Energy Technology Data Exchange (ETDEWEB)

The development of detailed chemical kinetic reaction mechanisms for oxidation of n-octane and iso-octane is described, with emphasis on the factors which are specific to many large hydrocarbon fuel molecules. Elements which are of particular importance are found to include site-specific abstraction of H atoms, radical isomerization of alkyl radicals by internal H atom abstraction, and rapid ..beta..-scission of the alkyl radicals. These features, combined with distinctions in the types of intermediate olefin species produced, are used to explain the significant differences in the rate of oxidation between n-octane and iso-octane. Experimental results from the turbulent flow reactor and low pressure laminar flames, using both n-octane and iso-octane as fuels, are used to test the reaction mechanisms and indicate those parts of the total mechanisms which are in ...

Energy Technology Data Exchange (ETDEWEB)

A CRC cooperative program was conducted to determine the difference in octane requirements between technical raters and 'customers' (the general driving public). The tests were conducted in two phases, with the second being a repeat of the first to verify the results obtained. The trained raters used the CRC E-15 procedure to determine the octane requirement of the vehicles while the customers' perception and objection to knock were determined through the use of a questionnaire. The customers' responses (perception and objection level) were based upon audible knock, acceleration performance, and after-run on a series of full-boiling-range customer/rater unleaded (FBRCU) reference-fuels. Data were analyzed from 168 1988-1991 model-year vehicles, with 126 of these tested in Phase II. The results showed that the customers, objections and perceptions were overwhelmingly based on knock, rather than acceleration ...

Energy Technology Data Exchange (ETDEWEB)

A detailed chemical kinetic model to describe the autoignition of gasoline surrogate fuels is presented consisting of the fuels iso-octane, n-heptane, toluene, diisobutylene and ethanol. Model predictions have been compared with shock tube ignition delay time data for surrogates of gasoline over practical ranges of temperature and pressure, and the model has been found to be sensitive to both changes in temperature and pressure. Moreover, the model can qualitatively predict the observed synergistic and antagonistic non-linear blending behaviour in motor octane number (MON) for different combinations of primary reference fuels (PRFs) and non-PRFs by correlating calculated autoignition delay times from peak pressures and temperatures in the MON test to experimental MON values. The reasons for the blending behaviour are interpreted in terms autoignition chemistry. 37 refs., 11 figs., 4 tabs.

Energy Technology Data Exchange (ETDEWEB)

Since the most efficient way to improve fuel economy in the part-load range is to increase the compression ratio, emphasis is placed on combustion chambers allowing high compression ratios combined with low octane requirements. According to Porsche experience, many demands can be met in the simplest manner by locating the combustion chamber in the piston crown. This configuration offers various advantages over its counterpart installed in the cylinder head. 24 refs.

Science.gov (United States)

The objective of the current research in coal liquefaction is to produce a synthetic crude from coal at a cost lower than $30.00 per barrel (Task A). A second objective is to produce a fuel which is low in aromatics, yet of sufficiently high octane number for use in the gasoline-burning transportation vehicles of today. To meet this second objective, research was proposed for conversion of the highly-aromatic liquid product from coal conversion to a product high in isoparaffins, which compounds in the gasoline range exhibit a high octane number (Task B). Experimental coal liquefaction studies conducted in a batch microreactor in the laboratory have demonstrated potential for high conversions of coal to liquids with low yields of hydrocarbon (HC) gases, hence small consumption of hydrogen in the primary liquefaction step. Ratios of liquids/HC gases as high as 30/1, at liquid yields as high as 82% of the coal by weight, have been achieved. The ...

Science.gov (United States)

Catalytic testing of inorganic catalysts was continued with the highly active sulfate-modified zirconia catalyst prepared here. Using isobutanol as the only reactant over this catalyst, it was demonstrated that high conversion and selectivity to isobutene was achieved at 175[degrees]C. In addition, the high selectivity to isobutene, i.e. 79--86 mol%, was maintained at higher space velocities and higher temperatures. A high productivity of 11.35 mol isobutene was achieved at 225[degrees]C. Utilizing a methanol/isobutanol = 2/1 molar ratio reactant mixture over the ZrO[sub 2]/SO[sub 4][sup 2[minus

International Nuclear Information System (INIS)

The solvent extraction of 12-phosphotungstic acid, also known as 12-tungstophosphoric acid-H_3PW_1_2O_4_0, the so-called Keggin heteropolyacid - by 0.73 M (20%v/v) tri-n-butyl phosphate (TBP) in n-octane under conditions comparable to those used previously for the extraction of conventional inorganic mineral acids is described. A simplified phase diagram for the pentanary system comprised of H_3PW_1_2O_4_0, HNO_3, H_2O, TBP, and n-octane reveals an extremely low initial concentration of H_3PW_1_2O_4_0 (1.1 mM) at the LOC (limiting organic concentration) condition, far lower than the most effective third-phase-forming inorganic acid, namely HClO_4. The results from small-angle neutron scattering (SANS) indicate that the interparticle attraction energy - U(r) calculated through application of the Baxter sticky sphere model to the SANS data at the LOC condition - does not approach the -2 k_B T value associated with phase splitting in previous ...

Energy Technology Data Exchange (ETDEWEB)

Detailed chemical kinetic reaction mechanisms have been developed to describe the pyrolysis and oxidation of nine n-alkanes larger than n-heptane, including n-octane (n-C{sub 8}H{sub 18}), n-nonane (n-C{sub 9}H{sub 20}), n-decane (n-C{sub 10}H{sub 22}), n-undecane (n-C{sub 11}H{sub 24}), n-dodecane (n-C{sub 12}H{sub 26}), n-tridecane (n-C{sub 13}H{sub 28}), n-tetradecane (n-C{sub 14}H{sub 30}), n-pentadecane (n-C{sub 15}H{sub 32}), and n-hexadecane (n-C{sub 16}H{sub 34}). These mechanisms include both high temperature and low temperature reaction pathways. The mechanisms are based on our previous mechanisms for the primary reference fuels n-heptane and iso-octane, using the reaction class mechanism construction first developed for n-heptane. Individual reaction class rules are as simple as possible in order to focus on the parallelism between all of the n-alkane fuels included in the mechanisms, and these mechanisms will be refined further in ...

Energy Technology Data Exchange (ETDEWEB)

A phenomenological model of turbulent combustion has been developed and validated against data from wide ranging tests on a Ricardo E6 engine. Most tests used iso-octane, with a range of air fuel ratios and ignition timings, for tests at full throttle (with and without knock) and at part throttle. Some full throttle tests were also conducted with methanol and toluene. The engine performance was characterized by mean and coefficient of variation (CoV) of: the peak pressure, the maximum rate of pressure rise, the IMEP, the burn rate and flame speed measurements. The results have been used to argue that the cycle-by-cycle variations in combustion should be characterized by the CoV of IMEP in preference to the CoV of the maximum cylinder pressure. Evidence is also presented to support the observation that the cycle-by-cycle variations in combustion are lower when the early combustion is more rapid. It has also been shown that the CoV of IMEP is a minimum in the region ...

Energy Technology Data Exchange (ETDEWEB)

This report documents the concluding efforts at the Engineering Sciences Laboratory of TRW on two specific areas of current research activity within the more general context of proposed lean-burn operation of Otto-cycle-type automotive engines. These areas are: (1) achievement of knock-free performance, both under available fuels and current compression ratios and also under higher-octane fuels (e.g., alcohols) and higher-compression-ratio design (for greater thermal efficiency); and (2) identification of counterstrategies for two-wall (crevice-type) quenching of flame propagation, a phenomenon now widely acknowledged to be the major source of unburned-hydrocarbon emissions exhausted from homogeneous-charge cyclinders. There are certainly other highly active areas of research in Otto-cycle engines, such as turbocharging, ignition devices, and valve design, but the two above-cited topics were the topics of this project.

Energy Technology Data Exchange (ETDEWEB)

An ignition timing control apparatus is described for an internal combustion engine having a reference ignition timing comprising: sensing means for sensing vibrations including knocks of the engine; knock signal deriving means for deriving knock signals from the output of the sensing means; correction magnitude determining means for determining from the knock signals derived by the knock signal deriving means of ignition timing correction magnitude for suppressing the occurrence of knock; displacement magnitude determining means for determining from at least one of an output of the knock signal deriving means and an output of the correction magnitude determining means as a displacement magnitude for the reference ignition timing corresponding to the octane rating of a fuel used in the engine; and ignition timing determining means for setting the reference ignition timing at an optimum ignition timing angle for the engine responsive to the correction magnitude ...

Energy Technology Data Exchange (ETDEWEB)

A flow microcalorimeter of the Picker design has been used to measure molar excess enthalpies at 298.15 K of the seven binary liquid mixtures 1-chloronaphthalene + n-hexane, + n-heptane, + n-octane, + n-decane, + n-dodecane, + n-pentadecane, and + n-hexadecane. Experiments were performed in the discontinuous mode, covering essentially the whole composition range. The overall imprecision of the measurements is characterized by standard deviations from Redlich-Kister type smoothing equations of generally less than +- 1 per cent of the maximum value Hsub(max)sup(E) of the excess enthalpy (with respect to mole fraction). The most striking feature is that for 6 <= n <= 16 (n denotes the number of C-atoms of the n-alkane) Hsub(max)sup(E) decreases with increasing n, the correlation being approximately linear. - For the mixtures 1-chloronaphthalene + n-hexane, + n-heptane, + n-octane, + n-dodecane, + n-pentadecane, and + n-hexadecane molar ...

Energy Technology Data Exchange (ETDEWEB)

The trend towards more effective use of fossil fuels and reduced environmental pollution represents a major task of improvement within the refinery processes. The highly isomerized and high octane paraffins produced from isobutane and light olefins by alkylation fulfill all the requirements for reformulated gasoline. This doctoral thesis discusses new catalyst systems because of their potential in alkylation. A slurry reactor apparatus for solid-acid catalysed isobutane/butene alkylation was developed and used to investigate the performance of various heterogeneous catalysts. The selected materials were mainly zeolite types with faujasite structures. The samples were characterized by various methods before alkylation. In general, the order of decreasing catalyst activity after 3 h of reaction at 80{sup o}C was found to be: H-EMT >> H-FAU, dealuminated H-FAU >> NS.500, TA-Y, CeY-98 > Nafion-H. The order of decreasing alkylate selectivity of the ...

Energy Technology Data Exchange (ETDEWEB)

Detailed chemical kinetic reaction mechanisms are developed for combustion of all nine isomers of heptane (C{sub 7}H{sub 16}), and these mechanisms are tested by simulating autoignition of each isomer under rapid compression machine conditions. The reaction mechanisms focus on the manner in which the molecular structure of each isomer determines the rates and product distributions of possible classes of reactions. The reaction pathways emphasize the importance of alkylperoxy radical isomerizations and addition reactions of molecular oxygen to alkyl and hydroperoxyalkyl radicals. A new reaction group has been added to past models, in which hydroperoxyalkyl radicals that originated with abstraction of an H atom from a tertiary site in the parent heptane molecule are assigned new reaction sequences involving additional internal H atom abstractions not previously allowed. This process accelerates autoignition in fuels with tertiary C-H bonds in the parent fuel. In addition, the rates of ...

Energy Technology Data Exchange (ETDEWEB)

A study was conducted to determine the feasibility and the opportunity of photochemical pretreatment on the biodegradation and detoxification of Methyl Tert Butyl Ether (MTBE), Ethyl Tert Butyl Ether (ETBE) and Tert Amyl Methyl Ether (TAME), the most common oxygenates used as octane enhancers in unleaded gasoline. The production, storage, uses and disposal of oxygenates result in an unknown amount of groundwater pollution. Because of their high solubility, MTBE, ETBE and TAME are detected in large portions in saturated zones of aquifers. The biodegradation of these oxygenates is difficult and slow, and information regarding their biodegradability is scarce. Photo-decomposition of oxidants under appropriate UV radiation has been shown to be very effective because the hydroxyl radicals produced possess high oxidation potential. In this study, the H{sub 2}O{sub 2}/UV process was used to generate hydroxyl radicals. Maximal oxygenates transformation was obtained in a ...

Energy Technology Data Exchange (ETDEWEB)

In Canada, the federal government, through CANMET, is actively supporting coal liquefaction research and development in a number of areas. A review of the basic principles and some of the processes in the production of liquid fuels from coal is presented with reference to the characteristics of the Canadian coal resource base. An overview of the CANMET coal liquefaction contract program is presented and specific results from the batch autoclave studies carried out with Saskatchewan lignite and Nova Scotia high-volatile bituminous coals are discussed. The development of a laboratory-scale continuous-flow coal liquefaction unit at the Energy Research Laboratories of CANMET to investigate the co-processing of coal and bitumen/heavy oil is also described. In principle, there are only two routes to the production of liquid fuels from coal - a degradation route and a synthesis route. The degradation route partially breaks the complex coal structure into simpler molecules. This route can be ...

Energy Technology Data Exchange (ETDEWEB)

A plan has been put forth to strategically thin northern California forests to reduce fire danger and improve forest health. The resulting biomass residue, instead of being open burned, can be converted into ethanol that can be used as a fuel oxygenate or an octane enhancer. Economic potential for a biomass-to-ethanol facility using this softwood biomass was evaluated for two cases: Stand-alone and co-located. The co-located case refers to a specific site with an existing biomass power facility owned by Wheelabrator Environmental Systems Inc. near Martell, California. A two-stage dilute acid hydrolysis process is used for the production of ethanol from softwoods, and the residual lignin is used to generate steam and electricity. For a plant processing 800 dry tonnes per day of feedstock, the co-located case is an economically attractive concept. Total estimated capital investment is approximately $ 70 million for the co-located case. The resulting internal rate of ...