PROTON RESONANCE SHIFTS IN NITRIC ACID SOLUTIONS OF ALUMINUM NITRATE<sup>1</sup>

Axtmann, Robert C.; Shuler, W. E.; Murray, Bruce B.

doi:10.1021/j100830a014

Cited by 16 publications

(11 citation statements)

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“…23), it was considered prudent to use multi-temperature data from one source to avoid the noise that could arise from using data from different researchers at different temperatures. The data of Axtmann et al (1960) at 80° C, for example, has higher dissociation values than that of Hood & Reilly (1960) at 70° C, but both may be within the experimental uncertainty for that tendegree interval. Consequently, the dissociation data of Hood & Reilly (1960) was chose as the multitemperature data set because of its apparent credibility and its large temperature range (the work of Krawetz (1955) was limited to 50° rather than 70° C).…”

Section: Dissociation Datamentioning

confidence: 81%

“…The authors analyzed several sets of activity and dissociation data to generate a recommended set of consistent data. Among the dissociation data they incorporated into their work were the results of Krawetz (1955), Hood & Reilly (1960), and Axtmann et al (1960). Fig.…”

Section: Dissociation Datamentioning

confidence: 99%

“…24 shows that the results of Davis and De Bruin (1964), Krawetz (1955), and Hood & Reilly (1960) appear consistent, and therefore, were used in our regression. The data of Axtmann et al (1960) and Hood et al (1954), however, appear to be outliers and were, therefore, not used. Axtmann et al (1960) also have dissociation data at 40, 60, and 80° C, but it seems inconsistent with the expected trend of monotonic decrease with temperature.…”

Section: Dissociation Datamentioning

confidence: 99%

“…The data of Axtmann et al (1960) and Hood et al (1954), however, appear to be outliers and were, therefore, not used. Axtmann et al (1960) also have dissociation data at 40, 60, and 80° C, but it seems inconsistent with the expected trend of monotonic decrease with temperature. For example, below 5 molal dissociation at both 60 and 80° C are greater, rather than less, than that at 40° C. Above 11 molal, however, the data follows the trend of decreasing dissociation with increasing temperature, which is the trend the data of Hood & Reilly (1960) and Krawetz (1955) show at all molalities up to 20 m. The data of Axtmann et al (1960) at three concentrations at 40, 60, and 80° C is plotted in Figure 24.…”

Section: Dissociation Datamentioning

confidence: 99%

“…24 and the apparent deviations at 25° C displayed in Fig. 23 caused us to exclude the Axtmann et al (1960) dissociation data altogether. Hood & Reilly (1960) provide dissociation data at 0, 25, and 70° C, which we believe is credible because their data at 25° C is consistent with that of several other researchers, they critically evaluated their previous studies and were not afraid to propose improved values, and their data displayed the common trend of decreasing dissociation with increasing temperature.…”

Section: Dissociation Datamentioning

confidence: 99%

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Thermodynamic Phase And Chemical Equilibrium At 0-110 C For The H+-K+-Na+-Cl--H2O System Up To 16 Molal And The HNO3-H2O System Up To 20 Molal Using An Association-Based Pitzer Model Compatible With ASPEN Plus

Nichols¹,

Taylor²

2003

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A status is presented of the parameterization during FY2003 of an association-based Pitzer model to simulate chemical and phase equilibria of acid-chloride-nitrate-mercury aqueous electrolyte systems at 0-100û C within the industry-standard process simulator, ASPEN Plus. Compatibility with ASPEN Plus requires that the Pitzer model used be limited to the third virial coefficient and have the values of b and α 1 as originally proposed by Pitzer. Two aqueous models for 0-110û C at atmospheric pressure were parameterized in FY03. The model for the aqueous H + -K + -Na + -Cl -system is applicable for 0-16 molal, and the HNO 3 -H2O for 0-20 molal. An association-based Pitzer activity coefficient model is combined with Henry's law to predict activity/osmotic coefficient and VLE. The chloride model also predicts KCl and NaCl solubility, while the nitric acid model has the unique capability of predicting extent of dissociation with an average absolute deviation of 1.43%. The association-based approach presented here extends the utility of the molality-based Pitzer model past 6 molal to predict activity/osmotic coefficients up to 16-20 molal. The association-based approach offers the additional benefits of predicting extent of dissociation and of allowing the Pitzer model to be fully utilized in commercial simulators, such as ASPEN Plus, that require accounting for association to implement Henry's law. The Pitzer models presented here provide the chemical process simulation engineer with a superior alternative to the Electrolyte NRTL model that can easily be used in ASPEN Plus. iv EXECUTIVE SUMMARYA status is presented of the parameterization during FY2003 of an association-based Pitzer model to simulate chemical and phase equilibria of acid-chloride-nitrate-mercury aqueous electrolyte systems. This work was funded by the Laboratory Directed Research and Development (LDRD) program at the Idaho National Engineering and Environmental Laboratory (INEEL). The Pitzer model was originally developed for the 0-6 molal range, so many of the Pitzer parameter values in the literature are not applicable to high ionic-strength, complex mixtures, such as 10 molal SBW. The objective of this project is to obtain association-based parameters for the Pitzer model that will allow practitioners to perform process design involving liquid speciation, vapor-liquid, and solid-liquid equilibria of high ionic-strength, complex, electrolyte mixtures at 0-100û C within any process simulator where Pitzer's model has been implemented (in particular, ASPEN Plus, which has been selected for process modeling at INEEL).The parameterization of two aqueous models for 0-110û C at atmospheric pressure were performed in FY03. An association-based Pitzer activity coefficient model is combined with Henry's law to predict activity/osmotic coefficient and vapor-liquid equilibrium. The bulk of the work of parameterization involved the qualification of different data types from different researchers, at similar and different temperatures. The model for the a...

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Section: Dissociation Datamentioning

confidence: 81%

Section: Dissociation Datamentioning

confidence: 99%

Section: Dissociation Datamentioning

confidence: 99%

Section: Dissociation Datamentioning

confidence: 99%

Section: Dissociation Datamentioning

confidence: 99%

See 3 more Smart Citations

Thermodynamic Phase And Chemical Equilibrium At 0-110 C For The H+-K+-Na+-Cl--H2O System Up To 16 Molal And The HNO3-H2O System Up To 20 Molal Using An Association-Based Pitzer Model Compatible With ASPEN Plus

Nichols¹,

Taylor²

2003

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Macromolecular complexes consisting of poly(aluminum chloride), [2‐(diethylamino)ethyl]dextran hydrochloride, and potassium poly(vinyl sulfate)

Kikuchi

Kubota

1988

J of Applied Polymer Sci

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SynopsisThe mixture of poly(aluminum chloride) (PAC) and [2-(diethylamino)ethyl]dextran hydrochloride (EA) were allowed to react with potassium poly(viny1 sulfate) (PVSK) to form many different water-insoluble macromolecular complexes (MCs) in aqueous solution at various hydrogen ion concentrations. According to elemental analyses, IR spectroscopy, and solubilities of MCs, molecular structures of each MC depend on [H+]. I t is suggested that the MCs obtained at pH 1.0 are products consisting of EA, PVSK, and aluminum aquo-complex having coordination water whereas the MCs at pH 4.0 are higher molecular products consisting of EA, PVSK, and basic aluminum maltidentate complex. This result is attributable to change with [H+] in the degree of dissociation and conformation of EA, PVSK, and the dissociation of hydrated coordination of PAC. MC membranes were made by casting solutions of all kinds of MCs, and active, selective transport phenomena through a membrane of the MC prepared in a solution of pH 1.0 HCl were investigated under various conditions. Transport ratio of Na+ and the electric potential difference between the left and right sides of the membrane were measured, with a result that the higher value the membrane potential difference was long allowed to maintain, the higher the transport ratio became. According to this result, the driving force of transport is dependent on the membrane potential, Donnan potential, and diffusion potential, between both sides of the membrane. The C1-exclusion (Donnan exclusion), however, is small due to the small cationexchange capacity, so that the membrane potential difference is caused to decrease rather rapidly by C1-permeation. It was also suggested that the affinity of the carrier and both the chemical and physical properties of the MC membrane controlled the selective transport through the membrane.

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Kernresonanzuntersuchungen an Elektrolytlösungen

Hertz

1963

Ber Bunsenges Phys Chem

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Es wird ein zusammenfassender Bericht über Meßergebnisse und deren Deutungsmöglichkeiten gegeben. Die besprochenen Untersuchungen betreffen: Die chemische Verschiebung der Protonenresonanz von Wasser in Elektrolytlösungen und deren Zusammenhang mit den Hydratationseigenschaften der Ionen. die chemische Verschiebung der O17‐Resonanz des Lösungswassers, T1‐und T2‐Messungen an der H1‐ und O17‐Resonanz mit dem Ziel, Umorientierungs‐ und Verweilzeiten des H2O am Ion zu erhalten, Messungen der chemischen Verschiebung in Säurelösungen zur Ermittlung von Dissoziationsgraden und schließlich Verschiebungs‐ und Relaxationszeitmessungen an den Resonanzen von Ionenkernen für das Studium von Ionenassoziationen und Ionenverteilungen in der Lösung

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PROTON RESONANCE SHIFTS IN NITRIC ACID SOLUTIONS OF ALUMINUM NITRATE¹

Cited by 16 publications

References 0 publications

Thermodynamic Phase And Chemical Equilibrium At 0-110 C For The H+-K+-Na+-Cl--H2O System Up To 16 Molal And The HNO3-H2O System Up To 20 Molal Using An Association-Based Pitzer Model Compatible With ASPEN Plus

Thermodynamic Phase And Chemical Equilibrium At 0-110 C For The H+-K+-Na+-Cl--H2O System Up To 16 Molal And The HNO3-H2O System Up To 20 Molal Using An Association-Based Pitzer Model Compatible With ASPEN Plus

Macromolecular complexes consisting of poly(aluminum chloride), [2‐(diethylamino)ethyl]dextran hydrochloride, and potassium poly(vinyl sulfate)

Kernresonanzuntersuchungen an Elektrolytlösungen

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PROTON RESONANCE SHIFTS IN NITRIC ACID SOLUTIONS OF ALUMINUM NITRATE1

Cited by 16 publications

References 0 publications

Thermodynamic Phase And Chemical Equilibrium At 0-110 C For The H+-K+-Na+-Cl--H2O System Up To 16 Molal And The HNO3-H2O System Up To 20 Molal Using An Association-Based Pitzer Model Compatible With ASPEN Plus

Thermodynamic Phase And Chemical Equilibrium At 0-110 C For The H+-K+-Na+-Cl--H2O System Up To 16 Molal And The HNO3-H2O System Up To 20 Molal Using An Association-Based Pitzer Model Compatible With ASPEN Plus

Macromolecular complexes consisting of poly(aluminum chloride), [2‐(diethylamino)ethyl]dextran hydrochloride, and potassium poly(vinyl sulfate)

Kernresonanzuntersuchungen an Elektrolytlösungen

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PROTON RESONANCE SHIFTS IN NITRIC ACID SOLUTIONS OF ALUMINUM NITRATE¹