Recent Advances in Detailed Chemical Kinetic Models for Large Hydrocarbon and Biodiesel Transportation Fuels

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ISBN 13 :
Total Pages : 6 pages
Book Rating : 4.:/5 (727 download)

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Book Synopsis Recent Advances in Detailed Chemical Kinetic Models for Large Hydrocarbon and Biodiesel Transportation Fuels by :

Download or read book Recent Advances in Detailed Chemical Kinetic Models for Large Hydrocarbon and Biodiesel Transportation Fuels written by and published by . This book was released on 2009 with total page 6 pages. Available in PDF, EPUB and Kindle. Book excerpt: N-Hexadecane and 2,2,4,4,6,8,8-heptamethylnonane represent the primary reference fuels for diesel that are used to determine cetane number, a measure of the ignition property of diesel fuel. With the development of chemical kinetics models for these two primary reference fuels for diesel, a new capability is now available to model diesel fuel ignition. Also, we have developed chemical kinetic models for a whole series of large n-alkanes and a large iso-alkane to represent these chemical classes in fuel surrogates for conventional and future fuels. Methyl decanoate and methyl stearate are large methyl esters that are closely related to biodiesel fuels, and kinetic models for these molecules have also been developed. These chemical kinetic models are used to predict the effect of the fuel molecule size and structure on ignition characteristics under conditions found in internal combustion engines.

Progress in Chemical Kinetic Modeling for Surrogate Fuels

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ISBN 13 :
Total Pages : 9 pages
Book Rating : 4.:/5 (727 download)

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Book Synopsis Progress in Chemical Kinetic Modeling for Surrogate Fuels by :

Download or read book Progress in Chemical Kinetic Modeling for Surrogate Fuels written by and published by . This book was released on 2008 with total page 9 pages. Available in PDF, EPUB and Kindle. Book excerpt: Gasoline, diesel, and other alternative transportation fuels contain hundreds to thousands of compounds. It is currently not possible to represent all these compounds in detailed chemical kinetic models. Instead, these fuels are represented by surrogate fuel models which contain a limited number of representative compounds. We have been extending the list of compounds for detailed chemical models that are available for use in fuel surrogate models. Detailed models for components with larger and more complicated fuel molecular structures are now available. These advancements are allowing a more accurate representation of practical and alternative fuels. We have developed detailed chemical kinetic models for fuels with higher molecular weight fuel molecules such as n-hexadecane (C16). Also, we can consider more complicated fuel molecular structures like cyclic alkanes and aromatics that are found in practical fuels. For alternative fuels, the capability to model large biodiesel fuels that have ester structures is becoming available. These newly addressed cyclic and ester structures in fuels profoundly affect the reaction rate of the fuel predicted by the model. Finally, these surrogate fuel models contain large numbers of species and reactions and must be reduced for use in multi-dimensional models for spark-ignition, HCCI and diesel engines.

Chemical Kinetic Modeling of Advanced Transportation Fuels

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ISBN 13 :
Total Pages : 12 pages
Book Rating : 4.:/5 (727 download)

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Book Synopsis Chemical Kinetic Modeling of Advanced Transportation Fuels by :

Download or read book Chemical Kinetic Modeling of Advanced Transportation Fuels written by and published by . This book was released on 2009 with total page 12 pages. Available in PDF, EPUB and Kindle. Book excerpt: Development of detailed chemical kinetic models for advanced petroleum-based and nonpetroleum based fuels is a difficult challenge because of the hundreds to thousands of different components in these fuels and because some of these fuels contain components that have not been considered in the past. It is important to develop detailed chemical kinetic models for these fuels since the models can be put into engine simulation codes used for optimizing engine design for maximum efficiency and minimal pollutant emissions. For example, these chemistry-enabled engine codes can be used to optimize combustion chamber shape and fuel injection timing. They also allow insight into how the composition of advanced petroleum-based and non-petroleum based fuels affect engine performance characteristics. Additionally, chemical kinetic models can be used separately to interpret important in-cylinder experimental data and gain insight into advanced engine combustion processes such as HCCI and lean burn engines. The objectives are: (1) Develop detailed chemical kinetic reaction models for components of advanced petroleum-based and non-petroleum based fuels. These fuels models include components from vegetable-oil-derived biodiesel, oil-sand derived fuel, alcohol fuels and other advanced bio-based and alternative fuels. (2) Develop detailed chemical kinetic reaction models for mixtures of non-petroleum and petroleum-based components to represent real fuels and lead to efficient reduced combustion models needed for engine modeling codes. (3) Characterize the role of fuel composition on efficiency and pollutant emissions from practical automotive engines.

Detailed Chemical Kinetic Models for Large N-alkanes and Iso-alkanes Found in Conventional and F-T Diesel Fuels

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ISBN 13 :
Total Pages : 3 pages
Book Rating : 4.:/5 (727 download)

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Book Synopsis Detailed Chemical Kinetic Models for Large N-alkanes and Iso-alkanes Found in Conventional and F-T Diesel Fuels by :

Download or read book Detailed Chemical Kinetic Models for Large N-alkanes and Iso-alkanes Found in Conventional and F-T Diesel Fuels written by and published by . This book was released on 2008 with total page 3 pages. Available in PDF, EPUB and Kindle. Book excerpt: Detailed chemical kinetic models are needed to simulate the combustion of current and future transportation fuels. These models should represent the various chemical classes in these fuels. Conventional diesel fuels are composed of n-alkanes, iso-alkanes, cycloalkanes and aromatics (Farrell et al. 2007). For future fuels, there is a renewed interest in Fischer-Tropsch (F-T) processes which can be used to synthesize diesel and other transportation fuels from biomass, coal and natural gas. F-T diesel fuels are expected to be similar to F-T jet fuels which are commonly comprised of iso-alkanes with some n-alkanes (Smith and Bruno, 2008). Thus, n-alkanes and iso-alkanes are common chemical classes in these conventional and future fuels. This paper reports on the development of chemical kinetic models of large n-alkanes and iso-alkanes to represent these chemical classes in conventional and future fuels. Two large iso-alkanes are 2,2,4,4,6,8,8-heptamethylnonane, which is a primary reference fuel for diesel, and isooctane, a primary reference fuel for gasoline. Other iso-alkanes are branched alkanes with a single methyl side chain, typical of most F-T fuels. The chemical kinetic models are then used to predict the effect of these fuel components on ignition characteristics under conditions found in internal combustion engines.

Development of Detailed Kinetic Models for Fischer-Tropsch Fuels

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ISBN 13 :
Total Pages : 4 pages
Book Rating : 4.:/5 (727 download)

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Book Synopsis Development of Detailed Kinetic Models for Fischer-Tropsch Fuels by :

Download or read book Development of Detailed Kinetic Models for Fischer-Tropsch Fuels written by and published by . This book was released on 2008 with total page 4 pages. Available in PDF, EPUB and Kindle. Book excerpt: Fischer-Tropsch (FT) fuels can be synthesized from a syngas stream generated by the gasification of biomass. As such they have the potential to be a renewable hydrocarbon fuel with many desirable properties. However, both the chemical and physical properties are somewhat different from the petroleum-based hydrocarbons that they might replace, and it is important to account for such differences when considering using them as replacements for conventional fuels in devices such as diesel engines and gas turbines. FT fuels generally contain iso-alkanes with one or two substituted methyl groups to meet the pour-point specifications. Although models have been developed for smaller branched alkanes such as isooctane, additional efforts are required to properly capture the kinetics of the larger branched alkanes. Recently, Westbrook et al. developed a chemical kinetic model that can be used to represent the entire series of n-alkanes from C1 to C16 (Figure 1). In the current work, the model is extended to treat 2,2,4,4,6,8,8-heptamethylnonane (HMN), a large iso-alkane. The same reaction rate rules used in the iso-octane mechanism were incorporated in the HMN mechanism. Both high and low temperature chemistry was included so that the chemical kinetic model would be applicable to advanced internal combustion engines using low temperature combustion strategies. The chemical kinetic model consists of 1114 species and 4468 reactions. Concurrently with this effort, work is underway to improve the details of specific reaction classes in the mechanism, guided by high-level electronic structure calculations. Attention is focused upon development of accurate rate rules for abstraction of the tertiary hydrogens present in branched alkanes and properly accounting for the pressure dependence of the?-scission, isomerization, and R + O2 reactions.

Cleaner Combustion

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Publisher : Springer Science & Business Media
ISBN 13 : 1447153073
Total Pages : 657 pages
Book Rating : 4.4/5 (471 download)

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Book Synopsis Cleaner Combustion by : Frédérique Battin-Leclerc

Download or read book Cleaner Combustion written by Frédérique Battin-Leclerc and published by Springer Science & Business Media. This book was released on 2013-09-06 with total page 657 pages. Available in PDF, EPUB and Kindle. Book excerpt: This overview compiles the on-going research in Europe to enlarge and deepen the understanding of the reaction mechanisms and pathways associated with the combustion of an increased range of fuels. Focus is given to the formation of a large number of hazardous minor pollutants and the inability of current combustion models to predict the formation of minor products such as alkenes, dienes, aromatics, aldehydes and soot nano-particles which have a deleterious impact on both the environment and on human health. Cleaner Combustion describes, at a fundamental level, the reactive chemistry of minor pollutants within extensively validated detailed mechanisms for traditional fuels, but also innovative surrogates, describing the complex chemistry of new environmentally important bio-fuels. Divided into five sections, a broad yet detailed coverage of related research is provided. Beginning with the development of detailed kinetic mechanisms, chapters go on to explore techniques to obtain reliable experimental data, soot and polycyclic aromatic hydrocarbons, mechanism reduction and uncertainty analysis, and elementary reactions. This comprehensive coverage of current research provides a solid foundation for researchers, managers, policy makers and industry operators working in or developing this innovative and globally relevant field.

Predictive Chemical Kinetics

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ISBN 13 :
Total Pages : 218 pages
Book Rating : 4.:/5 (86 download)

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Book Synopsis Predictive Chemical Kinetics by : Joshua William Allen

Download or read book Predictive Chemical Kinetics written by Joshua William Allen and published by . This book was released on 2013 with total page 218 pages. Available in PDF, EPUB and Kindle. Book excerpt: The use of petroleum-based fuels for transportation accounted for more than 25% of the total energy consumed in 2012, both in the United States and throughout the world. The finite nature of world oil reserves and the effects of burning petroleum-based fuels on the world's climate have motivated efforts to develop alternative, renewable fuels. A major category of alternative fuels is biofuels, which potentially include a wide variety of hydrocarbons, alcohols, aldehydes, ketones, ethers, esters, etc. To select the best species for use as fuel, we need to know if it burns cleanly, controllably, and efficiently. This is especially important when considering novel engine technologies, which are often very sensitive to fuel chemistry. The large number of candidate fuels and the high expense of experimental engine tests motivates the use of predictive theoretical methods to help quickly identify the most promising candidates. This thesis presents several contributions in the areas of predictive chemical kinetics and automatic mechanism generation, particularly in the area of reaction kinetics. First, the accuracy of several methods of automatic, high-throughput estimation of reaction rates are evaluated by comparison to a test set obtained from the NIST Chemical Kinetics Database. The methods considered, including the classic Evans-Polanyi correlation, the "rate rules" method currently used in the RMG software, and a new method based on group contribution theory, are shown to not yet obtain the order-of-magnitude accuracy desired for automatic mechanism generation. Second, a method of very accurate computation of bimolecular reaction rates using ring polymer molecular dynamics (RPMD) is presented. RPMD rate theory enables the incorporation of quantum effects (zero-point energy and tunneling) in reaction kinetics using classical molecular dynamics trajectories in an extended phase space. A general-purpose software package named RPMD-rate was developed for conducting such calculations, and the accuracy of this method was demonstrated by investigating the kinetics and kinetic isotope effect of the reaction OH + CH4 --> CH3 + H2O. Third, a general framework for incorporating pressure dependence in thermal unimolecular reactions, which require an inert third body to provide or remove the energy needed for reaction via bimolecular collisions, was developed. Within this framework, several methods of reducing the full, master equation-based model to a set of phenomenological rate coefficients k(T, P) are compared using the chemically-activated reaction of acetyl radical with oxygen as a case study, and recommendations are made as to when each method should be used. This also resulted in a general-purpose code for calculating pressure-dependent kinetics, which was applied to developing an ab initio model of the reaction of the Criegee biradical CH 200 with small carbonyls that reproduces recent experimental results. Finally, the ideas and techniques of estimating reaction kinetics are brought together for the development of a detailed kinetics model of the oxidation of diisopropyl ketone (DIPK), a candidate biofuel representative of species produced from cellulosic biomass conversion using endophytic fungi. The model is evaluated against three experiments covering a range of temperatures, pressures, and oxygen concentrations to show its strengths and weaknesses. Our ability to automatically generate this model and systematically improve its parameters without fitting to the experimental results demonstrates the validity and usefulness of the predictive chemical kinetics paradigm. These contributions are available as part of the Reaction Mechanism Generator (RMG) software package.

LLNL Chemical Kinetics Modeling Group

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ISBN 13 :
Total Pages : 8 pages
Book Rating : 4.:/5 (727 download)

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Book Synopsis LLNL Chemical Kinetics Modeling Group by :

Download or read book LLNL Chemical Kinetics Modeling Group written by and published by . This book was released on 2008 with total page 8 pages. Available in PDF, EPUB and Kindle. Book excerpt: The LLNL chemical kinetics modeling group has been responsible for much progress in the development of chemical kinetic models for practical fuels. The group began its work in the early 1970s, developing chemical kinetic models for methane, ethane, ethanol and halogenated inhibitors. Most recently, it has been developing chemical kinetic models for large n-alkanes, cycloalkanes, hexenes, and large methyl esters. These component models are needed to represent gasoline, diesel, jet, and oil-sand-derived fuels.

Kinetic Modeling of Combustion Characteristics of Real Biodiesel Fuels

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ISBN 13 :
Total Pages : 7 pages
Book Rating : 4.:/5 (727 download)

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Book Synopsis Kinetic Modeling of Combustion Characteristics of Real Biodiesel Fuels by :

Download or read book Kinetic Modeling of Combustion Characteristics of Real Biodiesel Fuels written by and published by . This book was released on 2009 with total page 7 pages. Available in PDF, EPUB and Kindle. Book excerpt: Biodiesel fuels are of much interest today either for replacing or blending with conventional fuels for automotive applications. Predicting engine effects of using biodiesel fuel requires accurate understanding of the combustion characteristics of the fuel, which can be acquired through analysis using reliable detailed reaction mechanisms. Unlike gasoline or diesel that consists of hundreds of chemical compounds, biodiesel fuels contain only a limited number of compounds. Over 90% of the biodiesel fraction is composed of 5 unique long-chain C1 and C16 saturated and unsaturated methyl esters. This makes modeling of real biodiesel fuel possible without the need for a fuel surrogate. To this end, a detailed chemical kinetic mechanism has been developed for determining the combustion characteristics of a pure biodiesel (B100) fuel, applicable from low- to high-temperature oxidation regimes. This model has been built based on reaction rate rules established in previous studies at Lawrence Livermore National Laboratory. Computed results are compared with the few fundamental experimental data that exist for biodiesel fuel and its components. In addition, computed results have been compared with experimental data for other long-chain hydrocarbons that are similar in structure to the biodiesel components.

Automatic Generation of Detailed Kinetic Models for Complex Chemical Systems

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ISBN 13 :
Total Pages : 174 pages
Book Rating : 4.:/5 (972 download)

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Book Synopsis Automatic Generation of Detailed Kinetic Models for Complex Chemical Systems by : Fariba Seyedzadeh Khanshan

Download or read book Automatic Generation of Detailed Kinetic Models for Complex Chemical Systems written by Fariba Seyedzadeh Khanshan and published by . This book was released on 2016 with total page 174 pages. Available in PDF, EPUB and Kindle. Book excerpt: Detailed chemical kinetic mechanisms represent molecular interactions that occur when chemical bonds are broken and reformed into new chemical compounds. Many natural and industrial processes such as combustion of hydrocarbons, biomass conversion into re- newable fuels, and synthesis of halogenated-hydrocarbon through halogenation reactions, include reaction network with hundred of species and thousands of reactions. Recently, the potential of such processes is leading to rapid industrial expansion and facing some technical drawbacks. Among various tools, detailed kinetic modeling is a reliable way to improve the scientific understanding of such systems and therefore optimize process conditions for desired production plans. Detailed chemical kinetic modeling is sensitive to the system chemistry, and sometimes too complex to model by hand. For example, utilizing predictive theoretical models by hand for biomass thermal conversion, which in- clude a wide variety of heavy cyclic oxygenated molecules, alcohols, aldehydes, ketones, ethers, esters, etc., is tedious. It is preferable to teach our chemistry knowledge to computers, and generate detailed chemical models automatically. To generate comprehensive detailed models, an extensive set of reaction classes, which would define how species can react with each other, should be implemented in mechanism generators. In this thesis, Reaction Mechanism Genera- tor (RMG), an open-source software, has been used to build detailed kinetic models for complex chemical systems. This thesis presents several significant contributions in the area of predictive automatic kinetic mechanism generation for biofuels thermal conversion and reactions of many chlo- rinated hydrocarbons. The first section of this thesis describes significant contributions in detailed kinetic modeling of bio-oil gasification for syngas production using RMG. The major challenge in modeling bio-oil gasification is the presence of a wide range of cyclic oxygenated species and several progress has been made in RMG to improve the automated chemical modeling of this process. RMG-built models were evaluated by comparison to available published data and to improve the understanding of such detailed models, dif- ferent types of analysis such as sensitivity analysis were performed. The second section of this thesis presents a theoretical study of the gas-phase unimolec- ular thermal decomposition of heterocyclic compounds via single step exo and endo ring opening reaction classes. Quantum chemical calculations were performed for a smaller set of reactants belonging to the endo and exo reaction classes and data were used to inspect the 'rate calculation rules' method. To study the e↵ect of the direct ring open- ing reactions in the automated detailed kinetic model generation, the bio-oil gasification mechanism, from Chapter 1, was updated after updating RMGs kinetic database with these new single step ring opening reaction classes and associated rate rules. The third section of this thesis provides significant contributions toward facilitating the automatic generation of predictive detailed kinetic models for 1,1,2,3- tetrachloropropene (1230xa) production and other hydrocarbon chlorination processes. In order to enable RMG to model chlorinated hydrocarbon conversions, the chlorine (Cl) chemistry has been added into the the Python version of the software. A model has been generated in RMG for 1230xa production with known associated thermodynamic and kinetic parameters. For model evaluation, reaction flux analysis and sensitivity analysis were performed to reveal the important reaction channels in the RMG-built model and several improvements to thermodynamic estimates were discussed. The ability to automatically generate these models for such complex chemical systems demonstrates the predictive capability of detailed chemical modeling. The impact of such models significantly improves the scientific understanding of two industrial chemical processes, bio-oil gasification and chlorination.

Advances in Biodiesel Production

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Publisher : Elsevier
ISBN 13 : 0857095862
Total Pages : 305 pages
Book Rating : 4.8/5 (57 download)

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Book Synopsis Advances in Biodiesel Production by : R Luque

Download or read book Advances in Biodiesel Production written by R Luque and published by Elsevier. This book was released on 2012-02-22 with total page 305 pages. Available in PDF, EPUB and Kindle. Book excerpt: Biodiesel is one of the main biofuels capable of substituting fossil fuel usage in compression ignition vehicles, and is used in a variety of fuel blends worldwide. First-generation biodiesel has been used in national markets for some time, with fuel quality standards in place for this purpose. There remain, however, several restrictions to sustainable and long term market development, which is influenced by many factors, including food vs. fuel pressures. The development of new generations of biodiesel, aimed at more sustainable and effective feedstock utilisation alongside improved production efficiency and fuel quality, is critical to the future both of this industry and of the continuing use of biodiesel fuels in transportation.This book provides a timely reference on the advances in the development of biodiesel fuels, production processes and technologies. Part one reviews the life cycle sustainability assessment and socio-economic and environmental policy issues associated with advanced biodiesel production, as well as feedstocks and fuel quality standards. This coverage is extended in Part two, with chapters focussing on the development of methods and catalysts essential to the improvement and optimisation of biodiesel production processes and technologies.With its distinguished editors and international team of contributors, Advances in biodiesel production a standard reference for chemical, biochemical and industrial process engineers, as well as scientists and researchers in this important field. - Provides a timely reference on the advances in the development of biodiesel fuels, production processes and technologies - Reviews the life cycle sustainability assessment and socio-economic and environmental policy issues associated with advanced biodiesel production, as well as feedstocks and fuel quality standards - Discusses the development of methods and catalysts essential to the improvement and optimisation of biodiesel production processes and technologies

Modelling Diesel Combustion

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Publisher : Springer Science & Business Media
ISBN 13 : 904813885X
Total Pages : 313 pages
Book Rating : 4.0/5 (481 download)

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Book Synopsis Modelling Diesel Combustion by : P. A. Lakshminarayanan

Download or read book Modelling Diesel Combustion written by P. A. Lakshminarayanan and published by Springer Science & Business Media. This book was released on 2010-03-03 with total page 313 pages. Available in PDF, EPUB and Kindle. Book excerpt: Phenomenology of Diesel Combustion and Modeling Diesel is the most efficient combustion engine today and it plays an important role in transport of goods and passengers on land and on high seas. The emissions must be controlled as stipulated by the society without sacrificing the legendary fuel economy of the diesel engines. These important drivers caused innovations in diesel engineering like re-entrant combustion chambers in the piston, lower swirl support and high pressure injection, in turn reducing the ignition delay and hence the nitric oxides. The limits on emissions are being continually reduced. The- fore, the required accuracy of the models to predict the emissions and efficiency of the engines is high. The phenomenological combustion models based on physical and chemical description of the processes in the engine are practical to describe diesel engine combustion and to carry out parametric studies. This is because the injection process, which can be relatively well predicted, has the dominant effect on mixture formation and subsequent course of combustion. The need for improving these models by incorporating new developments in engine designs is explained in Chapter 2. With “model based control programs” used in the Electronic Control Units of the engines, phenomenological models are assuming more importance now because the detailed CFD based models are too slow to be handled by the Electronic Control Units. Experimental work is necessary to develop the basic understanding of the pr- esses.

Advances in Feedstock Conversion Technologies for Alternative Fuels and Bioproducts

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Publisher : Academic Press
ISBN 13 : 0128179384
Total Pages : 416 pages
Book Rating : 4.1/5 (281 download)

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Book Synopsis Advances in Feedstock Conversion Technologies for Alternative Fuels and Bioproducts by : Majid Hosseini

Download or read book Advances in Feedstock Conversion Technologies for Alternative Fuels and Bioproducts written by Majid Hosseini and published by Academic Press. This book was released on 2019-02-23 with total page 416 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Feedstock Conversion Technologies for Alternative Fuels and Bioproducts: New Technologies, Challenges and Opportunities highlights the novel applications of, and new methodologies for, the advancement of biological, biochemical, thermochemical and chemical conversion systems that are required for biofuels production. The book addresses the environmental impact of value added bio-products and agricultural modernization, along with the risk assessment of industrial scaling. The book also stresses the urgency in finding creative, efficient and sustainable solutions for environmentally conscious biofuels, while underlining pertinent technical, environmental, economic, regulatory and social issues. Users will find a basis for technology assessments, current research capability, progress, and advances, as well as the challenges associated with biofuels at an industrial scale, with insights towards forthcoming developments in the industry. - Presents a thorough overview of new discoveries in biofuels research and the inherent challenges associated with scale-up - Highlights the novel applications and advancements for biological, biochemical, thermochemical and chemical conversion systems that are required for biofuels production - Evaluates risk management concerns, addressing the environmental impact of value added bio-products and agricultural modernization, and the risk assessment of industrial scaling

Global Chemical Kinetics of Fossil Fuels

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Publisher : Springer
ISBN 13 : 3319496344
Total Pages : 323 pages
Book Rating : 4.3/5 (194 download)

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Book Synopsis Global Chemical Kinetics of Fossil Fuels by : Alan K. Burnham

Download or read book Global Chemical Kinetics of Fossil Fuels written by Alan K. Burnham and published by Springer. This book was released on 2017-02-11 with total page 323 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book covers the origin and chemical structure of sedimentary organic matter, how that structure relates to appropriate chemical reaction models, how to obtain reaction data uncontaminated by heat and mass transfer, and how to convert that data into global kinetic models that extrapolate over wide temperature ranges. It also shows applications for in-situ and above-ground processing of oil shale, coal and other heavy fossil fuels. It is essential reading for anyone who wants to develop and apply reliable chemical kinetic models for natural petroleum formation and fossil fuel processing and is designed for course use in petroleum systems modelling. Problem sets, examples and case studies are included to aid in teaching and learning. It presents original work and contains an extensive reanalysis of data from the literature.

Detailed Chemical Kinetic Oxidation Mechanism for a Biodiesel Surrogate

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ISBN 13 :
Total Pages : 83 pages
Book Rating : 4.:/5 (727 download)

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Book Synopsis Detailed Chemical Kinetic Oxidation Mechanism for a Biodiesel Surrogate by :

Download or read book Detailed Chemical Kinetic Oxidation Mechanism for a Biodiesel Surrogate written by and published by . This book was released on 2007 with total page 83 pages. Available in PDF, EPUB and Kindle. Book excerpt: A detailed chemical kinetic mechanism has been developed and used to study the oxidation of methyl decanoate, a surrogate for biodiesel fuels. This model has been built by following the rules established by Curran et al. for the oxidation of n-heptane and it includes all the reactions known to be pertinent to both low and high temperatures. Computed results have been compared with methyl decanoate experiments in an engine and oxidation of rapeseed oil methyl esters in a jet stirred reactor. An important feature of this mechanism is its ability to reproduce the early formation of carbon dioxide that is unique to biofuels and due to the presence of the ester group in the reactant. The model also predicts ignition delay times and OH profiles very close to observed values in shock tube experiments fueled by n-decane. These model capabilities indicate that large n-alkanes can be good surrogates for large methyl esters and biodiesel fuels to predict overall reactivity, but some kinetic details, including early CO2 production from biodiesel fuels, can be predicted only by a detailed kinetic mechanism for a true methyl ester fuel. The present methyl decanoate mechanism provides a realistic kinetic tool for simulation of biodiesel fuels.

Chemical Kinetics of the Gas Phase Combustion of Fuels

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ISBN 13 :
Total Pages : 148 pages
Book Rating : 4.:/5 (31 download)

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Book Synopsis Chemical Kinetics of the Gas Phase Combustion of Fuels by : Francis Westley

Download or read book Chemical Kinetics of the Gas Phase Combustion of Fuels written by Francis Westley and published by . This book was released on 1976 with total page 148 pages. Available in PDF, EPUB and Kindle. Book excerpt: Work supported by the Office of Standard Reference Data, National Bureau of Standards, Naval Sea Systems Command, Department of the Navy, and Division of Conservation, Research and Technology, Energy Research and Development Administration.

Refinements of Chemical Kinetic Mechanisms for C2-C3 Hydrocarbon Fuels and a C9 Biodiesel Surrogate

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ISBN 13 :
Total Pages : 0 pages
Book Rating : 4.:/5 (138 download)

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Book Synopsis Refinements of Chemical Kinetic Mechanisms for C2-C3 Hydrocarbon Fuels and a C9 Biodiesel Surrogate by : 王信堯

Download or read book Refinements of Chemical Kinetic Mechanisms for C2-C3 Hydrocarbon Fuels and a C9 Biodiesel Surrogate written by 王信堯 and published by . This book was released on 2018 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: