Enthalpy of solvation of butanediols in different solvents
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چکیده
منابع مشابه
Solvation properties of ubiquinone-10 in solvents of different polarity.
The solvation properties of ubiquinone-10 and ubiquinol-10 in a wide variety of solvents of polarity varying from alkanes to water are reported. Greatest solubility is observed in solvents of intermediate polarity and particularly where low polarity is combined with a pronounced tendency to interact with the benzoquinone substituent of the ubiquinone molecule. This includes solvents like chloro...
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Equilibrium solvation in quadrupolar solvents.
We present a microscopic theory of equilibrium solvation in solvents with zero dipole moment and nonzero quadrupole moment (quadrupolar solvents). The theory is formulated in terms of autocorrelation functions of the quadrupolar polarization (structure factors). It can be therefore applied to an arbitrary dense quadrupolar solvent for which the structure factors are defined. We formulate a simp...
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Using molecular simulation to predict solute solvation and partition coefficients in solvents of different polarity.
A methodology is proposed for the prediction of the Gibbs energy of solvation (Δ(Solv)G) based on MD simulations. The methodology is then used to predict Δ(Solv)G of four solutes (namely propane, benzene, ethanol and acetone) in several solvents of different polarities (including n-hexane, n-hexadecane, ethylbenzene, 1-octanol, acetone and water) while testing the validity of the TraPPE force f...
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ژورنال
عنوان ژورنال: Thermochimica Acta
سال: 2000
ISSN: 0040-6031
DOI: 10.1016/s0040-6031(99)00318-4