The primary objectives of this work were to formulate, blend, and characterize a set of four ultra-low-sulfur diesel surrogate fuels in quantities sufficient to enable their study in single-cylinderengine and combustion-vessel experiments. The surrogate fuels feature increasing levels of compositional accuracy (i.e., increasing exactness in matching hydrocarbon structural characteristics) relative to the single target diesel fuel upon which the surrogate fuels are based. This approach was taken to assist in determining the minimum level of surrogate-fuel compositional accuracy that is required to adequately emulate the performance characteristics of the target fuel under different combustion modes. For each of the four surrogate fuels, an approximately 30-liter batch was blended, and a number of the physical and chemical properties were measured. Lastly, this publication documents the surrogate fuel creation process and the results of the property measurements.

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.

There has been much recent progress in the area of surrogate fuels for diesel. In the last few years, experiments and modeling have been performed on higher molecular weight components of relevance to diesel fuel such as n-hexadecane (n-cetane) and 2,2,4,4,6,8,8-heptamethylnonane (iso-cetane). Chemical kinetic models have been developed for all the n-alkanes up to 16 carbon atoms. Also, there has been much experimental and modeling work on lower molecular weight surrogate components such as n-decane and do-decane which are most relevant to jet fuel surrogates, but are also relevant to diesel surrogates where simulation of the full boiling point range is desired. For the cycloalkanes, experimental work on decalin and tetralin recently has been published. For multi-component surrogate fuel mixtures, recent work on modeling of these mixtures and comparisons to real diesel fuel is reviewed. Detailed chemical kinetic models for surrogate fuels are very large in size. Significant progress also has been made in improving the mechanism reduction tools that are needed to make these large models practicable in multidimensional reacting flow simulations of diesel combustion. Nevertheless, major research gaps remain. In the case of iso-alkanes, there are experiments and modeling work on only one of relevance to diesel: iso-cetane. Also, the iso-alkanes in diesel are lightly branched and no detailed chemical kinetic models or experimental investigations are available for such compounds. More components are needed to fill out the iso-alkane boiling point range. For the aromatic class of compounds, there has been no new work for compounds in the boiling point range of diesel. Most of the new work has been on alkyl aromatics that are of the range C7 to C8, below the C10 to C20 range that is needed. For the chemical class of cycloalkanes, experiments and modeling on higher molecular weight components are warranted. Finally for multi-component surrogates needed to treat real diesel, the inclusion of higher molecular weight components is needed in models and experimental investigations.

The last three chapters of this book deal with application of methods presented in previous chapters to estimate various thermodynamic, physical, and transport properties of petroleum fractions. In this chapter, various methods for prediction of physical and thermodynamic properties of pure hydrocarbons and their mixtures, petroleum fractions, crude oils, natural gases, and reservoir fluids are presented. As it was discussed in Chapters 5 and 6, properties of gases may be estimated more accurately than properties of liquids. Theoretical methods of Chapters 5 and 6 for estimation of thermophysical properties generally can be applied to both liquids and gases; however, more accurate properties can be predicted through empirical correlations particularly developed for liquids. When these correlations are developed with some theoretical basis, they are more accurate and have wider range of applications. In this chapter some of these semitheoretical correlations are presented. Methods presented in Chapters 5 and 6 can be used to estimate properties such as density, enthalpy, heat capacity, heat of vaporization, and vapor pressure. Characterization methods of Chapters 2-4 are used to determine the input parameters needed for various predictive methods. One important part of this chapter is prediction of vapor pressure that is needed for vapor-liquid equilibrium calculations of Chapter 9.

Combustion has played a central role in the development of our civilization which it maintains today as its predominant source of energy. The aim of this book is to provide an understanding of both fundamental and applied aspects of low-temperature combustion chemistry and autoignition. The topic is rooted in classical observational science and has grown, through an increasing understanding of the linkage of the phenomenology to coupled chemical reactions, to quite profound advances in the chemical kinetics of both complex and elementary reactions. The driving force has been both the intrinsic interest of an old and intriguing phenomenon and the centrality of its applications to our economic prosperity. The volume provides a coherent view of the subject while, at the same time, each chapter is self-contained.

The 21st Century Truck Partnership (21CTP), a cooperative research and development partnership formed by four federal agencies with 15 industrial partners, was launched in the year 2000 with high hopes that it would dramatically advance the technologies used in trucks and buses, yielding a cleaner, safer, more efficient generation of vehicles. Review of the 21st Century Truck Partnership critically examines and comments on the overall adequacy and balance of the 21CTP. The book reviews how well the program has accomplished its goals, evaluates progress in the program, and makes recommendations to improve the likelihood of the Partnership meeting its goals. Key recommendations of the book include that the 21CTP should be continued, but the future program should be revised and better balanced. A clearer goal setting strategy should be developed, and the goals should be clearly stated in measurable engineering terms and reviewed periodically so as to be based on the available funds.

Thermodynamic and Transport Properties This paperback book/disk set provides a comprehensive collection of thermodynamic tables and transportation properties in an easily accessible format. Featuring both English and SI units, the program features new substances such as the latest refrigerants and fuels. A variety of combinations of properties can be used as input for the disk calculations. This easy-to-use, mouse-driven program offers graphing and printing capabilities. This Outstanding Resource: Features full thermodynamic tables for 25 substances including: water, various refrigerants, cryogenic fluids, and hydrocarbons. Tables include numerical values for equation of state constants and virial coefficients. Highlights transport properties for a variety of gases, liquids, and solids. Covers new substances, such as refrigerants (R-134a, R-123, and R-152a) and fuels (methane, ethane, and ethylene). Contains ideal gas tables with thermochemical properties and equilibrium constants. Includes tables with numerical values for equation of state constants and virial coefficients. Minimum Hardware Requirements: IBM compatible 386 (486 DX or better recommended) VGA graphics Windows 3.1 or later 4 MB RAM 5 MB of available disk space