGCC with membrane reactor plant design, process heat and mass balance, and plant cost estimations.
ContributorsDunteman, Nicholas Powell (Author) / Lin, Jerry (Thesis director) / Dong, Xueliang (Committee member) / Barrett, The Honors College (Contributor) / Chemical Engineering Program (Contributor) / School of Sustainability (Contributor)
Created2014-05
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Description
The two central goals of this project were 1) to develop a testing method utilizing coatings on ultra-thin stainless steel to measure the thermal conductivity (k) of battery electrode materials and composites, and 2) to measure and compare the thermal conductivities of lithium iron phosphate (LiFePO4, "LFP") in industry-standard graphite/LFP

The two central goals of this project were 1) to develop a testing method utilizing coatings on ultra-thin stainless steel to measure the thermal conductivity (k) of battery electrode materials and composites, and 2) to measure and compare the thermal conductivities of lithium iron phosphate (LiFePO4, "LFP") in industry-standard graphite/LFP mixtures as well as graphene/LFP mixtures and a synthesized graphene/LFP nanocomposite. Graphene synthesis was attempted before purchasing graphene materials, and further exploration of graphene synthesis is recommended due to limitations in purchased product quality. While it was determined after extensive experimentation that the graphene/LFP nanocomposite could not be successfully synthesized according to current literature information, a mixed composite of graphene/LFP was successfully tested and found to have k = 0.23 W/m*K. This result provides a starting point for further thermal testing method development and k optimization in Li-ion battery electrode nanocomposites.
ContributorsStehlik, Daniel Wesley (Author) / Chan, Candace K. (Thesis director) / Dai, Lenore (Committee member) / Barrett, The Honors College (Contributor) / Chemical Engineering Program (Contributor)
Created2014-05
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Description
In microbial fuel cells (MFCs) the biocathode is developed as a potential alternative to chemical cathodic catalysts, which are deemed as expensive and unsustainable for applications. These cells utilize different types of microorganisms as catalysts to promote biodegradation of organic matter while simultaneously converting energy released in metabolic reactions into

In microbial fuel cells (MFCs) the biocathode is developed as a potential alternative to chemical cathodic catalysts, which are deemed as expensive and unsustainable for applications. These cells utilize different types of microorganisms as catalysts to promote biodegradation of organic matter while simultaneously converting energy released in metabolic reactions into electrical energy. Most current research have focused more on the anodic microbes, including the current generating bacteria species, anodic microbial community composition, and the mechanisms of the extracellular electron transfer. Compared to the anode, research on the microbes of the biocathode of the MFCs are very limited and are heavily focused on the role of the bacteria in the system. Thus, further understand of the mechanism of the microbial community in the biocathode will create new engineering applications for sustainable energy. Previous research conducted by Strycharz-Glaven et al. presented an electrochemical analysis of a Marinobacter-dominated biocathode communitygrown on biocathodes in sediment/seawater-based MFCs. Chronoamperometry results indicated that current densities up to -0.04 A/m2 were produced for the biocathode. Cyclic voltammetry responses indicated a midpoint potential at 0.196 V ± 0.01 V. However, the reactor design for these experiments showed that no oxygen is supplied to the electrochemical system. By incorporating an air diffusion membrane to the cathode of the reactor, chronoamperometry results have produced current density in the system up to -0.15 A/m2. Cyclic voltammetry results have also displayed a midpoint potential of 0.25 V ± 0.01 V under scan rates of 0.2 mV/s. Thus, this electrochemical setup has increased the current output of the system.
ContributorsWang, Zixuan (Author) / Torres, Cesar (Thesis director) / Hart, Steven (Committee member) / Materials Science and Engineering Program (Contributor) / Chemical Engineering Program (Contributor) / Barrett, The Honors College (Contributor)
Created2016-05
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Description
Even though access to purified water has improved, there are still many people and locations that do not have this convenience. Approximately 1.2 billion people lack access to safe drinking water and 2.6 billion people have little or no sanitation. Furthermore, breakthroughs in water purification technology are essential to combat

Even though access to purified water has improved, there are still many people and locations that do not have this convenience. Approximately 1.2 billion people lack access to safe drinking water and 2.6 billion people have little or no sanitation. Furthermore, breakthroughs in water purification technology are essential to combat these issues. While there are several approaches to water purification, membrane processes are widely used based on their numerous advantages, including high operating temperature and low energy input. In essence, membranes do not require chemical additives, thermal inputs, or regeneration of spent media. The spin coating procedure was used to make a total of 94 membrane samples by adjusting the following variables: membrane support, membrane wetting, solvent, polyacrylonitrile (PAN) content, water contant, Linde Type A (LTA) zeolite content, and the rotations per minute (RPM) of the spin coater. Parameters that were held constant include PAN for the permeable dispersion layer, LTA zeolites as the inorganic filler material, and a spin time of 30 seconds for the spin coater. There were key findings in both the preliminary and core data sets. From the preliminary membrane samples 1 \u2014 40, a baseline was established to use for the core data: polysulfone (PSf) support, 1 \u2014 3% PAN content, and 1 \u2014 3% LTA zeolite content. Flux analysis revealed many inconsistencies in groups 1 \u2014 13 such as unreasonably high error bars (+50%), flow rates that were near zero or extremely high (+15,000 L hr-1 m-2), and lack of a clear trend for membrane specifications. Membranes with a high degree of polymer \u2014 zeolite aggregation on the surface had very low flux values. A higher flux of 4,700 L hr-1 m-2 was correlated to gap and hole formation on the membrane surface. It was shown in group 7 that an increasing degree of surface defects corresponded to an increasing flux of 17,000 L hr-1 m-2. Although the target flux for a defect \u2014 free membrane lies between 500 \u2014 4,000 L hr-1 m-2, there were not any groups with flux values in this range. Attenuated total reflectance Fourier transform infrared (ATR-FTIR) analysis revealed that the observed group similarities could not be attributed to individual membrane specifications. However, this data showed chemical fingerprint overlap across all groups, which were synthesized with varying quantities of the same chemicals. Analysis of flux data, SEM images, and ATR-FTIR data all suggest that the spin coating procedure leads to inconsistent results. Although the spin coater provides flexibility in user control, its advantages are outweighed by the limited control of surface uniformity, zeolite dispersion, and defect formation. It has been shown that the spin coating process is not compatible with the formation of a uniform polymer \u2014 zeolite layer in these experiments.
ContributorsMaltagliati, Alexander Justin (Author) / Lind, Mary Laura (Thesis director) / Durgun, Pinar Cay (Committee member) / Chemical Engineering Program (Contributor) / Barrett, The Honors College (Contributor)
Created2016-12
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Description
Metal-organic frameworks (MOFs) are a new set of porous materials comprised of metals or metal clusters bonded together in a coordination system by organic linkers. They are becoming popular for gas separations due to their abilities to be tailored toward specific applications. Zirconium MOFs in particular are known for their

Metal-organic frameworks (MOFs) are a new set of porous materials comprised of metals or metal clusters bonded together in a coordination system by organic linkers. They are becoming popular for gas separations due to their abilities to be tailored toward specific applications. Zirconium MOFs in particular are known for their high stability under standard temperature and pressure due to the strength of the Zirconium-Oxygen coordination bond. However, the acid modulator needed to ensure long range order of the product also prevents complete linker deprotonation. This leads to a powder product that cannot easily be incorporated into continuous MOF membranes. This study therefore implemented a new bi-phase synthesis technique with a deprotonating agent to achieve intergrowth in UiO-66 membranes. Crystal intergrowth will allow for effective gas separations and future permeation testing. During experimentation, successful intergrown UiO-66 membranes were synthesized and characterized. The degree of intergrowth and crystal orientations varied with changing deprotonating agent concentration, modulator concentration, and ligand:modulator ratios. Further studies will focus on achieving the same results on porous substrates.
ContributorsClose, Emily Charlotte (Author) / Mu, Bin (Thesis director) / Shan, Bohan (Committee member) / Chemical Engineering Program (Contributor) / Barrett, The Honors College (Contributor)
Created2016-12