The anisotropic united atoms (AUA4) model has been used for linear and branched alkanes to predict the surface tension as a function of temperature by Monte Carlo simulations. Simulations are carried out for n-alkanes ( n-C5, n-C6, n-C7, and n-C10) and for two branched C7 isomers (2,3-dimethylpentane and 2,4-dimethylpentane). Different operational expressions of the surface tension using both t...

A feasibility study was conducted to evaluate the capability of bacterial strains to degrade crude oil under in vitro conditions. Pseudomonas strain PS-I could degrade alkanes (70.69%) and aromatics (45.37%). Alkanes and aromatic fractions separated by column chromatography were analyzed by gas chromatography. In case of Pseudomonas strain PS-I, nC17/Pr, nC18/Ph ratios decreased from 2.5100 to ...

A Cu-catalyzed oxidative ipso-annulation of activated alkynes with unactivated alkanes for the synthesis of 3-alkyl spiro[4,5]trienones is described. This method allows the formation of two carbon-carbon bonds and one carbon-oxygen bond in a single reaction through a sequence of C-H oxidative coupling, ipso-carbocyclization and dearomatization.

The wetting behavior of oil on water (or brine) has important consequences for the transport properties of oil in watercontaining porous reservoirs, and consequently for oil recovery. The equilibrium wetting behavior of model oils composed of pure alkanes or alkane mixtures on brine is reviewed in this paper. Intermediate between the partial wetting state, in which oil lenses coexist on water w...

• Broomcorn millet was grown under controlled condition. H/D fractionation during seeds n -alkanes and miliacin synthesis examined. Leaf water δ 2 H value is the primary driver of lipid values. Relative humidity could explain subtle differences in ε bio between -alkanes. Compound specific hydrogen isotopic analyses have potential to reveal biosynthetic pathways biomarkers reconstruct effects st...

the relationship between the randic , wiener, hosoya , balaban, schultz indices, harary numbers anddistance matrix to enthalpies of formation (airf), heat capacity, (cp) , enthalpies of combustion (ah °c ),enthalpy of vaporization (ah °vap) and normal boiling points (bpk)of c2 c10 normal alkanes isrepresented

We combine scanning tunneling microscopy (STM) measurements with ab initio calculations to study the self-assembly of long chain alkanes and related alcohol and carboxylic acid molecules on graphite. For each system, we identify the optimum adsorption geometry and explain the energetic origin of the domain formation observed in the STM images. Our results for the hierarchy of adsorbate-adsorbat...

Radiocarbon ages of vascular plant wax-derived n-alkanes preserved in well-dated Holocene sediments in an anoxic fjord (Saanich Inlet, Canada) were found to be not only substantially older than the depositional age but increasingly so during the Holocene. Assuming that n-alkanes serve as a proxy for recalcitrant terrigenous organic matter, this indicates that the accumulation of refractory orga...