We are facing an energy crisis because of the limitation of the fossil fuel and the pollution caused by burning it. Clean energy technologies, such as fuel cells and metal-air batteries, are studied extensively because of this high efficiency and less pollution. Oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) are essential in the process of energy storage and conversion, and noble metals (e.g. Pt) are needed to catalyze the critical chemical reactions in these devices. Functionalized carbon nanomaterials such as heteroatom-doped and molecule-adsorbed graphene can be used as metal-free catalysts to replace the expensive and scarce platinum-based catalysts for the energy storage and conversion. Traditionally, experimental studies on the catalytic performance of carbon nanomaterials have been conducted extensively, however, there is a lack of computational studies to guide the experiments for rapid search for the best catalysts. In addition, theoretical mechanism and the rational design principle towards ORR and OER also need to be fully understood. In this dissertation, density functional theory calculations are performed to calculate the thermodynamic and electrochemical properties of heteroatom-doped graphene and molecule-adsorbed graphene for ORR and OER. Gibb's free energy, overpotential, charge transfer and edge effect are evaluated. The charge transfer analysis show the positive charges on the graphene surface caused by the heteroatom, hetero-edges and the adsorbed organic molecules play an essential role in improving the electrochemical properties of the carbon nanomaterials. Based on the calculations, design principles are introduced to rationally design and predict the electrochemical properties of doped graphene and molecule-adsorbed graphene as metal-free catalysts for ORR and OER. An intrinsic descriptor is discovered for the first time, which can be used as a materials parameter for rational design of the metal-free catalysts with carbon nanomaterials for energy storage and conversion. The success of the design principle provides a better understanding of the mechanism behind ORR and OER and a screening approach for the best catalyst for energy storage and conversion.

Utsläpp av koldioxid från användandet av energi från fossila bränslen orsakar jordens uppvärmning och är ett stort miljöproblem. Den samhällsnisch vi människor skapat bygger på fossil energi och det har växt till ett beroende av fossila bränslen som energikälla. Teorin vägbundenhet beskriver och ger förklaring på hur beroende formas och bevaras, men teorin beskriver även hur beroenden kan brytas. Studiens syfte är att undersöka vilka möjligheterna är för vätgas- och bränslecellstekniken att vara en del av lösningen, en pusselbit i omställning till fossiloberoende energisystem. Analysmetoden som används är tematisk analys och det empiriska materialet består av tidningsartiklar som handlar om vätgas- och bränslecellsteknik. Tematisk analys innebär studier av mönster och hur teman skildras och förändras över tid. Teman är valda utifrån forskningsfrågorna. Analysresultatet visar på förändringar i beskrivning och skildring av teman. De förändringar som iakttagits beskrivs och diskuteras mot teori och tidigare forskning för att slutligen leda fram till ett svar på forskningsfrågan; ”Hur ser möjligheterna ut för vätgas- och bränslecellstekniken att vara en del i omställning till ett fossiloberoende samhälle?”. Slutsatsen är att det finns möjligheter för vätgas och bränsleceller att vara en del i konstruktionen av en ny samhällsnisch. / Emissions of carbon dioxide from the use of energy from fossil fuels cause global warming and are a major environmental problem. The social niche we humans have created is based on fossil energy and it has grown into a dependence on fossil fuels as an energy source. The theory of path dependence describes and provides an explanation of how addiction is formed and preserved, but the theory also describes how addictions can be broken. The purpose of the study is to investigate what the possibilities are for hydrogen and fuel cell technology to be part of the solution, a piece of the puzzle in the conversion to fossil-independent energy systems. The analysis method used is thematic analysis and the empirical material consists of newspaper articles that deal with hydrogen and fuel cell technology. Thematic analysis involves studies of patterns and how themes are portrayed and changed over time. Themes are selected based on the research questions. The analysis results show changes in the description and description of themes. The changes observed are described and discussed against theory and previous research to finally lead to an answer to the research question; "What are the opportunities for hydrogen and fuel cell technology to be part of the transition to a fossil-independent society?" The conclusion is that there are opportunities for hydrogen and fuel cell technology to be part of the construction of a new social niche.

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The goal of this research was to utilize the morphological control inherently imparted by the electrospinning process to improve the active layer performance in energy conversion devices as well as to better understand the relationship between morphology and performance in energy storage devices. Discrete control of the active layer morphology can promote exciton dissociation in organic photovoltaic cells (OPVs), whereas developing efficient ion diffusion pathways and beneficial polymer-ion interaction in polymer-gel electrolytes is demonstrated to result in enhanced battery performance. We demonstrate the ability to develop unique morphologies in Poly(3-hexafluoro propylene) (P3HT) films with energy storage applications using various electrospinning techniques. Electrospinning in a solvent-saturated atmosphere allows for the design of ribbon architectures with polymer domains on the order of 5-10 um. These ribbon structures form what appear to be bi-continuous films, which could then be filled with an acceptor / fullerene type material to create a bulk heterojucton for OPV devices. Dropping chloroform onto the electrospinning needle during the spinning process results in P3HT fibers with porous surfaces. These fibers have diameters of ~ 2 um. Using a coaxial needle to electrospin a P3HT solution in the core, and a CHCl3 sheath solution created hybrid ribbon-fiber structures. These structures have even smaller domain sizes than the ribbons created using a solvent saturated atmosphere. Cospinning P3HT with sacrificial polymers results in P3HT fiber morphologies upon removal of the sacrificial template polymer. Additionally, introducing P3HT into an established fiber matrix results in fibrous P3HT architectures after the template fibers are removed. Developing hybrid polymer-gel electrolytes using crosslinked PEO electrospun fibers results in membranes with high affinity for liquid electrolyte components. These electrospun PEO fiber mats exhibit excellent ionic conductivities at room temperature (12 mS/cm) exceeding an electrospun PVDF control. Furthermore, the PEO fiber mats can absorb nearly three times as much liquid electrolyte as the PVDF control. PEO has been show to interact with lithium salts to aid in dissociation and diffusion during battery cycling. Although the ionic conductivity data suggest PEO to be a superior electrolyte, pulsed-field-gradient NMR shows that lithium diffusion is faster in PVDF samples. From coin cell discharge experiments, PEO is believed to interact strongly with Li+ ions, inhibiting them from diffusing rapidly during fast charge/discharge rates. However, PEO/PETA fiber electrolytes show nearly 100% theoretical capacity discharge at C/100 and a capacity retention of ~ 35% at a C/5 discharge rate in contrast to a glass fiber separator which shows only a capacity that is approximately 85% of the theoretical value. The unique mechanical properties of PEO/PETA electrospun mats could lead to interesting artificial skin and wound healing applications. Upon crosslinking at elevated temperatures (~40 degrees C), the fiber mats exhibit improved tensile strength and much higher ultimate stress at break. The porous nature of the materials lend to easy oxygen diffusion for wound healing, and the hydrophilicity promotes continued adhesion to existing tissue making these mats possible adhesive-less bandages. / Ph. D.

<p dir="ltr">Lithium-ion (Li-ion) batteries are promising electrochemical energy storage and conversion systems to drive the rechargeable world toward a sustainable future. Following the breakthrough of material innovations, advanced Li-ion batteries have significantly mitigated the range and lifetime anxieties of electric vehicles (EVs) and consumer electronics. Nevertheless, state-of-the-art Li-ion chemistries still suffer from several defects, such as rapid degradations under abusive or fast-charge scenarios and unfavorable high thermal instabilities. Essentially, aging mechanisms and safety hazards of Li-ion cells are strongly coupled events. The cell safety factors are most likely to be deteriorated as degradation progresses, making the cell less safe after a long-term deployment. In this thesis, we comprehensively investigate thermo-electrochemical interactions on the safety of Li-ion batteries. Fundamental principles of Li-ion batteries, basic knowledge about material-level thermal instabilities at electrode-electrolyte interphases, thermal characterization approaches, and thermal runaway mechanisms under abusive scenarios are fully overviewed. Thermally unstable characteristics of key cell components, including inter-electrode crosstalk as a result of oxygen liberation from cathode lattice structures, significant electric energy release from massive internal short circuit due to separator collapse, anode-centric lithium-plating-induced early exotherm, and silicon-dopant-driven thermal risks of composite anodes, are specifically discussed to understand their critical role in accelerating cell-level thermal runaway catastrophes. Aging pathways of Li-ion cells under off-normal conditions, particularly overdischarge and fast charging, are thoroughly elucidated using a promising reference electrode architecture, which effectively deconvolutes the electrode behaviors from the complex full-cell performance for precise identification of the root causes in cell failure. Given the profound revelation of degradation-safety sophistication in various Li-ion chemistries, corresponding mitigation and prevention strategies are proposed to maximize cell lifetime and reliability. This thesis provides new insights into aging and safety diagnostics of cutting-edge Li-ion batteries, taking one step further in the online monitoring of battery state of health to develop adaptive battery management systems.</p>

The huge natural energy resources available in the world’s oceans are attracting increasing commercial and political interest. In order to evaluate the status and the degree of acceptability of future Ocean Energy (OE) schemes, it was considered important to develop an Integrated Assessment Methodology (IAM) for ascertaining the relative merits of the competing OE devices being proposed. Initial studies included the gathering of information on the present status of development of the ocean energy systems on wave, OTEC and tidal schemes with the challenges faced for their commercial application. In order to develop the IAM, studies were undertaken for the development and standardization of the assessment tools focussing on: • Life Cycle Assessment (LCA) on emission characteristics. • Energy Accounting (EA) studies. • Environmental Impact Assessment (EIA) over different environmental issues. • Resource captures aspects. • Defining economy evaluation indices. The IAM developed from such studies comprised of four interrelated well defined tasks and six assessment tools. The tasks included the identification of the modus operandi on data collection to be followed (from industry) for assessing respective OE devices, and also advancing relevant guidelines as to the safety standards to be followed, for their deployment at suitable sites. The IAM as developed and validated from case studies in ascertaining relative merits of competing OE devices included: suitable site selection aspects with scope for resource utilisation capability, safety factors for survivability, scope for addressing global warming & energy accounting, the environmental impact assessment both qualitatively and quantitatively on different environmental issues, and the economic benefits achievable. Some of the new ideas and concepts which were also discovered during the development of the IAM, and considered useful to both industry and researchers are given below: • Relative Product Cost (RPC) ratio concept- introduced in making an economic evaluation. This is considered helpful in sensitivity analysis and making design improvements (hybridising etc) for the cost reduction of OE devices. This index thus helps in making feasibility studies on R&D efforts, where the capital cost requirement data and life span of the device is not well defined in the primary stages of development. • Determination of the threshold limit value of the barrage constant - considered useful in determining the efficacy of the planning process. The concept ascertained the relative efficiency achieved for various barrage proposals globally. It could also be applied to suggest the revisions required for certain barrage proposals and also found useful in predicting the basin area of undefined barrage proposal for achieving economic viability. • Estimations made on the future possibility of revenue earnings from the by-products of various OTEC types, including the scope of chemical hubs from grazing type OTEC plants. • Determination of breakeven point- on cost versus life span of wave and OTEC devices studied, which is useful in designing optimum life of the concerned devices. The above stated multi-criterion assessment methodology, IAM, was extended leading to the development of a single criterion model for ascertaining sustainability percent achievable from an OE device and termed IAMs. The IAMs was developed identifying 7 Sustainability Development Indices (SDI) using some the tools of the IAM. A sustainability scale of 0-100 was also developed, attributing a Sustainability Development Load Score (SDLS) percentage distribution pattern over each SDIs, depending on their relative importance in achieving sustainability. The total sum of sustainability development (SD) gained from each SDI gave the IAMs (for the concerned device), indicating the total sustainable percentage achieved. The above IAMs developed, could be applied in ranking OE devices alongside the unsustainable coal power station. A mathematical model of estimating the IAMs was formulated, in order to ascertain the viability to the sustainable development of any energy device. The instruments of IAM and IAMs which have been developed would be helpful to the OE industry in ascertaining the degree of acceptability of their product. In addition it would also provide guidelines for their safe deployment by assessing the relative merits of competing devices. Furthermore, IAM and IAMs would be helpful to researchers undertaking feasibility studies on R&D efforts for material development research, ‘hybridization studies’ (as also new innovations), cost reduction, the performance improvement of respective devices, and any economic gains. With future advancements in OE systems and the availability of field data from large scale commercial applications, the specific values/data of the IAM & IAMs may be refined, but the logic of the models developed in this research would remain the same.

Thesis (MEng (Mechanical and Mechatronic Engineering))--Stellenbosch University, 2007. / ENGLISH: The design, construction and testing of a passive thermal system, a roof solar chimney, for a loft is considered. Unlike conventional solar chimneys the solar collector is constructed from corrugated iron roof sheets with the aim that it can be integrated into existing buildings at a lower cost or used in low cost housing developments. The main objective of the study was to determine the feasibility of such low-cost design to regulate thermal conditions in a loft, that is heating the loft during winter and enhancing natural ventilation during summer, by carrying out an experimental and analytical study. The results obtained from the experimental study showed that for winter the solar chimney, having a channel width, depth and length of 0.7 m, 0.1 m and 1.8 m respectively and with a peal solar radiation of 850 W/m², heated the room air 5°C higher than the ambient temperature during the hottest periods of the day, which is only marginally better than a loft with conventional roof insulation. At night, it was found that reverse airflow occurred through the chimney, cooling the loft down to ambient temperature, due to radiation heat loss from the roof collector to the night sky. For summer operation, the experimental data showed that the chimney was able to maintain the loft at ambient temperature and the analytical study found that the chimney was able to enhance natural ventilation effectively, reaching air exchange rate of 6.6 per hour for the 4.6 m³ volume space. It was also found that the chimney’s performance dropped rapidly and significantly during periods of low solar radiation and at night. A sensitivity analysis illustrated that for both summer and winter operation, the size, tilt angle and absorptivity of the roof collector greatly effected the efficiency and mass flow rates of the system, agreeing well with other literature. These results prove that this low cost solar chimney cooling design was feasible to enhance natural ventilation mainly during hot summer conditions with high solar radiation. Compared to a loft with only conventional roof insulation, the chimney did not perform effectively during the winter to heat the loft up, meaning that winter operation for this specific design is not feasible. Possible improvements to the design include using construction materials with higher thermal capacities to retain heat energy and ensure continued operation during periods of low solar radiation, as well as using selective absorber coatings on the collector surface. It is recommended that further work on the project include the integration of these improvements into the present design and to use the findings obtained from the sensitivity analysis to improve system efficiencies. CFD analysis of the test-rig will be insightful as an additional means to validate and compare with the analytical and experimental data obtained in this report. With the continuation of these studies, this low-cost solar chimney design can be optimised, validated on a commercial scale and built into existing and new housing developments. Incorporating such a passive thermal device will aid homeowners in air regulation and thermal comfort of their living space as well as saving on energy requirements. / Sponsored by the Centre for Renewable and Sustainable Energy Studies, Stellenbosch University

Thesis (PhD (Mechanical and Mechatronic Engineering))--Stellenbosch University, 2008. / ENGLISH ABSTRACT: The power conversion unit of a large solar chimney power plant converts the fluid power, first into mechanical power, and then into electrical power. In this dissertation a tool is developed to determine the layout and the number of turbines of the solar chimney power conversion unit providing the lowest cost of electricity. First, the history of the solar chimney concept and the related fields of research are presented. Potential features and configurations of the power conversion unit are introduced, and it is shown how the solar chimney power conversion unit compares to those of other applications. An outline of the dissertation is given, and its potential impact is discussed. An analytical turbine model is developed. Several modelling approaches and the performance of single rotor and counter rotating turbine layouts are compared. Preliminary turbine designs are investigated, experimentally and numerically. The main aim of the experimental investigation is to verify the applicability of the loss model used in the analytical turbine model. The aim of the numerical investigation is to evaluate a commercial software package as a tool in context with solar chimney turbines. For each component of the power conversion unit an analytical performance model is introduced. Using these models, the single vertical axis, multiple vertical axis and multiple horizontal axis turbine configurations are compared from an efficiency and energy yield point of view, and the impact of the various losses on the overall performance is highlighted. A detailed cost model for the power conversion unit is also presented. To optimize for cost of electricity this cost model is then linked to the performance models, and the resulting optimization scheme is applied to several plant configurations. It is shown that for a large solar chimney power plant the power conversion unit providing minimal cost of electricity consists of multiple horizontal axis turbines using a single rotor layout including inlet guide vanes. / AFRIKAANSE OPSOMMING: Die drywingsomsettingseenheid van ’n groot sonskoorsteenaanleg sit die vloeidrywing om, eers in meganiese drywing en dan in elektriese drywing. In hierdie proefskrif word ’n gereedskapstuk ontwikkel om die uitleg en aantal turbines van die sonskoorsteen-drywingsomsettingseenheid te bepaal wat die laagste koste van elektrisiteit lewer. Eerstens word die geskiedenis van die sonskoorsteen en verwante navorsingsvelde behandel. Moontlike eienskappe en konfigurasies vir die drywingsomsettingseenheid word voorgestel, en daar word aangetoon hoe die sonskoorsteendrywingsomsettings- eenheid vergelyk met ander toepassings. ’n Raamwerk van die proefskrif word gegee, en die potensiële trefkrag daarvan word bespreek. ’n Analitiese turbine-model word ontwikkel. Verskeie nabootsingsbenaderings en die vertoning van ’n enkelrotor en teenroterende turbine-uitlegte word vergelyk. Voorlopige turbine-ontwerpe word ondersoek, eksperimenteel en numeries. Die hoofdoel van die eksperimentele ondersoek is om die toepaslikheid van die verliesmodel in die analitiese turbine-model te bevestig. Die doel van die numeriese ondersoek is om kommersiële sagteware op te weeg as ’n gereedskapstuk in die konteks van sonskoorsteenturbines. Vir elke onderdeel van die drywingsomsettingseenheid word ’n analitiese model voorgestel. Met gebruik van hierdie modelle word die enkele vertikale-as, die veelvoudige vertikale-as an die veelvoudige horisontale-as turbinekonfigurasies vergelyk vanuit ’n benuttingsgraad- en energie-opbrengsoogpunt,en die uitwerking van die verskillende verliese op die algehele gedrag word uitgewys. ’n Kostemodel in besonderhede word vir die drywingsomsettingseenheid aangebied. Om vir die koste van elektrisiteit te optimeer word hierdie kostemodel dan gekoppel aan die vertoningsmodelle, en die gevolglike optimeringskema word toegepas op verskeie aanlegkonfigurasies. Daar word aangetoon dat vir ’n groot sonskoorsteenaanleg die drywingsomsettingseenheid wat die minimumkoste van elektrisiteit gee, bestaan uit veelvoudige horisontale-as turbines met enkelrotoruitleg en inlaatleilemme. / Centre for Renewable and Sustainable Energy Studies

Thesis (PhD)--Stellenbosch University, 2013. / ENGLISH ABSTRACT: The design, development and evaluation of a novel wave energy converter (WEC) device, called the ShoreSWEC, in a South African port development is presented. Based on the device requirements, site selection criteria were specified and applied to identify a suitable deployment location. A wave modeling procedure was developed to determine the operational wave conditions and available wave power resource at the selected location. The site was found to have a low mean annual average resource of approximately 2.3 kilowatt per meter wave crest (kW/m) due to its relatively sheltered location. The wave model was further used to determine design storm conditions and a structural stability analysis of the device was conducted. Experimental tests were performed to evaluate the hydrodynamic conversion efficiency of a single chamber of the device at its most conservative orientation, under a variety of wave energy conditions. The effect of a floor incline and an additional chamber on the performance of the system was investigated. The incline improved efficiency for low wave heights, making it ideal for the low wave power resource conditions of the site, whilst the multi-chamber system experienced increased performance at high wave periods. A comparison between the ShoreSWEC and a conventional oscillating water column (OWC) WEC showed that the OWC extracted 72% more energy, highlighting the sensitivity of performance on device orientation. A three-dimensional (3D) numerical model of the experimental setup was developed. The numerical model provided comparable water surface elevations inside the flume and chamber, yet predicted significantly higher internal chamber pressures and overall efficiency. The electricity generation potential of a 10 chamber ShoreSWEC at the specified location, approximated from the experimental results and 11 years of hindcast wave data, was found to be 6 kW on average for a 15 kW capacity system. Results of this study highlighted the need for greater understanding of the hydrodynamic characteristics of a full length device. Experimental tests in a 3D wave basin on a scaled full length ShoreSWEC model are therefore recommended. Once conducted, South Africa will be one step closer to the deployment of the full scale SWEC device. / AFRIKAANSE OPSOMMING: Die ontwerp, ontwikkeling en evaluasie van ‘n unieke golfenergieomsetter (GEO), genaamd die ShoreSWEC, in ‘n Suid-Afrikaanse haweontwikkeling word aangebied. Terrein evaluasie kriteria, gebaseer op die omsettervereistes, is ontwikkel en toegepas om die mees belowende terrein te identifiseer. ‘n Golfmodeleringsprosedure is ontwikkel om die operasionele golfkondisies en beskikbare golfdrywinghulpbron te bepaal. Daar is gevind dat die terrein ‘n lae gemiddelde golfdrywing van bykans 2.3 kilowat per meter golfkruin het as gevolg van die beskutte ligging. Die golfmodel is verder gebruik om ontwerpstormkondisies te bepaal en ‘n stabiliteitsanalise was op die toestel struktuur uitgevoer. Eksperimentele toetse van verskeie golfenergie kondisies is gedoen om die hidrodinamiese omsettingseffektiwiteit van ‘n enkel kamer van die toestel te bepaal teen sy konserwatiefste orientasie. Die effek van ‘n vloerhelling en ‘n addisionele kamer op die uitsette van die sisteem is ondersoek. Die helling het effektiwiteit verbeter vir lae golfhoogtes wat dit ideaal maak vir die lae hulpbron by die terrein, terwyl die veelvoudige-kamer-sisteem beter gevaar het by hoë golfperiodes. ‘n Vergelyking tussen die ShoreSWEC en ‘n konvensionele ossilerende waterkolom (OWK) GEO het gewys dat die OWK 72% meer energie onttrek. Dit beklemtoon die sisteem se sensitiwiteit vir die inkomende golfrigting. ‘n Drie-dimensionele (3D) numeriese model van die eksperimentele opstelling is ontwikkel. Die numeriese model het aansienlik hoër drukke binne die kamer, en gevolglik algehele effektiwiteit, voorspel as die eksperimentele toetse. Die elektriese opwekkingskapasiteit van ‘n 10 kamer ShoreSWEC by die terrein, gebaseer op die eksperimentele resultate en 11 jaar se golfdata, is bereken as 6 kW gemiddeld vir ‘n 15 kW kapasiteit stelsel. Die bevindinge van hierdie studie het die behoefte aan ‘n beter begrip van die hidrodinamiese eienskappe van ‘n vollengte sisteem beklemtoon. Eksperimentele toetse in ‘n 3D golfbak op ‘n geskaleerde vollengte ShoreSWEC model word dus aanbeveel. Sodra dit voltooi is, sal Suid-Afrika een stap nader wees aan die ontplooiing van ‘n volskaalse SWEC toestel.