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

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

doi:10.1021/jp973042r

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: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

689 Citations (Scopus)

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)₂SO_4(cr),, (NH₄)₃H(SO₄)_2(cr), NH₄HSO_4(cr), (NH₄)₂SO₄·2NH₄NO _3(cr) (NH₄)₂SO₄·3NH₄3NH ₄-NO_3(cr), and NH₄HSO₄·NH₄NO_3(cr)) in the system H⁺-NH₄ ⁺-SO₄ ^2--NO ₃ ^--H₂O. The model is valid from 328 to 2SO₄-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 language	English
Pages (from-to)	2137-2154
Journal	The Journal of Physical Chemistry A
Volume	102
Issue number	12
DOIs	https://doi.org/10.1021/jp973042r
Publication status	Published - 19 Mar 1998
Externally published	Yes

Access Output

10.1021/jp973042r

Other Access Options

Check CityUHK Library

Permanent Link

Right click to copy link

Cite this

@article{b896adca6d25403ab6d340b4f95c17c0,

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

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 2SO4-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.",

author = "Clegg, {Simon L.} and Peter Brimblecombe and Wexler, {Anthony S.}",

year = "1998",

month = mar,

day = "19",

doi = "10.1021/jp973042r",

language = "English",

volume = "102",

pages = "2137--2154",

journal = "The Journal of Physical Chemistry A",

issn = "1089-5639",

publisher = "American Chemical Society",

number = "12",

}

TY - JOUR

T1 - Thermodynamic model of the system H+-NH4 +-SO4 2-NO 3 --H2O at tropospheric temperatures

AU - Clegg, Simon L.

AU - Brimblecombe, Peter

AU - Wexler, Anthony S.

PY - 1998/3/19

Y1 - 1998/3/19

N2 - 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 2SO4-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.

AB - 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 2SO4-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.

UR - http://www.scopus.com/inward/record.url?scp=11544267036&partnerID=8YFLogxK

UR - https://www.scopus.com/record/pubmetrics.uri?eid=2-s2.0-11544267036&origin=recordpage

U2 - 10.1021/jp973042r

DO - 10.1021/jp973042r

M3 - RGC 21 - Publication in refereed journal

SN - 1089-5639

VL - 102

SP - 2137

EP - 2154

JO - The Journal of Physical Chemistry A

JF - The Journal of Physical Chemistry A

IS - 12

ER -