Self-diffusion in liquid metals

Chauhan, Amit Singh; Ravi, R.; Chhabra, R.P.

doi:10.1016/s0301-0104(99)00345-6

Cited by 46 publications

(32 citation statements)

References 28 publications

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“…67 Although Hiss and Cussler 58 have been able to rationalize the exponent of 2/3 on the basis of Eyring's absolute rate theory and Bagchi and Bhattacharyya 7,19 have indicated in their MCT studies that decoupling of the solute motion from the structural relaxation of the solvent could lead to fractional viscosity dependence, nonetheless, a quantitative theory of the FSE relation is still not yet available. Recently, however, there has been a great deal of interest [68][69][70][71][72][73][74][75][76] in the use of the FSE relation for the study of diffusion. One of our objectives in the present study is to critically test the applicability of the FSE relation against precise diffusion data.…”

Section: B Solvent Dependencementioning

confidence: 99%

Diffusion of aromatic compounds in nonaqueous solvents: A study of solute, solvent, and temperature dependences

Chan

Tang

2013

The Journal of Chemical Physics

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Tracer diffusivities (limiting mutual diffusion coefficients) of nonassociated aromatic compounds in n-hexane and cyclohexane have been measured at 298.2 K by Taylor's dispersion method. These new data, together with other diffusivities of nonassociated pseudoplanar solutes reported in the literature, are used to determine the separate effects of solute and solvent on tracer diffusion. The data show that for a given pseudoplanar solute diffusing in different solvents at 298.2 K, the tracer diffusivity is dependent not only on the fractional viscosity of the solvent but also on a function of the solvent's molar density, molecular mass, and free volume fraction. For different pseudoplanar aromatic solutes diffusing in a particular solvent at a constant temperature, there is a linear relationship between the reciprocal of the tracer diffusivity and the molecular volume of the solutes. The results are discussed in respect to relevant theories and experimental studies in the literature. An idealized relation, developed on the basis of the Einstein equation by incorporating the newly found solute and solvent dependences, is capable of describing a total of 176 diffusivities of nonassociated pseudoplanar solutes in various solvents at different temperatures to within an average error of ±2.8%. © 2013 AIP Publishing LLC. [http://dx

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Section: B Solvent Dependencementioning

confidence: 99%

Diffusion of aromatic compounds in nonaqueous solvents: A study of solute, solvent, and temperature dependences

Chan

Tang

2013

The Journal of Chemical Physics

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“…self-, tracer and chemical diffusivities in both the liquid and Fcc_A1 phases are compared with the reported experimental data. Figure 2(a) presents the presently calculated self-diffusivities of Al, Cu, Fe, Mn, and Zn in the liquid state along with the experimental data [38][39][40][41][42][43] and theoretically predicted data [44][45][46][47][48][49][50][51][52][53][54][55]. In Fig.…”

Section: Verification and Validation Of The Databasementioning

confidence: 99%

“…(a) (b) Figure 2 (a) Calculated self-diffusivities of Al, Cu, Fe, Mn and Zn in the liquid state compared with experimental data [38][39][40][41][42][43] and theoretical predicted data [44][45][46][47][48][49][50][51][52][53][54][55]; (b) calculated tracer diffusivity of Cu in Al-Cu, Ag-Cu melts, and tracer diffusivity of Ni in Al-Ni and Ni-Si melts along with experimental data [56][57][58][59][60]. A constant, M, has been added to separate the data.…”

Section: Diffusion Foundations Vol 15mentioning

confidence: 99%

Kinetic Simulations of Diffusion-Controlled Phase Transformations in Cu-Based Alloys

Tang

Chen

Engström

2018

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Abstract. In this chapter, we present kinetic simulations of diffusion-controlled phase transformations in Cu-based alloys by using our most recently developed atomic mobility database (MOBCU) for copper alloys. This database consists of 29 elements including most common ones for industrial copper alloys. It contains descriptions for both the liquid and Fcc_A1 phases. The database was developed through a hybrid CALPHAD approach based on experiments, first-principles calculations, and empirical rules. We demonstrate that by coupling the created mobility database with the existing compatible thermodynamic database (TCCU), all kinds of diffusivities in both solid solution and liquid phases in Cu-based alloys can be readily calculated. Furthermore, we have applied the combination of MOBCU and TCCU to simulate diffusion-controlled phenomena, such as solidification, nucleation, growth, and coarsening of precipitates by using the kinetic modules (DICTRA and TC-PRISMA) in the Thermo-Calc software package. Many examples of simulations for different alloys are shown and compared with experimental observations. The remarkable agreements between calculation and experimental results suggest that the atomic mobilities for Cu-based alloys have been satisfactorily described. This newly developed mobility database is expected to be continuously improved and extended in future and will provide fundamental kinetic data for computer-aided design of copper base alloys.

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“…It has been employed in evaluating the diffusivities of several liquid metals. [17] A recent investigation [18] demonstrated that the prediction of the hydrodynamic model based SutherlandEinstein equation is more satisfactory with available experimental data than that of the hard sphere model based Enskog expression.…”

Section: Derivation Of the New Equationmentioning

confidence: 99%

A New Equation for Temperature Dependent Solute Impurity Diffusivity in Liquid Metals

Yang

Wang

et al. 2010

J. Phase Equilib. Diffus.

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An equation to predict the temperature dependence of solute impurity diffusivity in liquid metals has been derived by combining the Sutherland-Einstein formula with Kaptay's unified equation on the dynamic viscosity of liquid metals. It has been demonstrated that consideration of the temperature dependence of the atomic radius of the diffusing species results in better agreement of the predicted diffusivities with the experimental data compared to when the temperature independent Goldschmidt atomic radius is used. Due to the simple-parameter nature of the equation, it could be very useful in predicting the solute impurity diffusivity in liquid metal when experimental data are scarce.

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Self-diffusion in liquid metals

Cited by 46 publications

References 28 publications

Diffusion of aromatic compounds in nonaqueous solvents: A study of solute, solvent, and temperature dependences

Diffusion of aromatic compounds in nonaqueous solvents: A study of solute, solvent, and temperature dependences

Kinetic Simulations of Diffusion-Controlled Phase Transformations in Cu-Based Alloys

A New Equation for Temperature Dependent Solute Impurity Diffusivity in Liquid Metals

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