Gas chromatographic retention data on 107 terpene hydrocarbons from the literature together with other data have been used to obtain a set of Abraham descriptors for these 107 compounds. For 88 aliphatic cyclic terpene hydrocarbons, a fragmentation scheme was constructed that allows key descriptors to be estimated just from structure. The total set of descriptors, including those estimated by t...

Surface-piercing propellers have been widely used in light and high-speed vessels because of their superior performance. One of the major steps in propeller selection algorithm is the determination of thrust as well as torque hydrodynamic coefficients. For the purpose of simplifying design and selection procedure, some relations are presented for determining hydrodynamic coefficients in some st...

the hydrogen abstraction reaction of oh radical with ch3ch2ocf2chf2 (hfe-374pc2) is investigated theoretically by semi-classical transition state theory. the stationary points on the potential energy surface of the reaction are located by using kmlyp density functional method along with 6-311++g(d,p) basis set. vibrational anharmonicity coefficients, xij, required for semi-classical transition ...

Water-to-polydimethylsiloxane (PDMS) and gas-to-PDMS sorption coefficients have been compiled for 170 gaseous and organic solutes. Both sets of sorption coefficients were analyzed using the Abraham solvation parameter model. Correlations were obtained for both "dry" headspace solid-phase microextraction and conventional "wet" PDMS coated surfaces. The derived equations correlated the experiment...

Optical spectroscopies have been intensively used to determine partition coefficients by a plethora of methodologies. The present review is intended to give detailed and useful information for the determination of partition coefficients and addresses several relevant aspects, namely: (i) definition and calculation of the partition coefficient between aqueous and lipidic phases; (ii) partition c...