Synthesis of satellite (MODIS), aircraft (ICARTT), and surface (IMPROVE, EPA-AQS, AERONET) aerosol observations over eastern North America to improve MODIS aerosol retrievals and constrain surface aerosol concentrations and sources

We use an ensemble of satellite (MODIS), aircraft, and ground-based aerosol observations during the ICARTT field campaign over eastern North America in summer 2004 to (1) examine the consistency between different aerosol measurements, (2) evaluate a new retrieval of aerosol optical depths (AODs) and inferred surface aerosol concentrations (PM2.5) from the MODIS satellite instrument, and (3) apply this collective information to improve our understanding of aerosol sources. The GEOS-Chem global chemical transport model (CTM) provides a transfer platform between the different data sets, allowing us to evaluate the consistency between different aerosol parameters observed at different times and locations. We use an improved MODIS AOD retrieval based on locally derived visible surface reflectances and aerosol properties calculated from GEOS-Chem. Use of GEOS-Chem aerosol optical properties in the MODIS retrieval not only results in an improved AOD product but also allows quantitative evaluation of model aerosol mass from the comparison of simulated and observed AODs. The aircraft measurements show narrower aerosol size distributions than those usually assumed in models, and this has important implications for AOD retrievals. Our MODIS AOD retrieval compares well to the ground-based AERONET data (R = 0.84, slope = 1.02), significantly improving on the MODIS c005 operational product. Inference of surface PM2.5 from our MODIS AOD retrieval shows good correlation to the EPA-AQS data (R = 0.78) but a high regression slope (slope = 1.48). The high slope is seen in all AOD-inferred PM2.5 concentrations (AERONET: slope = 2.04; MODIS c005: slope = 1.51) and could reflect a clear-sky bias in the AOD observations. The ensemble of MODIS, aircraft, and surface data are consistent in pointing to a model overestimate of sulfate in the mid-Atlantic and an underestimate of organic and dust aerosol in the southeastern United States. The sulfate overestimate could reflect an excessive contribution from aqueous-phase production in clouds, while the organic carbon underestimate could possibly be resolved by a new secondary pathway involving dicarbonyls

Aquaculture systems modeling: an introduction with emphasis on warmwater aquaculture

An introduction to modeling is presented. The basic concepts of systems and models and various types of models and their use in research and in management are described. Guidelines for modeling aquaculture systems are presented: empirical models for the analysis of multivariate datasets and theoretical models based on knowledge of the various processes underlying a system. Examples of two modeling approaches to the production of Nile tilapia (Oreochromis niloticus) in ricefields are given in an appendix.Aquaculture systems, Warm-water aquaculture, Modelling

CO2 Utilization via Integration of an Industrial Post-Combustion Capture Process with a Urea Plant: Process Modelling and Sensitivity Analysis

Carbon capture and utilization (CCU) may offer a response to climate change mitigation from major industrial emitters. CCU can turn waste CO(2)emissions into valuable products such as chemicals and fuels. Consequently, attention has been paid to petrochemical industries as one of the best options for CCU. The largest industrial CO(2)removal monoethanol amine-based plant in Iran has been simulated with the aid of a chemical process simulator, i.e., Aspen HYSYS(R)v.10. The thermodynamic properties are calculated with the acid gas property package models, which are available in Aspen HYSYS(R). The results of simulation are validated by the actual data provided by Kermanshah Petrochemical Industries Co. Results show that there is a good agreement between simulated results and real performance of the plant under different operational conditions. The main parameters such as capture efficiency in percent, the heat consumption in MJ/kg CO2 removed, and the working capacity of the plant are calculated as a function of inlet pressure and temperature of absorber column. The best case occurred at the approximate temperature of 40 to 42 degrees C and atmospheric pressure with CO2 removal of 80.8 to 81.2%; working capacity of 0.232 to 0.233; and heat consumption of 4.78 MJ/kg CO2

National Aeronautics and Space Administration (NASA)/American Society for Engineering Education (ASEE) Summer Faculty Fellowship Program, 1992, volume 1

The 1992 Johnson Space Center (JSC) National Aeronautics and Space Administration (NASA)/American Society for Engineering Education (ASEE) Summer Faculty Fellowship Program was conducted by the University of Houston and JSC. The program at JSC, as well as the programs at other NASA Centers, was funded by the Office of University Affairs, Washington, DC. The objectives of the program, which began nationally in 1964 and at JSC in 1965, are (1) to further the professional knowledge of qualified engineering and science faculty members; (2) to stimulate an exchange of ideas between participants and NASA; (3) to enrich and refresh the research and teaching activities of participants' institutions; and (4) to contribute to the research objective of the NASA Centers. This document is a compilation of the final reports 1 through 12

Process regime classification and modelling of a sequencing batch reactor for producing polyhydroxybutyrate with mixed culture using neural networks

PhD ThesisIn recent years, there has been a growing incentive towards production and application of environmentally benign materials with properties similar to those obtained from irreplaceable resources or exhibiting harmful effects on the environment. In this respect, bioplastics have gained attention in quest of materials that can be used in place of conventional petro-chemical plastics. Biocompatibility, biodegradability and compostability of bioplastics are among the most favourable characteristics of the materials mostly derived from biological systems. Polyhydroxybutyrate (PHB) is a fully biodegradable bioplastic with similar physical properties to polyethylene and promising applications in various commercial fields including automation, aviation, medication, nutrition, fuel, packaging and many more. PHB production with Mixed Microbial Cultures (MMC) has recently gained attention as a cost effective production strategy by using bacteria that adapt with complex substrates presented in inexpensive waste materials. The initial research motivation was to enhance PHB production operation by means of the solutions obtained from sophisticated mathematical algorithms used for process optimisation. For this aim, a computer-based program simulating PHB batch process with MMC which was successfully validated with experimental data was available. Since mechanistic models of the simulation program could not be applied in optimisation algorithms, accurate empirical models were required. In the quest for reliable and accurate empirical models that can predict product concentration at the final stage of a batch operation, a methodology was developed in this study for classification of the batch operational regions based on the PHB critical process attributes. In the core of this research work, an innovative systematic methodology improves process understanding towards advanced process monitoring and control. This method enables operational scrutiny for generation of process knowledge regarding PHB process using MMC. The qualitative info-illustrations produced in the course of the classification method provide a sound platform for generation of considerably more accurate (quantitative) empirical models. These empirical models will be used in process optimisation studies. Abstract III In this research, PHB production occurs in a process type known as “feast and famine” or as “aerobic dynamic feeding” which is a well-known strategy applied for bacterial production with MMC. The “feast and famine” operations take place in Sequential Batch Reactors (SBR) in order to assure occurrence of the “feast” and the “famine” phases intermittently in each operational cycle. While PHB formation occurs during the “feast” phase, a “famine” phase should be followed to cause a cell physiological adaptation to maintain PHB production capability of bacteria. Establishment of the analytical methodology developed in direction of process empirical modelling realisation enables prediction of “feast” and “famine” phase occurrences based on the batch initial state documented for the first time in this work. This mathematical equation (“Phase Differentiating Equation”) plays a significant role in development of a novel SBR recipe for production of PHB with MMC. Execution of the recipe by the PHB process simulation program demonstrates high reliability of the proposed recipe. Application of the “Phase Differentiating Equation” in the SBR recipe assures favourable occurrence of the “feast” and “famine” phases in the majority of operational cycles. Reduction of operational failure rate reduces PHB production cost to improve its market position. The SBR recipe structure consists of six-stage cycles including (1) “feast” phase preparation stage, (2) “feast” phase operation, (3) operational quiescence, (4) product exploitation, (5) “famine” phase preparation stage and (6) “famine” phase operation. Operational reliability is investigated along with load disturbance rejection embedded in the SBR recipe. At the end, Sequential Quadratic Programming (SQP) is applied successfully as an optimisation algorithm to maximise PHB production under operational constrains

Modeling and optimization of extracellular polysaccharides production by Enterobacter A47

Polysaccharides are gaining increasing attention as potential environmental friendly and sustainable building blocks in many fields of the (bio)chemical industry. The microbial production of polysaccharides is envisioned as a promising path, since higher biomass growth rates are possible and therefore higher productivities may be achieved compared to vegetable or animal polysaccharides sources. This Ph.D. thesis focuses on the modeling and optimization of a particular microbial polysaccharide, namely the production of extracellular polysaccharides (EPS) by the bacterial strain Enterobacter A47. Enterobacter A47 was found to be a metabolically versatile organism in terms of its adaptability to complex media, notably capable of achieving high growth rates in media containing glycerol byproduct from the biodiesel industry. However, the industrial implementation of this production process is still hampered due to a largely unoptimized process. Kinetic rates from the bioreactor operation are heavily dependent on operational parameters such as temperature, pH, stirring and aeration rate. The increase of culture broth viscosity is a common feature of this culture and has a major impact on the overall performance. This fact complicates the mathematical modeling of the process, limiting the possibility to understand, control and optimize productivity. In order to tackle this difficulty, data-driven mathematical methodologies such as Artificial Neural Networks can be employed to incorporate additional process data to complement the known mathematical description of the fermentation kinetics. In this Ph.D. thesis, we have adopted such an hybrid modeling framework that enabled the incorporation of temperature, pH and viscosity effects on the fermentation kinetics in order to improve the dynamical modeling and optimization of the process. A model-based optimization method was implemented that enabled to design bioreactor optimal control strategies in the sense of EPS productivity maximization. It is also critical to understand EPS synthesis at the level of the bacterial metabolism, since the production of EPS is a tightly regulated process. Methods of pathway analysis provide a means to unravel the fundamental pathways and their controls in bioprocesses. In the present Ph.D. thesis, a novel methodology called Principal Elementary Mode Analysis (PEMA) was developed and implemented that enabled to identify which cellular fluxes are activated under different conditions of temperature and pH. It is shown that differences in these two parameters affect the chemical composition of EPS, hence they are critical for the regulation of the product synthesis. In future studies, the knowledge provided by PEMA could foster the development of metabolically meaningful control strategies that target the EPS sugar content and oder product quality parameters

Sustainable production of hydrogen, pyridine and biodiesel from waste-to-chemicals valorization plant: Energy, exergy and CO2-cycle analysis

This study deals with the simulation of waste-to-chemicals plant for the conversion of municipal solid waste to hydrogen, biodiesel and pyridine. The study analyses a Waste to Chemical plant, in order to evaluate the future scenarios of the integrated management of municipal waste from a technical and economic point of view and compare them, both in terms of material flows and related costs. In a first phase, the characteristics of the simulation model created with the help of the Aspen Plus software are analysed. Subsequently, with the help of a calculation model, the operating costs, emissions and energy and exergy efficiency are evaluated for the two identified scenarios. Starting from about 3000 t/h of waste, as a main result, about 8.4 t/h of pyridine and 300 t/h of biodiesel are produced and about 7.94 t/h of H2 as a by-product. The main purpose of the design cycle is to reduce the amount of waste to landfill, valorising it and limiting CO2 emitted in the atmosphere at the same time. Two system configurations are considered to maximize the reuse of all waste streams. In particular, the comparison was made between two scenarios: in the first the stream separated by extraction is considered a waste for the plant, while in the second scenario, this stream is sent to a fermentation section to obtain an excess bioethanol stream, which represents another product with high added value. The treatment of the stream separated from the extraction in the second scenario allows to obtain an additional stream of bioethanol in addition to the target products. A complete energy, exergy, environmental and economic analysis of the simulated plant have been carried out. The work shown that in the second case the waste exergy is dramatically reduced, leading to a raise of exergy efficiency from 30.2% up to 84.9%. While, from the environmental point of view both scenarios have low CO2 emissions, 0.52 kgCO2/kg products and 0.87 kgCO2/kg products respectively

Modeling and Simulation of Ethylene Oxidation in a Catalytic Fixed Bed Reactor Using COMSOL Multiphysics -Ann Method

The purpose of this report is to discuss the research done and basic understanding of the topic Modeling and Simulation of Ethylene Oxidation in a Catalytic Fixed Bed Reactor Using COMSOL Multiphysics -Ann Method. The objective of this project is to develop a neural network system for ethylene oxidation in a catalytic fixed bed reactor. The COMSOL and MATLAB are the software used for this simulation. The scope of study for this project is to model the catalytic fixed bed reactor using COMSOL and train the neural network by using MATLAB software. The network will be trained using data obtained from COMSOL which has been verified by experimental data so that it can predict as close as possible to the actual behavior of the reactor. Finally, the output of the trained neural network will be represented in Graphical User Interface (GUI

Exploiting the potential of chemical looping processes for industrial decarbonization and waste to energy conversion. Process design and experimental evaluations

The impact of anthropogenic activities on the environment is leading to climate changes and exceptional meteorological phenomena all over the world. To address this negative trend, the scientific community agrees that the environmental impact from fossil fuels-based power production must be mitigated by the integration with alternative and sustainable technologies, such as renewable energy. However, the time required for the complete development and diffusion of such technology poses the urgency of finding a midterm solution to significantly reduce CO2 emissions. Carbon capture, utilization, and storage (CCUS) technologies represent an interesting option to mitigate CO2 emissions. CCUS involves (among other possible applications) the separation of the CO2 content from industrial off-gases, its transport and storage or its reconversion to a chemical/fuel. Chemical looping can be considered as an oxyfuel combustion where the oxygen supply comes from the lattice oxygen atoms of a solid. It is based on gas-solid reactions where a solid also known as oxygen carrier, generally a metal oxide, undergoes successive reduction and oxidation steps. In the reduction step, normally occurring at high temperatures (700-1000 °C), the oxygen carrier interacts with a reducing agent, such as coal, natural gas, syngas etc. and loses part of its oxygen atoms. By controlling the degree of reduction of the oxygen carrier is thus possible to achieve a complete oxidation of the reducing agent (the fuel) to CO2 and H2O (chemical looping combustion) or a partial oxidation to a syngas (chemical looping reforming and gasification). In these latter case, the introduction of external CO2 and H2O can be of help to support the reforming or gasification processes. The oxygen carrier in the reduced phase is then sent to an air reactor, where it reacquires the oxygen atoms by an exothermic reaction with air. This process presents several advantages according to the specific application. In chemical looping combustion, intrinsic separation of N2 and CO2 is achieved, because the two streams are involved in two different reaction steps. This largely simplifies the CO2 separation effort for storage or utilization purposes. On the other hand, in chemical looping reforming it is possible to achieve autothermal operation thanks to the exothermicity of the oxidation step in the air reactor, as well as high reforming efficiencies. Similarly, in chemical looping gasification the resulting syngas is characterized by no N2 dilution, lower tar release and possibility of autothermal operation. These benefits enhance the energy efficiency of the process, leading to a better energy utilisation. In this work, strategies for the decarbonisation and circularity of the industrial and power sector are proposed based on the synthesis of hydrogen and hydrogen-derived fuels. In particular, the potential of chemical looping technology is deeply studied aiming at exploiting its ability to reconvert or valorise CO2 or waste streams to a syngas and then to a liquid fuel/chemical, such as methanol or ammonia. This task is carried out through modelling and experimental evaluations. The modelling activities mainly concern design of process schemes involving the chemical looping section for waste or CO2 reconversion and the liquid fuel synthesis section. The experimental evaluations are focused on two crucial that have been limitedly discussed in the literature: the thermochemical syngas production step by oxidation with CO2 and H2O streams, the effect of high-pressure operation on the redox abilities of a typical iron and nickel-based oxygen carrier. In Chapter 1, a general overview on the main research developments on chemical looping technology is provided. A section is reserved for each chemical looping variant, i.e. combustion, reforming and gasification, and a general description of each process is provided along with the summary of the main research achievements. Subsequently, the technology is divided by application in power production and chemicals production. Main findings from techno-economic assessment and process designs are discussed in comparison with benchmark technologies and other clean pathways. In Chapter 2 steel mills are taken as an example of the hard-to-abate industry. A H2-based decarbonization strategy is proposed and assessed by Aspen Plus simulation. The strategy starts from an initial configuration that is characterized by a typical blast furnace-basic oxygen furnace steel mill and consider the introduction of direct reduction – electric arc furnace lines, that are more efficient and involve natural gas as reducing agent rather than coke. Sensitivity analyses are carried out to assess the effect of the introduction of H2/CH4 blendings in the direct reduction plant and of the utilization of scrap material in the electric arc furnace. The impact of each configuration on the CO2 emissions and the energy flows of the plant is assessed by mass and energy balances. The results indicate a promising decarbonization potential of the introduced technologies but require large investments to increase the renewable sources penetration in the energy mix and large availability of H2. Therefore, alternative pathways for an earlier decarbonization of hard-to-abate industries and for large scale syngas/H2 production need to be considered. In Chapter 3, a novel process scheme is proposed involving chemical looping for syngas production. The CO2 content in blast furnace gases is separated with a calcium looping cycle and subsequently injected with H2O into the oxidation reactor of a chemical looping cycle. Assuming an inlet stream of pure CO2, mass balances on the chemical looping plant are carried out to compare the performance of nickel ferrites and iron oxides in terms of required oxygen carrier flow rate to process 1 t/h of CO2. Computational fluid dynamics simulations with integrated reaction kinetics are then carried out to validate the assumptions on the oxygen carrier conversion and syngas compositions. In Chapter 4 and 5, experimental evaluations are carried out on two crucial aspects for the successful operation of a chemical looping plant aiming at syngas production. In Chapter 4, the syngas productivity by CO2 and H2O splitting over a Fe bed is investigated. This is a very important step, and the effect of various parameters was considered. Firstly, the CO2 splitting is analysed for different temperatures with an inlet flow rate of 1 NL/min to ensure a substantial dissociation of the CO2. Subsequently, combined streams of CO2 and H2O are evolved in the reactor. The effect of the total flow rate, reactants molar ratio and bed height is investigated and from the results, the optimal syngas composition is identified. SEM and XRD are used to assess the morphological evolution and the phase changes of the material during the test. On the contrary, in Chapter 5 the effect of high-pressure operation on the redox abilities of two NiFe aluminates is assessed. The aluminates present similar Fe loadings, but different Ni loadings. High pressure operation is crucial for the development of this technology because it facilitates downstream processing of the syngas to liquid fuels. For a comparative analysis, preliminary tests at low pressure are carried out at three temperatures. Subsequently, the effect of reactants flow rate, temperature, total pressure, gas composition is analysed at high pressure conditions. Finally, long term tests are performed both at ambient and high-pressure conditions. Material characterization by SEM, XRD and H2-TPR is used to support the comparative analysis. In Chapter 6, a techno-economic analysis on a process scheme encompassing methanol and ammonia production from chemical looping gases is carried out. Chemical looping hydrogen production is a very versatile technology and allows for the combined production of power and H2 or syngas. With proper calibration of the flow rates, a stream of high purity N2 can also be obtained at the air reactor outlet and used for ammonia synthesis. Back up with an alkaline electrolyser is considered for the supply of the required amount of hydrogen. Sensitivity analyses are carried out on the chemical looping plant to evaluate the effect of fuel flow rate, steam flow rate, and oxygen carrier inlet temperature to the fuel reactor. Subsequently, a techno-economic analysis is carried out evaluating several parameters among which: the specific CO2 emissions, the energy intensity, and the levelized cost of methanol and ammonia. Finally, a comparison with benchmark technologies and other clean alternatives is presented. In this way, the benefits as well as the drawbacks of chemical looping in terms of environmental and economic parameters are assessed and the missing elements to reach industrial competitivity are clarified