Thermodynamic model of the system H+-NH4 +-SO4 2-NO 3 --H2O at tropospheric temperatures

Simon L. Clegg, Peter Brimblecombe, Anthony S. Wexler

Research output: Contribution to journalArticle

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Abstract

A multicomponent mole-fraction-based thermodynamic model is used to represent aqueous phase activities, equilibrium partial pressures (of H2O, HNO3, and NH3), and saturation with respect to solid phases (H2SO4 and HNO3 hydrates, (NH4)2SO4(cr),, (NH4)3H(SO4)2(cr), NH4HSO4(cr), (NH4)2SO4·2NH4NO 3(cr) (NH4)2SO4·3NH43NH 4-NO3(cr), and NH4HSO4·NH4NO3(cr)) in the system H+-NH4 +-SO4 2--NO 3 --H2O. The model is valid from 328 to <200 K. dependent upon liquid-phase composition. Parameters for H2SO4-H2O, HNO3-H2O, and (NH4)2SO4-H2O interactions were adopted from previous studies, and values for NH4NO3-H2O obtained from vapor pressures (including data for supersaturated solutions), enthalpies, and heat capacities. Parameters for ternary interactions were determined from extensive literature data for salt solubilities, electromotive forces (emfs), and vapor pressures with an emphasis upon measurements of supersaturated H2SO4-(NH4)2SO4-H 2O solutions Comparisons suggest that the model satisfactorily represents partial pressures of both NH3 and H2SO4 above acidic sulfate mixtures in addition to that of HNO3, and salt solubilities and water activities.

Original languageEnglish (US)
Pages (from-to)2137-2154
Number of pages18
JournalJournal of Physical Chemistry A
Volume102
Issue number12
StatePublished - Mar 19 1998
Externally publishedYes

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Thermodynamics
Vapor pressure
Partial pressure
thermodynamics
vapor pressure
partial pressure
solubility
Solubility
Salts
salts
Electromotive force
electromotive forces
Hydrates
Phase composition
hydrates
Temperature
Sulfates
Specific heat
temperature
solid phases

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

Cite this

Clegg, S. L., Brimblecombe, P., & Wexler, A. S. (1998). Thermodynamic model of the system H+-NH4 +-SO4 2-NO 3 --H2O at tropospheric temperatures. Journal of Physical Chemistry A, 102(12), 2137-2154.

Thermodynamic model of the system H+-NH4 +-SO4 2-NO 3 --H2O at tropospheric temperatures. / Clegg, Simon L.; Brimblecombe, Peter; Wexler, Anthony S.

In: Journal of Physical Chemistry A, Vol. 102, No. 12, 19.03.1998, p. 2137-2154.

Research output: Contribution to journalArticle

Clegg, SL, Brimblecombe, P & Wexler, AS 1998, 'Thermodynamic model of the system H+-NH4 +-SO4 2-NO 3 --H2O at tropospheric temperatures', Journal of Physical Chemistry A, vol. 102, no. 12, pp. 2137-2154.
Clegg, Simon L. ; Brimblecombe, Peter ; Wexler, Anthony S. / Thermodynamic model of the system H+-NH4 +-SO4 2-NO 3 --H2O at tropospheric temperatures. In: Journal of Physical Chemistry A. 1998 ; Vol. 102, No. 12. pp. 2137-2154.
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