RT info:eu-repo/semantics/article
T1 Orientational and steric effects in linear alkanoates + N-Alkane mixtures
A1 González López, Juan Antonio Mariano
A1 Hevia de los Mozos, Luis Fernando
A1 Sanz, Luis Felipe
A1 Lozano Martín, Daniel
A1 García de la Fuente, Isaías Laudelino
A1 Cobos Hernández, José Carlos
K1 Thermodynamics
K1 Alkanoates
K1 Orientational effects
K1 Steric effects
K1 Alcanoatos
K1 Efectos de orientación
K1 Efectos estéricos
K1 22 Física
AB The CH3(CH2)uCOO(CH2)vCH3 + n-alkane mixtures have been investigated on the basis of an experimental database containing effective dipole moments of esters, and excess molar functions of the systems: enthalpies (HEm), volumes (VEm ), isobaric heat capacities (CEpm ) and isochoric internal energies (UEVm ) and by means of the application of the Flory model and the Kirkwood-Buff formalism. The situation of the mixtures within theGEm (excess molar Gibbs energy) vs. HEm diagram has also been briefly considered. Results indicate that dispersive interactions are dominant and that steric effects can explain some differences between solutions containing heptane and isomeric esters. Proximity and orientational effects are also discussed in diester + hexane mixtures. In the case of systems with a given alkane and different isomeric polar compounds, orientational effects become weaker in the order: n-alkanone > dialkyl carbonate > n-alkanoate. Results from the Kirkwood-Buff formalism indicate that the number of ester-ester interactions decreases in systems with alkyl ethanoates when the alkyl size increases and that preferential solvation between polar molecules decreases as follows: dialkyl carbonate > n-alkanone > n-alkanoate.
PB Elsevier
SN 0378-3812
YR 2024
FD 2024
LK https://uvadoc.uva.es/handle/10324/64626
UL https://uvadoc.uva.es/handle/10324/64626
LA eng
NO Fluid Phase Equilibria, 2024, vol. 578, 114012
NO Producción Científica
DS UVaDOC
RD 22-dic-2024