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15 results on '"Davila, Maria J."'

9. On the properties of methylbenzoate/n-hexane mixed solvents: a theoretical and experimental study

Author

Aparicio, Santiago, Alcalde, Rafael, Davila, Maria J., Garcia, Begona, and Leal, Jose M.

Subjects
Methyl groups -- Structure, Methyl groups -- Mechanical properties, Methyl groups -- Thermal properties, Molecular dynamics -- Analysis, Benzoic acid -- Structure, Benzoic acid -- Mechanical properties, Benzoic acid -- Thermal properties, Entropy (Physics) -- Analysis, Chemicals, plastics and rubber industries
Abstract

Methylbenzoate/n-hexane mixed solvents are studied as a function of pressure and temperature in the whole composition range. A reliable description of the fluid structure is provided and it can be used to predict aromatic ester containing mixture properties.

Published
2008

10. Properties and structure of aromatic ester solvents

Author

Aparicio, Santiago, Alcalde, Rafael, Davila, Maria J., Garcia, Begona, and Leal, Jose M.

Subjects
Aromatic compounds -- Structure, Aromatic compounds -- Chemical properties, Esters -- Chemical properties, Esters -- Structure, Molecular dynamics -- Analysis, Chemicals, plastics and rubber industries
Abstract

The theoretical and experimental studies of the aromatic ester solvents family are presented. The molecular dynamics simulations have provided theoretical values of thermophysical properties and valuable molecular level structural information.

Published
2007

11. Properties of 1, 8-cineole: A thermophysical and theoretical study

Author

Aparicio, Santiago, Alcalde, Rafael, Davila, Maria J., Garcia, Begona, and Leal, Jose M.

Subjects
Liquids -- Density, Liquids -- Research, Equations of state -- Analysis, Eucalyptus oil -- Structure, Eucalyptus oil -- Thermal properties, Chemicals, plastics and rubber industries
Abstract

An empirical and theoretical analysis of the structure and properties of 1, 8-cineole, the principal ingredients of essential oils in various plants, is described to study of the pressure-volume-temperature behavior of the fluid over a range of temperature and pressure. A complex fluid structure is proposed on the basis of the macroscopic and microscopic analysis.

Published
2007

12. PVTx measurements of the N-methylpyrrolidone/methanol mixed solvent: Cubic and SAFT EOS analyses

Author

Aparicio, Santiago, Garcia, Begona, Alcalde, Rafael, Davila, Maria J., and Leal, Jose M.

Subjects
Nitrogen compounds -- Electric properties, Chemical reactions -- Analysis, Pyrrole -- Electric properties, Chemicals, plastics and rubber industries
Abstract

The strongly nonideal behavior of the N-methylpyrrolidone (NMP) + methanol binary solvent was studied over the wide ranges of pressure and temperature. From the measured and derived excess properties, strong H-bonding is correlated with several cubic EOS, yielding inaccurate results with the most common equation of state (EOS) and very good data fitting with the Sako-Wu-Prausnitz equation.

Published
2006

13. Characterization of lactam-containing binary solvents by solvatochromic indicators

Author

Garcia, Begona, Aparicio, Rafael, Alcalde, Rafael, Ruiz, Rebeca, Davila, Maria, J., and Leal, Jose M.

Subjects
Chemistry, Physical and theoretical -- Research, Solvents -- Properties, Solvents -- Research, Solvation -- Research, Chemicals, plastics and rubber industries
Abstract

The solvatochromic indicators 4-nitroanisole, 4-nitroaniline, 4-nitrophenol, and Reichard's dye are used to analyze the 2-pyrrolidinone (PYR)/water, N-methylpyrrolidinone (NMP)/water, and PYR/NMP binary solvents. A preferential solvation model was applied to analyse the solvation effect of the indicator by the different solvents used.

Published
2004

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