Simulation of the Molecular Dynamics of Rod-Like Molecules in Semidiluted Solution: A Dielectric Relaxation Study
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Abstract:
The dielectric relaxation of a model solution of polydisperse rods is studied numerically, using a modified Doi-Edwards model. A new model of the dielectric relaxation in the biphasic range of concentration is proposed.Keywords:
Cole–Cole equation
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To describe non-Debye relaxation phenomena observed in dielectric materials, the Cole–Cole (CC) relaxation model in the frequency domain and the Kohlrausch–Williams–Watts (KWW) relaxation model in the time domain were introduced in the physics of dielectrics. In this paper, we propose a new relaxation model with two parameters besides a relaxation time by expressing the relaxation function in the time domain in terms of the Mittag–Leffler functions. The proposed model represents a group of non-Debye relaxation phenomena and shows a transition between the CC and the KWW models. The relaxation properties described by the new model are analyzed, including the response function, the normalized complex dielectric permittivity, dielectric storage and loss factors as well as the relaxation frequency and time spectral functions. The presented relaxation function has a concise form and is expected to be applied to more complex relaxation phenomena.
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Abstract Measurements of the dielectric properties of AgTISe2 in the solid and liquid states were carried out in a wide range of frequencies (10−2 to 106 Hz) at different temperatures (150°C to 600°C). The material displayed dielectric dispersion and two loss peaks were observed. The curves: log ε' vs. temperature and tan δ, ε' vs. frequency gave a direct evidence of the existence of a Debyetype relaxation having a wide distribution of relaxation times. Cole-Cole diagrams have been used to determine the distribution parameter (α) and the molecular relaxation time (τ), and Eyring's relaxation rate equations have been used to determine the free energy of activation.
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