Abstract  The first regio- and stereocontrolled total synthesis of the bisphenolic, bisquaternary alkaloid (+)-dispegatrine (1) has been accomplished in an overall yield of 8.3% (12 reaction vessels) from 5-methoxy-d-tryptophan ethyl ester (17). A crucial late-stage thallium(III) mediated intermolecular oxidative dehydrodimerization was employed in the formation of the C9-C9' biaryl axis in 1. The complete stereocontrol observed in this key biaryl coupling step is due to the asymmetric induction by the natural sarpagine configuration of the monomer lochnerine (6) and was confirmed by both the Suzuki and the oxidative dehydrodimerization model studies on the tetrahydro β-carboline (35). The axial chirality of the lochnerine dimer (40) and in turn dispegatrine (1) was established by X-ray crystallography and was determined to be P(S). Additionally, the first total synthesis of the monomeric indole alkaloids (+)-spegatrine (2), (+)-10-methoxyvellosimine (5), (+)-lochnerine (6), lochvinerine (7), (+)-sarpagine (8), and (+)-lochneram (11) were also achieved via the common pentacyclic intermediate 16.

Abstract  Phosphate-modified mesoporous silica nanoparticle (PMSN) with large pores over 10 nm is very effective in disrupting biomimetic aggregates of Pluronic F127 PEO PPO PEO block copolymer induced by Mn2+. Mesoporous silica nanoparticies were prepared using cetyltrimethyl ammonium bromide (DAB) and tetramethyl orthosilicate (TMOS) in basic conditions. Mesopores were expanded up to 15 nm using 1,3,5-trimethylbenzene (TMB) as a pore expander and phosphate groups were attached on the surface of mesoporous silica nanoparticles using 3-(trihydroxysilyl)propyl methylphosphonate (THPMP). F127 block copolymers formed aggregates in Mn2+-containing methanol solution and the aggregation process was abruptly reduced by adding small amount of PMSNs, which are attributed to negatively-charged phosphate groups on PMSN surface and high mesoporosity of PMSNs. TEM images clearly showed PMSNs adsorb F127 block copolymers as well as Mn2+. (C) 2013 Elsevier B.V. All rights reserved.

Abstract  While exploring water soluble rhodamine based fluorescent polymeric systems for biological imaging applications we came across new rhodamine derivatives that possess interesting optical properties. We report the synthesis of three different 2 ',7 '-diphenylated rhodamine derivatives (1-3) with distinct photophysical properties. The three rhodamine derivatives differ by the number of methyl groups present on the nitrogens and their absorption maxima are red-shifted on increased methylation. We observed an unusual inertness of these compounds toward traditional DCC-DMAP esterification conditions, which we attribute to the ease of lactonization in the presence of even minute amounts of the nucleophile/base DMAP (pK(a) = 9.2). Synthesis of acrylate esters was successfully accomplished using MSNT (1-(Mesitylene-2-sulfonyl)-3-nitro-1,2,4-triazole) coupling conditions using a much milder nucleophile/base, for example, N-methyl imidazole (pK(a) = 6.95). (C) 2014 Elsevier Ltd. All rights reserved.

Abstract  In July 10, 2012 cold neutrons were generated for the first time with the unique pelletized cold neutron moderator CM-202 at the IBR-2M reactor. This new moderator system uses small spherical beads of a solid mixture of aromatic hydrocarbons (benzene derivatives) as the moderating material. Aromatic hydrocarbons are known as the most radiation-resistant hydrogenous substances and have properties to moderate slow neutrons effectively. Since the new moderator was put into routine operation in September 2013, the IBR-2 research reactor of the Frank Laboratory of Neutron Physics has consolidated its position among the world's leading pulsed neutron sources for investigation of matter with neutron scattering methods. (C) 2013 Elsevier B.V. All rights reserved.

Abstract  This study considers the application of a PDVSA Intevep additive (HIPZD) and a FCC Y zeolite commercial catalyst to reduce sulfur species in gasoline range hydrocarbons. The HIPZD additive and the FCC catalyst are blended and contacted with thiophene or benzothiophene and 1,3,5 trimethylbenzene (TMB) in a CREC Fluidized Riser Simulator. Temperatures, partial pressures, reaction times and C/O (catalyst/oil) ratios selected for the experiments, are representative of FCC industrial units. While it is shown that as expected, the proposed additive is not able to selectively remove benzothiophene species, it is proven that HIPZD displays excellent performance for thiophene removal in gasoline aromatic hydrocarbon media. This selective thiophene adsorption can be managed with minimal thiophene alkylation and gasoline catalytic cracking. It is found in this respect, that thiophene selective adsorption on the HIPZD occurs for reaction times smaller than 7 s. It is also observed that a 10 wt% HIPZD and 90 wt% FCC catalyst blend provides both a good and a practical manner to implement the HIPZD additive in FCC. Thus, on the basis of the results reported, it is anticipated that the HIPZD additive can provide valuable "in situ'' thiophene selective adsorption for the removal of thiophene under typical FCC riser operation conditions. (C) 2014 Elsevier Ltd. All rights reserved.

Abstract  Laminar flame speeds of mixtures of air with n-C14H30, n-C16H34, a petroleum-derived JP-5 jet fuel, a camelina-derived hydrotreated renewable JP-5 jet fuel, a petroleum-derived F-76 diesel fuel, and an algae-derived hydrotreated renewable F-76 diesel fuel, were measured in the counterflow configuration at atmospheric pressure and elevated unburned mixture temperatures. Digital particle image velocimetry was used to measure the axial flow velocities along the stagnation streamline. The experiments for n-C14H30/air and n-C16H34/air mixtures were modeled using recently developed kinetic models, and the experimental data were predicted satisfactorily. Both experiments and simulations revealed that the laminar flame speeds of n-C14H30/air and n-C16H34/air mixtures are very close to each other, as expected. On the other hand, the laminar flame speeds for the four practical fuels were found to be lower than n-C14H30 and n-C16H34, due to the presence of aromatics and branched hydrocarbons. Similarly, the laminar flame speeds for the alternative fuels were found to be higher than the petroleum-derived ones, again due to the presence of aromatic compounds in the latter. Further insight into the effects of kinetics and molecular transport was obtained through sensitivity analysis. (C) 2012 The Combustion Institute. Published by Elsevier Inc. All rights reserved.

Abstract  Current photochemical models developed to simulate the atmospheric degradation of aromatic hydrocarbons tend to underestimate OH radical concentrations. In order to analyse OH budgets, we performed experiments with benzene, toluene, p-xylene and 1,3,5-trimethylbenzene in the atmosphere simulation chamber SAPHIR. Experiments were conducted under low-NO conditions (typically 0.1-0.2 ppb) and high-NO conditions (typically 7-8 ppb), and starting concentrations of 6-250 ppb of aromatics, dependent on OH rate constants. For the OH budget analysis a steady-state approach was applied in which OH production and destruction rates (P-OH and D-OH) have to be equal. The P-OH were determined from measurements of HO2, NO, HONO, and O-3 concentrations, considering OH formation by photolysis and recycling from HO2. The D-OH were calculated from measurements of the OH concentrations and total OH reactivities. The OH budgets were determined from D-OH/P-OH ratios. The accuracy and reproducibility of the approach were assessed in several experiments using CO as a reference compound where an average ratio D-OH/P-OH = 1.13 +/- 0.19 was obtained. In experiments with aromatics, these ratios ranged within 1.1-1.6 under low-NO conditions and 0.9-1.2 under high-NO conditions. The results indicate that OH budgets during photo-oxidation experiments with aromatics are balanced within experimental accuracies. Inclusion of a further, recently proposed OH production via HO2 + RO2 reactions led to improvements under low-NO conditions but the differences were small and insignificant within the experimental errors.

Abstract  The mesocellular silica foams (MCF) modified by different sized Ni nanoparticles (≤27.4nm) were prepared through the wetness impregnation of low metal content (0.5-2.0wt%). The technology of inverse gas chromatography (IGC) was used to evaluate the size effect of Ni nanoparticles on the surface property of Ni/MCF and the probes of four n-alkanes (C6-C9), cyclohexane, benzene, toluene, trichloroethylene, and tetrachloroethylene were tested in the 463.2-493.2K temperature range. High free energy of adsorption and enthalpy of adsorption for the aromatic hydrocarbons were found over 1.0wt% Ni/MCF with small nanoparticles of ca. 5nm. The dispersive interaction parameter γS(D), and specific interaction parameter I(sp) increase with Ni nanoparticle size decreasing over Ni/MCF. The results indicate that Ni species highly dispersed on MCF support significantly promote the surface property of the specific interaction with the aromatic structure.

Abstract  2,3,5-Trimethylphenol (TMP) was oxidized with hydrogen peroxide employing cobalt based solid materials. K-6[CoW12O40]center dot 6H(2)O (CoW12) was probed as selective catalyst for the oxidation obtaining better results when it was supported over ZSM-5 zeolites (CoW12-ZSM-5). CoW12-ZSM-5 was found to be an efficient catalyst in the oxidation of TMP to 2,3,5-trimethylbenzoquinone (TMBQ) and 2,3,5-trimethylhydroquinone (TMHQ) under mild reaction conditions. Liquid phase reaction parameters were evaluated obtaining better results employing hydrogen peroxide as oxidant, with an oxidant/substrate molar ratio of 5, methanol as solvent and 60 degrees C as reaction temperature. An apparent activation energy of 94.19 kJ/mol was obtained. (c) 2012 Elsevier B.V. All rights reserved.

Abstract  Reaction of the doubly-bridged biscyclopentadienes (C5H4(EMe2))(C5H4(SiMe2)) (E = Si(1a), or C(1b)) with Re-2(CO)(10) in refluxing mesitylene gave the corresponding dirhenium carbonyl complexes [(eta(5)-C5H3)(2)(EMe2)(SiMe2)][Re(CO)(3)](2) (trans-2a, b and cis-2a, b), and the desilylated products [(eta(5)-C5H4)(2)(EMe2)][Re(CO)(3)](2) (3a, b). Photolysis of trans-2a, b with a series of aryl halides in benzene results in the formation of biphenyl, together with the corresponding rhenium dihalide complexes trans-[(eta(5)-C5H3)(2)(EMe2)(SiMe2)][Re(CO)(3)][Re(CO)(2)X-2] (X = Cl, Br, I) (4, 6, 8, or 10) and trans-[(eta(5)-C5H3)(2)(EMe2)(SiMe2)][Re(CO)(2)X-2](2) (5, 7, or 9). Additional experiments indicate that one phenyl ring in the resulting biphenyl comes from aryl halides and the other phenyl ring comes from the solvent benzene. However, photolysis of trans-2a with benzyl chloride and n-hexyl chloride in benzene afforded the corresponding bibenzyl and n-dodecane, as well as the rhenium dichlorides 8 and 9. In addition, complex trans-2a can also activate the C-F bond on C6F6 to form the pentafluorophenyl rhenium fluoride trans-[(eta(5)-C5H3)(2)(SiMe2)(2)][Re(CO)(3)][Re(CO)(2)(C6F5)F] (11). Molecular structures of cis-2a, cis-2b, trans-2b, 3b, 6, 7, 8, 11, and 12 determined by X-ray diffraction are also presented.

Abstract  We reported an efficient ligand-free Co(OAc)(2 center dot)4H(2)O/NaOH/O-2/ethylene glycol reaction system that enables selective aerobic oxidation of a wide range of substrates covering 2,6-di-EWG-, 2,3,6-tri-EWG-, 2-EWG-, and 2-EWG-6-EDG-substituted 4-cresols into the corresponding 4-hydroxybenzaldehydes. Based on the experimental investigations and well-defined p-benzoquinone methides, a plausible reaction mechanism was proposed. Considering the simplicity of the procedure and importance of the products, the methodology was expected to become a favorable and practical tool in related benzylic C(sp(3))-H functionalization chemistry. (C) 2013 Elsevier Ltd. All rights reserved.

Abstract  A highly efficient and green aerobic oxidation has been developed for selectively preparing a series of valuable 2,6-dialkyl-, dialkoxyl-, and alkoxylalkyl-substituted 4-hydroxybenzaldehydes from corresponding 4-cresols in good to excellent yields, using a catalytic system of Co(OAc)(2)center dot 4H(2)O (1.0mol%)-NaOH (1.0 equiv)-O-2 (1.0atm) in aqueous ethylene glycol (EG/H2O=20/1, v/v) at 50 degrees C. Furthermore, a plausible mechanism was proposed for the direct oxyfunctionalization of the aromatic methyl group into the aldehyde group.

Abstract  Bis(pyridinium salt)s containing different alkyl chain lengths and various organic counterions were prepared by the ring-transmutation reaction of bis(pyrylium tosylate) with aliphatic amines in dimethyl sulfoxide at 130-135 degrees C for 18 h and their tosylate counterions were exchanged to other anions such as triflimide, methyl orange, and dioctyl sulfosuccinate by the metathesis reaction in a common organic solvent. Their chemical structures were established by using H-1, F-19, and C-13 NMR spectra. The thermal properties of bis(pyridinium salt)s were studied by DSC and TGA measurements. Some of the dicationic salts provided low melting points below 100 degrees C and some of them displayed amorphous properties. Polarized optical microscopy studies revealed the crystal structures prior to melting temperatures in some cases. Their optical properties were examined by using UV-Vis and photoluminescent spectrometers; and they emitted blue light both in the solution and solid states regardless of their microstructures, counterions, and the polarity of organic solvents. However, most of these salts exhibited hypsochromic shifts in their emission peaks in the solid state when compared with those of their solution spectra. Due to unique properties of methyl orange anion as a pH indicator, two of the salts showed different color change in varying concentrations of triflic acid in common organic solvents, demonstrating their potential use as an acid sensor in methanol, acetonitrile and acetone. (C) 2013 Elsevier B.V. All rights reserved.

Abstract  The reaction of OH radicals with a series of methylated benzenes was studied in a temperature range 300-350 K using a flash-photolysis resonance fluorescence technique. Reversible OH additions led to complex OH decays dependent on the number of distinguishable adducts. Except for hexamethylbenzene, triexponential OH decay curves were obtained, consistent with formation of at least two adduct species. For three compounds that can strictly form two adduct isomers for symmetry reasons (1,4-dimethyl-, 1,3,5-trimethyl-, and 1,2,4,5-tetramethylbenzene) with OH bound ortho or ipso with respect to the methyl groups, OH decay curves were analysed in terms of a reaction mechanism in which the two adducts can be formed directly by OH addition or indirectly by isomerization. In all cases one adduct (add(1)) is dominating the decomposition back to OH. The other (add(2)) is more elusive and only detectable at elevated temperatures, similar to the single OH adduct of hexamethylbenzene. Two limiting cases of the general reaction mechanism could be examined quantitatively: reversible formation of add2 exclusively in the OH reaction or by isomerization of add1. Total OH rate constants, adduct loss rate constants and products of forward and reverse rate constants of reversible reactions were determined. From these quantities, adduct yields, equilibrium constants, as well as reaction enthalpies and entropies were derived for the three aromatics. Adduct yields strongly depend on the selected reaction model but generally formation of add1 predominates. For both models equilibrium constants of OH reactions lie between those of OH + benzene from the literature and those obtained for OH + hexamethylbenzene. The corresponding reaction enthalpies of add1 and add(2) formations are in a range -87 +/- 20 kJ mol(-1), less exothermic than for hexamethylbenzene (-101 kJ mol(-1)). Reaction enthalpies of possible add(1) -> add(2) isomerizations are comparatively small. Because results for 1,3,5-trimethylbenzene are partly inconsistent with a direct formation of add(2), we promote the existence of isomerization reactions. Moreover, based on available theoretical work in the literature, add(1) and add(2) are tentatively identified as ortho and ipso adducts, respectively. Total OH rate constants were obtained for all title compounds. They can be described by Arrhenius equations: k(OH) = A x exp(-B/T). The parameters ln(A/(cm(3) s(-1))) = -25.6 + 0.3, -25.3 + 0.6, -27.3 + 0.3, -24.6 + 0.3, -26.2 + 0.4, -26.2 + 0.4 and -24.5 +/- 0.2, and B/K = -160 +/- 90, -550 +/- 180, -1120 +/- 90, -330 +/- 100, -820 +/- 100, -980 +/- 130, and -570 +/- 40 were determined for 1,4-dimethyl-, 1,3,5-trimethyl-, 1,2,4,5-, 1,2,3,5- and 1,2,3,4-tetramethyl-, pentamethyl-, and hexamethylbenzene.

Abstract  Ultraviolet electronic transitions of the linear carbon chains C6, C7, C8, and C9 were measured in the gas phase by a mass-resolved 1 + 1 resonant two-photon ionization technique using a picosecond laser. Broad absorptions with band maxima at 230.2 and 259.0 nm are identified as N(3)Σ(u)(-) - X(3)Σ(g)(-) (N > 3) transition of C6 and C8, respectively. Based on calculated Franck-Condon intensities, the band maxima are identified as origin bands. An upper limit of 30 ps is determined for the N(3)Σ(u)(-) excited state lifetime of C6. The (1)Σ(u)(+)- X(1)Σ(g)(+) transition with band maximum at 238.5 nm was observed for C7 and at 279.0 nm for C9. The proposition that intramolecular processes in the excited electronic states of carbon chains can lead to broadening as in the diffuse interstellar absorptions is experimentally demonstrated.

Abstract  The series of alkali-metal (Li, Na, K) complexes of the substituted benzyl anion 3,5-dimethylbenzyl (Me2C6H3CH2(-)) derived from 1,3,5-trimethylbenzene (mesitylene) have been coerced into monomeric forms by supporting them with the tripodal tetradentate Lewis donor tris(N,N-dimethyl-2-aminoethyl)amine, [N(CH2CH2NMe2)3, Me6TREN]. Molecular structure analysis by X-ray crystallography establishes that the cation-anion interaction varies as a function of the alkali-metal, with the carbanion binding to lithium mainly in a σ fashion, to potassium mainly in a π fashion, with the interaction toward sodium being intermediate between these two extremes. This distinction is due to the heavier alkali-metal forcing and using the delocalization of negative charge into the aromatic ring to gain a higher coordination number in accordance with its size. Me6TREN binds the metal in a η(4) mode at all times. This coordination isomerism is shown by multinuclear NMR spectroscopy to also extend to the structures in solution and is further supported by density functional theory (DFT) calculations on model systems. A Me6TREN stabilized benzyl potassium complex has been used to prepare a mixed-metal ate complex by a cocomplexation reaction with tBu2Zn, with the benzyl ligand acting as an unusual ditopic σ/π bridging ligand between the two metals, and with the small zinc atom relocalizing the negative charge back on to the lateral CH2 arm to give a complex best described as a contacted ion pair potassium zincate.

Abstract  The kinetics of the irreversible phase conversion of covalent organic frameworks-1 (COF-1) has been investigated using time-resolved, in situ environmental X-ray diffraction (EXRD) and modeled with the Avrami-Erofe'ev model. Tightly fitting mesitylene solvent is found to be present in both the AB staggered and AA eclipsed polymorphs, which plays a key role in the phase change. Solid-state NMR (SSNMR) showed the presence of discrete dipolar coupling between residual mesitylene solvent and the framework in both polymorphs, indicative of a host-guest adsorptive interaction. Binding energy calculations indicate two different adsorbed mesitylene configurations in the AB and AA phases, both with short distances to the framework pore walls to generate the observed dipolar coupling. The mechanism of phase change has been illustrated using molecular dynamics simulations and was found to be a displacive transition from AB staggered to AA eclipsed COP-I structures, which was made possible due to low in-plane shear modulus of 2D COFs. Our findings highlight the polymorphic nature of COF-1 material mediated by the interactions with guest molecules and the irreversibility for polymorph formation and conversion.

Abstract  The arenium acid [mesitylene-H](+) has been shown to be an extraordinarily active H/D exchange catalyst for the perdeuteration of polycyclic aromatic hydrocarbons. The reactions take place under ambient conditions in C6D6 as an inexpensive deuterium source. High isolated yields and excellent degrees of deuterium incorporation were achieved using the substrates p-terphenyl, fluoranthene, pyrene, triphenylene, and corannulene.

Abstract  In the present work, two ultra-thin MFI membranes, prepared using hydroxide and fluoride ions as mineralizing agents, respectively, were carefully examined by permporometry. The amount of micropore defects, as determined by permporometry, differed significantly between the two different membranes. For the first time, it was demonstrated that the micropore defects determined by permporometry were most likely open grain boundaries. The results were verified by direct observation of the open grain boundaries by a state-of-the-art XHR-scanning electron microscopy instrument. In addition, the permporometry data were also consistent with permeation data using 1,3,5-trimethylbenzene (TMB) as a probe molecule, separation data using an equimolar mixture of n-hexane and TMB, and nitrogen adsorption data. (C) 2013 Elsevier Inc. All rights reserved.

Abstract  Dealkylation of methylethylbenzenes as well as the conversion of mixtures trimethylbenzenes (TMBs) and methylethylbenzenes (MEBs) over medium- and large-pore zeolites with different topologies and acid-site concentrations were investigated in a fluidized-bed reactor. MEB conversion, its dealkylation selectivity and transalkylation selectivity were profoundly influenced by the topology of the zeolites. Zeolite beta shows a highest MEB conversion (70-80%) while ZSM-5 exhibited very high dealkylation selectivity. The results of kinetic study indicate that MEB conversion is influenced by zeolite type and by SiO2/Al2O3 ratio. The extent of TMB and MEB conversions over different zeolites as well as xylene yields indicate that while ZSM-5 could substantially convert MEBs (mainly by dealkylation), it could not effectively catalyze TMB conversion. On the other hand, the conversions of MEBs as well as TMBs were quite high over mordenite and zeolite beta, resulting in much higher xylene yields. These results indicate that while the dealkylation of MEBs is a necessary condition, it is not a sufficient condition to obtain higher xylene yield. Kinetic modeling results show that the transalkylation reaction was significantly faster than the disproportionation reaction indicating that the transfer of methyl group from TMB to toluene is a preferred route under the reaction conditions studied. (C) 2013 The Institution of Chemical Engineers. Published by Elsevier B.V. All rights reserved.

Abstract  Hydrophilization of carbon surface is demanded in various application fields because it makes possible to employ aqueous/polar solvents as reaction and/or dispersion media. Chemical modifications of the carbon surface have been applied in previous hydrophilization techniques, whereas alternative hydrophilization pathway free from the surface modifications is expected to give considerable advantage because the obtained carbons keep inherent surface properties. Herein, we demonstrate structure-directed hydrophilization of mesoporous carbon (MC) films with well-designed mesotextures. MC films were prepared via organic-organic self-assembly of a phenolic resin in the presence of poly(styrene)-b-poly(4-vinylpyridine) and pore swelling agents. 1,3,5-Trimethylbenzene and polystyrene were employed as the pore swelling agents to control the mesotextures. Dewetting upon coating was kinetically suppressed by using solvents with a relatively low boiling point, which allows us to deposit MC films on various types of substrates. The obtained MC films exhibit a water contact angle below 30 degrees when 1,4-dioxane and toluene are employed as coating solvents. Carbon flakes obtained from the resultant carbon films show good dispersivity in water to yield a homogenous aqueous dispersion. (C) 2014 Elsevier Ltd. All rights reserved.

Abstract  Catalytic behaviour of pure zeolite ZSM-5 and a bi-porous composite material (BCM) were investigated in transformation of m-xylene, while zeolite HY and the bi-porous composite were used in the cracking of 1,3,5-triisopropylbenzene (TIPB). The micro/mesoporous material was used to understand the effect of the presence of mesopores on these reactions. Various characterisation techniques, that is, XRD, SEM, TGA, FT-IR and nitrogen sorption measurements were applied for complete characterisation of the catalysts. Catalytic tests using CREC riser simulator showed that the micro/mesoporous composite catalyst exhibited higher catalytic activity as compared with the conventional microporous ZSM-5 and HY zeolite for transformation of m-xylene and for the catalytic cracking of TIPB, respectively. The outstanding catalytic reactivity of m-xylene and TIPB molecules were mainly attributed to the easier access of active sites provided by the mesopores. Apparent activation energies for the disappearance of m-xylene and TIPB over all catalysts were found to decrease in the order: EBCM>EZSM-5 and EBCM>EHY, respectively. (c) 2012 Canadian Society for Chemical Engineering

Abstract  Distillate liquid yields from high hydrogen pressure catalytic conversion of coal processes, called Direct Coal Liquefaction (DCL), are typically high at 4-5 bbl/T coal on a dry ash free basis for the best available DCL processes, making them an attractive option to produce transportation fuels from coal. These yields are significantly higher than using the so called Indirect Coal to Liquid (ICL) route, i.e. gasification plus Fisher Tropsch (FT) synthesis. Nevertheless, DCL products are often considered as relatively low quality products and their chemical structure is not well known.

This work focuses on the physical/chemical standardized analyses and innovative detailed characterization of the properties and the unique composition of jet fuel and Diesel cuts obtained by DCL before and after hydroprocessing. It shows that 100% high quality fully desulfurized Jet A, Jet A-1 or JP-8 aviation fuels can be obtained when using the appropriate hydrocracking conditions. It also shows that the Diesel cut obtained from the same upgrading process can be used as a high quality component for transportation fuels with less than 5 ppm sulfur, exhibiting a very specific chemical structure that is accompanied by excellent cold flow properties and good combustion characteristics. This innovative detailed characterization of hydroprocessed DCL jet fuel and Diesel cuts was provided using a GC x GC method developed within the IFP Energies nouvelles (IFPEN) laboratories. (C) 2012 Elsevier Ltd. All rights reserved.

Abstract  Densities, rho, and speeds of sound, u, of binary liquid mixtures of 1-nonanol with o-xylene, m-xylene, p-xylene, ethylbenzene and mesitylene have been measured over the entire range of composition at T = (298.15 and 308.15) K and at atmospheric pressure. Using these results, the values of the excess molar volume, V-E, isentropic compressibility, kappa(S), molar isentropic compressibility, K-S,K-m, excess molar isentropic compressibility, K-S,m(E), deviations of the speed of sound, u(D), and excess partial molar volume, (V) over bar (E,0)(m,i), and excess partial molar isentropic compressibility, (K) over bar (E,0)(m,i) at infinite dilution, have been calculated. The calculated excess and deviation functions have been fitted to the Redlich-Kister polynomial equations and the results analysed in terms of molecular interactions. (C) 2012 Elsevier Ltd. All rights reserved.