Search results for "partition coefficient"
showing 10 items of 146 documents
Partitioning of nitrogen during melting and recycling in subduction zones and the evolution of atmospheric nitrogen
2019
Abstract The subduction of sediment connects the surface nitrogen cycle to that of the deep Earth. To understand the evolution of nitrogen in the atmosphere, the behavior of nitrogen during the subduction and melting of subducted sediments has to be estimated. This study presents high-pressure experimental measurements of the partitioning of nitrogen during the melting of sediments at sub-arc depths. For quantitative analysis of nitrogen in minerals and glasses, we calibrated the electron probe micro-analyzer on synthetic ammonium feldspar to measure nitrogen concentrations as low as 500 μg g−1. Nitrogen abundances in melt and mica are used together with mass balance calculations to determi…
Lower mantle hydrogen partitioning between periclase and perovskite : a quantum chemical modelling
2016
Abstract Partitioning of hydrogen (often referred to as H2O) between periclase (pe) and perovskite (pvk) at lower mantle conditions (24–80 GPa) was investigated using quantum mechanics, equilibrium reaction thermodynamics and by monitoring two H-incorporation models. One of these (MSWV) was based on replacements provided by Mg2+ ↔ 2H+ and Si4+ ↔ 4H+; while the other (MSWA) relied upon substitutions in 2Mg2+ ↔ Al3+ + H+ and Si4+ ↔ Al3+ + H+. H2O partitioning in these phases was considered in the light of homogeneous (Bulk Silicate Earth; pvk: 75%–pe:16% model contents) and heterogeneous (Layered Mantle; pvk:78%–pe:14% modal contents) mantle geochemical models, which were configured for lower…
ASSESSING TRACE ELEMENT (DIS)EQUILIBRIUM AND THE APPLICATION OF SINGLE ELEMENT THERMOMETERS IN METAMORPHIC ROCKS
2018
Abstract Empirical and experimental calibration of single element solubility thermometers, such as Zr-in-rutile, Zr-in-titanite, Ti-in-zircon, and Ti-in-quartz, within the past 13 years has greatly expanded our ability to assess the pressure and temperature conditions of individual minerals associated with specific textures in metamorphic rocks. Combined with advances in in situ techniques for analyzing trace concentrations, this has led to an increase in the combined use of single element thermometers, geochronometers, and isotope ratios, often simultaneously, in metamorphic minerals. Here we review the calibration and application of single element thermometers at the pressure and temperat…
Chlorine Partitioning Between a Basaltic Melt and H2O-CO2 Fluids at Mount Etna
2009
Partitioning experiments between a basaltic melt from Mt. Etna and a low-density hydrous fluid or vapor containing H(2)O or H(2)O-CO(2) were performed at 1200-1260 degrees C, at pressures between 1 and 200 MPa, either near the nickel-nickel oxide (NNO) buffer or at two log units above it (NNO + 2), and with different chloride concentrations. Most of the experiments were done at chloride-brine-undersaturated conditions, although at the highest Cl concentrations explored brine saturation might have been reached. The average partition coefficients (D(Cl)(fluid/melt)) over the range of Cl concentrations were derived on a weight basis by plotting the calculated concentrations of Cl in the fluid …
Aroma Volatility from Aqueous Sucrose Solutions at Low and Subzero Temperatures
2004
International audience; The gas-liquid partition coefficients of ethyl acetate and ethyl hexanoate have been measured in water and aqueous sucrose solutions from 25 to -10 degrees C by dynamic headspace. Experiments were carried out on sucrose solutions at temperatures where no ice formation was possible. Results showed that when sucrose concentration increased, aroma volatility increased except for ethyl hexanoate and in the highest sucrose concentration solution (57.5%). A quasi-linear temperature decrease on aroma volatility was observed in sucrose solutions from 25 to around 4 and 0 degrees C. Then, from 0 to -10 degrees C, aroma volatility did not decrease: ethyl acetate volatility rem…
Interactions between volatiles and lipids in complex systems
1998
Partition equilibria of three aroma compounds in three different biphasic systems were studied by a liquid/liquid partition technique to investigate interactions that occur between volatiles and lipids in biphasic solutions. The lipids used were linoleic acid and ricinoleic acid and tetradecane as a model. The three aroma compounds were ethyl acetate, 2,5-dimethylpyrazine, and oct-1-en-3-ol. The results showed that the intermolecular forces involved were weak. Infrared spectroscopy was then performed on binary systems (tetradecane and linoleic acid or aroma compound) and on ternary systems (tetradecane, linoleic acid, and aroma compound) to determine the nature of the interactions. This met…
Calculations of organic-solvent dispersions of single-wall carbon nanotubes
2005
The aqueous solubility Sw and 1-octanol–(Po), cyclohexane–(Pch), and chloroform–(Pcf) water partition coefficients are calculated. The properties of single-wall carbon nanotubes (SWNT) are related to the indices (n, m) designating the chiral vector. SWNTs are classified in zigzag (n, 0), armchair (n, n), and chiral (n, m). These properties permit classifying SWNTs according to (n, m). Correlations between (n2 + nm + m2)1/2, log Sw, log Po, log Pch, and log Pcf show that (n, m) are adequate indices. The (10,10) is the most abundant SWNT, presenting consistency between great kinetic stability, small Sw, and great {Po, Pch, Pcf}. The room temperature solubility of SWNTs is investigated in a va…
Binding of basic amphipathic peptides to neutral phospholipid membranes: a thermodynamic study applied to dansyl-labeled melittin and substance P ana…
1997
A thermodynamic approach is proposed to quantitatively analyze the binding isotherms of peptides to model membranes as a function of one adjustable parameter, the actual peptide charge in solution z(p)+. The main features of this approach are a theoretical expression for the partition coefficient calculated from the molar free energies of the peptide in the aqueous and lipid phases, an equation proposed by S. Stankowski [(1991) Biophysical Journal, Vol. 60, p. 341] to evaluate the activity coefficient of the peptide in the lipid phase, and the Debye-Huckel equation that quantifies the activity coefficient of the peptide in the aqueous phase. To assess the validity of this approach we have s…
Temperature dependent properties of environmentally important synthetic musks.
2002
Environmental fate determining physical properties including their temperature dependence for five nitro musks and for seven polycyclic musks were estimated. The properties evaluated were vapor pressure in a solid and liquid state (PS and PL), solubility in water (S), Henry's law coefficient (H = PL/S) and log octanol-water partition coefficient (log KOW). Gas chromatography for starting values of vapor pressure estimation and HPLC experiments at 5-20 degrees C for comparison of the theoretical versus experimental solubilities in water were performed. The values of temperature (T) dependence coefficients (Ai and Bi) in equations: log (Property)i = Ai - Bi/T were determined. Values of proper…
Thermodynamic Study of Small Hydrophobic Ions at the Water–Lipid Interface
2001
Abstract The thermodynamics of binding of two small hydrophobic ions such as norharman and tryptophan to neutral and negatively charged small unilamellar vesicles was investigated at pH 7.4 using fluorescence spectroscopy. Vesicles were formed at room temperature from dimyristoyl phosphatidylcholine (DMPC) or DMPC/dimyristoylphosphatidic acid and DMPC/dimyristoylphosphatidylglycerol. The changes in fluorescence properties were used to obtain association isotherms at variable membrane surface negative charge and at different ionic strengths. The binding of both ions was found to be quantitatively enhanced as the percentage of negative phospholipid increases in the membrane. Also, a decrease …