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Development of a Thermodynamic Model Using a Speciation Framework: Illustration on the HNO3-H2O System
Published in American Chemical Society
2018
Volume: 57
   
Issue: 14
Pages: 5136 - 5141
Abstract
A rigorous thermodynamic framework based on speciation analysis is developed for an aqueous solution of nitric acid in this work. The model uses experimentally measured "extent of dissociation" for determining the thermodynamic dissociation constant of nitric acid in aqueous solutions at 25 °C. The activity coefficients of H+ and NO3- ions are modeled using Specific Ion Interaction Theory (SIT). SIT parameters for H+ and NO3- ionic activity coefficients and the parameters for activity coefficient of undissociated HNO3 are obtained using the proposed methodology. An important contribution of our approach is that the model developed is applicable over the concentration range of 0-22 M nitric acid which is of practical relevance. The model predictions of concentrations are consistent with data reported in the literature. © 2018 American Chemical Society.
About the journal
JournalData powered by TypesetIndustrial and Engineering Chemistry Research
PublisherData powered by TypesetAmerican Chemical Society
ISSN08885885
Open AccessNo
Concepts (13)
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    ACTIVITY COEFFICIENTS
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    Dissociation
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    Nitric acid
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    Thermodynamics
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    Concentration ranges
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    IONIC ACTIVITY COEFFICIENTS
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    Model prediction
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    SPECIATION ANALYSIS
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    SPECIFIC ION INTERACTION THEORIES
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    THERMODYNAMIC DISSOCIATION CONSTANTS
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    THERMODYNAMIC FRAMEWORK
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    Thermodynamic model
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    Solutions