temperature-dependent dispersion coefficients of alkali metals using equation of state

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چکیده

in this study, a temperature-dependent of the dispersion coefficients is calculated from equation state.the lennard-jones lj (12-6-3) effective pair potential function and simple thermodynamic argumentwith the input pvt data of liquid metals are used to calculate the dispersion coefficients. the dispersioncoefficients ( , , ) 3 6 12 c c c are found to be a linear function of 1/t1+α , where t is the temperature and αis a constant and has different values for different dispersion coefficients. the law of corresponding statesbased on the reduced dispersion coefficients and reduced temperature is used to verify the validity of a lj(12-6-3) potential function in describing the dispersion coefficients. by applying the dispersion coefficientsof alkali metals and potential function plots, the values of molecular parameters (å , ó , and, m r ) have beenobtained. the lj (12-6-3) potential function conclusively predicts the best dispersion coefficients of thethree alkali metals (k, rb, and cs).

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عنوان ژورنال:
physical chemistry and electrochemistry

جلد ۱، شماره ۳، صفحات ۱۶۳-۱۶۹

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