Dielectric constant of water from 0 to 100 C

Malmberg, C.; Maryott, A. A.

doi:10.6028/jres.056.001

Cited by 669 publications

(423 citation statements)

References 4 publications

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“…Other thermodynamic properties over a range of temperature for the TIP5P-E model are shown on Table II. A comparison is made with the TIP5P model results 2,4 as well as experimental data [55][56][57][58][59][60] ͑which for some temperatures are interpolations between reported data points͒. Results using two different system sizes are reported ͑256 and 512 molecules͒ at some temperatures.…”

Section: Resultsmentioning

confidence: 99%

A reoptimization of the five-site water potential (TIP5P) for use with Ewald sums

Rick

2004

The Journal of Chemical Physics

373

426

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The five-site transferable interaction potential ͑TIP5P͒ for water ͓M. W. Mahoney and W. L. Jorgensen, J. Chem. Phys. 112, 8910 ͑2000͔͒ is most accurate at reproducing experimental data when used with a simple spherical cutoff for the long-ranged electrostatic interactions. When used with other methods for treating long-ranged interactions, the model is considerably less accurate. With small modifications, a new TIP5P-like potential can be made which is very accurate for liquid water when used with Ewald sums, a more physical and increasingly more commonly used method for treating long-ranged electrostatic interactions. The new model demonstrates a density maximum near 4°C, like the TIP5P model, and otherwise is similar to the TIP5P model for thermodynamic, dielectric, and dynamical properties of liquid water over a range of temperatures and densities. An analysis of this and other commonly used water models reveals how the quadrupole moment of a model can influence the dielectric response of liquid water.

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Section: Resultsmentioning

confidence: 99%

A reoptimization of the five-site water potential (TIP5P) for use with Ewald sums

Rick

2004

The Journal of Chemical Physics

373

426

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“…Based on data provided by Marcus for NaClO 4 solution ( ClO 4 = 10, Na = 7, and = ClO 4 + Na ) and the permittivity temperature dependence w ( ) of pure water [40], the relative variation of the dielectric constant of 0.1 M sodium perchlorate solution from 15 ∘ C to 55 ∘ C is only −17%. This variation is small and does not induce a significant effect on the stability constants.…”

Section: Binding Isotherms At Various Temperaturesmentioning

confidence: 99%

Actinide oxalate complexes formation as a function of temperature by capillary electrophoresis coupled with inductively coupled plasma mass spectrometry

et al. 2014

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confirmed the formation of the 1 : 1, 1 : 2 and 1 : 3 complexes for U(VI) and Am(III); the formation of the 1 : 1 and 1 : 2 complexes for Np(V) and the formation of only 1 complex for Pu(V). For each complex, the thermodynamic parameters (the Gibbs energy Δ r ( ), the molar entropy change Δ r ( ) and the molar enthalpy change Δ r ( 0 )) were fitted to the experimental data. The effect of the ionic medium was treated using the specific ion interaction theory and the thermodynamic parameters at zero ionic strength were compared to previously published data.

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“…The polynomial fit results in an R 2 value of 0.9993. Interestingly, permittivity of pure water as a function temperature is also a third order polynomial (Malmberg and Maryott, 1956). This is not unexpected as permittivity is an extensive property that is dependent on resistance.…”

Section: Resultsmentioning

confidence: 99%

Determining detection limits of aqueous anions using electrochemical impedance spectroscopy

Scott

Alseiha

2017

J Anal Sci Technol

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Background: Pulsed amperometric detection is a relatively new method for detection of ions and especially nonelectrolytes such as carbohydrates in aqueous solutions. Pulsed amperometric detection relies on a redox reaction while electrochemical impedance simply measures the real and capacitive resistant of the solution. There is a correlation between the real impedance of a solution and the ionic strength of the solution.Method: This work explores measuring real impedance of pure water as a function of temperature from 25.0 to 60.0°C to determine the relationship between impedance and temperature. Maintaining temperature at 25.0°C, solutions of sodium chloride, potassium carbonate, sodium sulfate acetate and bicarbonate have been measured using impedance spectroscopy. Results: Regression analysis shows that measuring anions using impedance spectroscopy and simple stainless steel cylinders that detection limits at the parts per trillion (ppt) level are possible. There was no statistical difference when comparing impedance values of the same concentration of acetate and chloride in solution, showing real impedance is not dependent on ion size. However, ions with higher charge do result in lower impedance measurements. Conclusions: This work establishes the use of simple, small, robust stainless steel cylinders and impedance measurements following separation for the identification and quantification of ions in solution.

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Dielectric constant of water from 0 to 100 C

Cited by 669 publications

References 4 publications

A reoptimization of the five-site water potential (TIP5P) for use with Ewald sums

A reoptimization of the five-site water potential (TIP5P) for use with Ewald sums

Actinide oxalate complexes formation as a function of temperature by capillary electrophoresis coupled with inductively coupled plasma mass spectrometry

Determining detection limits of aqueous anions using electrochemical impedance spectroscopy

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