Use of Pitzer equations to examine the formation of mercury(II) hydroxide and chloride complexes in NaClO4 media

Melchor González-Dávila; J. Magdalena Santana-Casiano; Frank J. Millero

doi:10.1007/s10498-007-9023-y

Use of Pitzer equations to examine the formation of mercury(II) hydroxide and chloride complexes in NaClO₄ media

Melchor González-Dávila, J. Magdalena Santana-Casiano, Frank J. Millero

Ocean Sciences

Research output: Contribution to journal › Article › peer-review

3 Scopus citations

Abstract

The thermodynamic stability constants for the hydrolysis and formation of mercury (Hg²⁺) chloride complexes Hg²⁺ + nH₂O = Hg(OH)_n^(2-n)+ + nH⁺ β_n Hg²⁺ + nCl^- = HgCl_n^(2-n)+ β_i have been used to calculate the activity coefficients for Hg(OH)_n^(2-n)+ and HgCl_n^(2-n)+ complexes using the Pitzer specific interaction model. These values have been used to determine the Pitzer parameters for the hydroxide and chloro complexes β_ML⁽⁰⁾, β_ML ⁽¹⁾ and C_ML). The values of λ_ij and ζ_ijk have been determined for the neutral complexes (Hg(OH)₂ and HgCl₂). The resultant parameters yield calculated values for the measured values of log β* to ±0.01 from I = 0.1 to 3 m at 25°C. Since the activity coefficients of Hg(OH)_n^(2-n)+ and HgCl_n^(2-n)+ are in reasonable agreement with the values for Pb(II), we have estimated the effect of temperature on the chloride constants for Hg(II) from 0 to 300°C and I = 0-6 m using the Pitzer parameters for PbCl_n^(2-n)+ complexes. The resulting parameters can be used to examine the speciation of Hg(II) with Cl^- in natural waters over a wide range of conditions.

Original language	English (US)
Pages (from-to)	339-355
Number of pages	17
Journal	Aquatic Geochemistry
Volume	13
Issue number	4
DOIs	https://doi.org/10.1007/s10498-007-9023-y
State	Published - Dec 2007

Keywords

Activity coefficients
Chloride complexes
Mercury(II) hydroxide
NaClO
Pitzer equations
Speciation

ASJC Scopus subject areas

Geophysics
Geochemistry and Petrology

Access to Document

10.1007/s10498-007-9023-y

Cite this

@article{79c7e75a9cda4addbb8eb1525a80bb8b,

title = "Use of Pitzer equations to examine the formation of mercury(II) hydroxide and chloride complexes in NaClO4 media",

abstract = "The thermodynamic stability constants for the hydrolysis and formation of mercury (Hg2+) chloride complexes Hg2+ + nH2O = Hg(OH)n(2-n)+ + nH+ βn Hg2+ + nCl- = HgCln(2-n)+ βi have been used to calculate the activity coefficients for Hg(OH)n(2-n)+ and HgCln(2-n)+ complexes using the Pitzer specific interaction model. These values have been used to determine the Pitzer parameters for the hydroxide and chloro complexes βML(0), βML (1) and CML). The values of λij and ζijk have been determined for the neutral complexes (Hg(OH)2 and HgCl2). The resultant parameters yield calculated values for the measured values of log β* to ±0.01 from I = 0.1 to 3 m at 25°C. Since the activity coefficients of Hg(OH)n(2-n)+ and HgCln(2-n)+ are in reasonable agreement with the values for Pb(II), we have estimated the effect of temperature on the chloride constants for Hg(II) from 0 to 300°C and I = 0-6 m using the Pitzer parameters for PbCln(2-n)+ complexes. The resulting parameters can be used to examine the speciation of Hg(II) with Cl- in natural waters over a wide range of conditions.",

keywords = "Activity coefficients, Chloride complexes, Mercury(II) hydroxide, NaClO, Pitzer equations, Speciation",

author = "Melchor Gonz{\'a}lez-D{\'a}vila and Santana-Casiano, {J. Magdalena} and Millero, {Frank J.}",

note = "Funding Information: Acknowledgements We acknowledge the support of the Oceanographic Section of the National Science Foundation, the National Oceanic and Atmospheric Administration and the Spanish Ministerio de Educacion y Ciencia project CTM2006-09857. MGD wishes to acknowledge the support of the Ministerio de Edu-cacion y Ciencia (PR2007-0163) for his stay in the USA. JMSC acknowledges the support of the Canary Islands Government for her stay in the USA.",

year = "2007",

month = dec,

doi = "10.1007/s10498-007-9023-y",

language = "English (US)",

volume = "13",

pages = "339--355",

journal = "Aquatic Geochemistry",

issn = "1380-6165",

publisher = "Springer Netherlands",

number = "4",

}

TY - JOUR

T1 - Use of Pitzer equations to examine the formation of mercury(II) hydroxide and chloride complexes in NaClO4 media

AU - González-Dávila, Melchor

AU - Santana-Casiano, J. Magdalena

AU - Millero, Frank J.

N1 - Funding Information: Acknowledgements We acknowledge the support of the Oceanographic Section of the National Science Foundation, the National Oceanic and Atmospheric Administration and the Spanish Ministerio de Educacion y Ciencia project CTM2006-09857. MGD wishes to acknowledge the support of the Ministerio de Edu-cacion y Ciencia (PR2007-0163) for his stay in the USA. JMSC acknowledges the support of the Canary Islands Government for her stay in the USA.

PY - 2007/12

Y1 - 2007/12

N2 - The thermodynamic stability constants for the hydrolysis and formation of mercury (Hg2+) chloride complexes Hg2+ + nH2O = Hg(OH)n(2-n)+ + nH+ βn Hg2+ + nCl- = HgCln(2-n)+ βi have been used to calculate the activity coefficients for Hg(OH)n(2-n)+ and HgCln(2-n)+ complexes using the Pitzer specific interaction model. These values have been used to determine the Pitzer parameters for the hydroxide and chloro complexes βML(0), βML (1) and CML). The values of λij and ζijk have been determined for the neutral complexes (Hg(OH)2 and HgCl2). The resultant parameters yield calculated values for the measured values of log β* to ±0.01 from I = 0.1 to 3 m at 25°C. Since the activity coefficients of Hg(OH)n(2-n)+ and HgCln(2-n)+ are in reasonable agreement with the values for Pb(II), we have estimated the effect of temperature on the chloride constants for Hg(II) from 0 to 300°C and I = 0-6 m using the Pitzer parameters for PbCln(2-n)+ complexes. The resulting parameters can be used to examine the speciation of Hg(II) with Cl- in natural waters over a wide range of conditions.

AB - The thermodynamic stability constants for the hydrolysis and formation of mercury (Hg2+) chloride complexes Hg2+ + nH2O = Hg(OH)n(2-n)+ + nH+ βn Hg2+ + nCl- = HgCln(2-n)+ βi have been used to calculate the activity coefficients for Hg(OH)n(2-n)+ and HgCln(2-n)+ complexes using the Pitzer specific interaction model. These values have been used to determine the Pitzer parameters for the hydroxide and chloro complexes βML(0), βML (1) and CML). The values of λij and ζijk have been determined for the neutral complexes (Hg(OH)2 and HgCl2). The resultant parameters yield calculated values for the measured values of log β* to ±0.01 from I = 0.1 to 3 m at 25°C. Since the activity coefficients of Hg(OH)n(2-n)+ and HgCln(2-n)+ are in reasonable agreement with the values for Pb(II), we have estimated the effect of temperature on the chloride constants for Hg(II) from 0 to 300°C and I = 0-6 m using the Pitzer parameters for PbCln(2-n)+ complexes. The resulting parameters can be used to examine the speciation of Hg(II) with Cl- in natural waters over a wide range of conditions.

KW - Activity coefficients

KW - Chloride complexes

KW - Mercury(II) hydroxide

KW - NaClO

KW - Pitzer equations

KW - Speciation

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U2 - 10.1007/s10498-007-9023-y

DO - 10.1007/s10498-007-9023-y

M3 - Article

AN - SCOPUS:36749089016

VL - 13

SP - 339

EP - 355

JO - Aquatic Geochemistry

JF - Aquatic Geochemistry

SN - 1380-6165

IS - 4

ER -