Equilibrium constant and enthalpy for the hydrogen bonding of acetic acid with tetrahydrofuran in supercritical CO2

Citation
Q. Xu et al., Equilibrium constant and enthalpy for the hydrogen bonding of acetic acid with tetrahydrofuran in supercritical CO2, J PHYS CH A, 103(27), 1999, pp. 5240-5245
Citations number
42
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF PHYSICAL CHEMISTRY A
ISSN journal
10895639 → ACNP
Volume
103
Issue
27
Year of publication
1999
Pages
5240 - 5245
Database
ISI
SICI code
1089-5639(19990708)103:27<5240:ECAEFT>2.0.ZU;2-N
Abstract
FTIR spectroscopy was used to study the hydrogen bonding of acetic acid and tetrahydrofuran in supercritical (SC) CO2 in the ranges of 100-160 bar and 308.15-323.15 K, and the concentration of tetrahydrofuran varied from 0 to 0.4 mol/L. The equilibrium constant K-c for the hydrogen bonding of tetrah ydrofuran with the monomer of acetic acid was calculated on the basis of th e IR spectra determined. K-c is a strong function of pressure or the appare nt density of CO2 (moles CO2 of per liter). The enthalpy of the hydrogen bo nding was calculated on the basis of the relationship between K-c and tempe rature. In the lower isothermal compressible region of the fluid, both the enthalpy change (Delta H) and the entropy change (Delta S) of the hydrogen bending process are negative and the hydrogen bonding is enthalpy driven. I n the high isothermal compressible region, however, both Delta H and Delta S are positive, and the hydrogen bonding process becomes entropy driven.