نتایج جستجو برای: solubility parameter
تعداد نتایج: 236329 فیلتر نتایج به سال:
The basics of quantum mechanics and statistical thermodynamics were used to predict the potential energy and intermolecular forces of asphaltene molecules. The parameters associated with the chemical structure were also estimated for a specific asphaltene molecule to predict the Mie potential function. Based on the structural results, a new form of the Virial EOS with Peneloux correction wa...
Objective: Solubility is a key parameter as it is one of the main causes for poor bioavailability. The objective was to improve the solubility and dissolution profile of poorly-soluble silymarin with a water-soluble carrier fulvic acid. Materials and methods: Phase solubility studies were carried out for the determination of stoichiometric ratio between silymarin and fulvic acid by Higuchi and ...
Benzopolysulfanes, 4-CH(3)(OCH(2)CH(2))(3)NHC(O)-C(6)H(4)-1,2-S(x) (x = 3-7 and 9) were synthesized with a PEG group attached through an amide bond and examined for water solubility, antitumor activity, and propensity to equilibrate and desulfurate. LCMS and HPLC data show the PEG pentasulfane ring structure predominates, and the tri-, tetra-, hexa-, hepta-, and nonasulfanes were present at ver...
We introduce the Cohesive Energy Density (CED) method, a multiple sampling Molecular Dynamics computer simulation procedure that may offer higher consistency in the estimation of Hildebrand and Hansen solubility parameters. The use of a multiple sampling technique, combined with a simple but consistent molecular force field and quantum mechanically determined atomic charges, allows for the prec...
A simplified mathematical model which made use of Fick's laws of diffusion written in spherical coordinates was developed to describe the rate of diffusion of residual monomers from polymer resins. The properties of the monomer-polymer system which influenced the amount of monomer remaining in the polymer as a function of time were the diffusivity and solubility of the monomer in the polymer, a...
UNLABELLED As acidic monomers of self-etching adhesives are incorporated into dental adhesives at high concentrations, the adhesive becomes more hydrophilic. Water sorption by polymers causes plasticization and lowers mechanical properties. The purpose of this study was to compare the water sorption and modulus of elasticity (E) of five experimental neat resins (EX) of increasing hydrophilicity...
We investigated binding between dopant atoms such as boron and arsenic and various elements in group IV e.g., C, Ge, Sn, and Pb to explore opportunities for increasing dopant solubility, which is becoming critical for nanoscale semiconductor technology. Using first principles calculations, we find the dominant component of binding to be global strain compensation. We find negligible direct loca...
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