Vibrational Mechanics and Binding Energies of Some Rare Earth H. C. P. Metals

Saxena, K. C.; Rathore, Rajendra

doi:10.1002/pssb.2221760107

Cited by 3 publications

(6 citation statements)

References 24 publications

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“…On the theoretical side, over the last decade models have been developed from the principles of chemical thermodynamics to simulate gas-particle equilibrium in atmospheric ammonia-sulfate-nitratesodium-chloride-water systems (Saxena et al, 1986;Pilinis and Seinfeld, 1987). These models embody computational schemes to solve numerically the system of algebraic equations representing equilibrium reactions, mass balances for solutes over different phases and chemical forms, and a charge balance over the aqueous phase.…”

Section: Introductionmentioning

confidence: 99%

Coupling Thermodynamic Theory with Measurements to Characterize Acidity of Atmospheric Particles

Saxena

Mueller

Kim

et al. 1993

Aerosol Science and Technology

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The reference method currently being used in community health studies to characterize the acidity of atmospheric particles is based upon measuring the pH of aqueous extracts of atmospheric particles collected on filter media. These measurements represent total extractable acidity, i.e., hydrogen ion concentration a t sufficient dilution of the sample, rather than the actual acidity of airborne particles. In contrast, models based upon chemical equilibrium theory can be used to estimate the hydrogen ion concentration and water content of atmospheric particles from the observed concentration of major solutes (sulfate, nitrate, chloride, ammonium, and sodium). Using about 100 data points from an intensive measurement study in Uniontown, Pennsylvania during 1990, we examined the nature and the causes of the deviations between measured and estimated hydrogen ion concentrations. We found that the measured hydrogen ion concentrations were substantially higher than the estimated concentrations because dilution of the sample during extraction promoted dissociation of bisulfate ions and hence increased the hydrogen ion concentration. Because total extractable acidity as measured by the pH method only partially characterizes particles, our results demonstrate that models should be used to augment and improve the information derived from these measurements, particularly to estimate the actual acidity of airborne particles.

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Section: Introductionmentioning

confidence: 99%

Coupling Thermodynamic Theory with Measurements to Characterize Acidity of Atmospheric Particles

Saxena

Mueller

Kim

et al. 1993

Aerosol Science and Technology

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“…It may be mentioned here that in our earlier studies of Tb and Ho [18] and in the present case of thallium, there is in general good agreement along all branches except in the transverse acoustic branches along the direction [Olio]. It may be mentioned here that in our analysis the dispersion relations are mainly governed by central forces with a small contribution due to electrons limited by the harmonic approximation.…”

Section: Conclusion and Discussionmentioning

confidence: 49%

“…leads to the calculation of D, as already reported by the present authors in an earlier communication [18]. The force constants pj are defined as the second space derivatives,…”

Section: Parameter Evaluationmentioning

confidence: 98%

“…The dynamical matrix for electron-ion interaction D&(q) is calculated on the lines proposed in our earlier communication [18] using the modified Krebs scheme [16] employing the screening factor given by Vashista and Singhwi [19]. The suitable value of m modifies the depth of the potential [20] …”

Section: Zon-ion and Electron-ion Interactionmentioning

confidence: 99%

“…The calculated values of ion-ion force constants are substituted to compute the dynamical matrix for ion-ion interaction Dip(q) in the usual manner. The dynamical matrix for electron-ion interaction D&(q) is calculated on the lines proposed in our earlier communication [18] using the modified Krebs scheme [16] employing the screening factor given by Vashista and Singhwi [19]. The suitable value of m modifies the depth of the potential [20]…”

Section: Zon-ion and Electron-ion Interactionmentioning

confidence: 99%

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Potential Based Phonon Dispersion in Thallium

Saxena¹,

Rathore

1994

Physica Status Solidi (b)

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A realistic theoretical study to predict the phonon dispersion and binding energy of h.c.p. metals is developed. The total interaction among the constituents is divided into two parts, ion-ion part and electron-ion-electron part. The former part is expressed by the modified form of the generalized exponential potential (MGEP) developed by the present group. To highlight the characteristic features of the MGEP other similar potentials are compared. The latter part is represented by the modified Krebs scheme, involving the dielectric screening due to Vashista and Singhwi. These interactions are blended to develop a model for predicting the binding energy and the phonon dispersion of the scantily studied h.c.p. metals like thallium.

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