Poly(3-methylpyrrole): Vibrational dynamics, phonon dispersion and heat capacity

Ali, Parvej; Srivastava, Seema; Ansari, Saif-ul-Islam; Gupta, V. D.

doi:10.1016/j.saa.2013.03.043

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Fig 2: Variation Of Heat Capacity With Temperature Of Pvb1

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Cited by 3 publications

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“…The Urey-Bradley force constants were initially transferred from the earlier work on molecule having similar groups and were further refined by using the least square method as described earlier [18].The final set of force constant for PVB is given in Table 1. Except for a couple of frequencies, most of them are fitted with in better than 1%.…”

Section: Fig 2: Variation Of Heat Capacity With Temperature Of Pvbmentioning

confidence: 99%

Vibrational Spectroscopic and Thermodynamic Investigation of Poly (vinyl butyral)

Ansari¹,

ParvejAli²,

Srivastava³

et al. 2016

Orient. J. Chem

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A detailed study was performed to investigate the normal modes of vibration and their dispersions in poly (vinyl butyral) by using Urey-Bradley force field and Wilson's GF matrix method as modified by Higgs. It provides detailed interpretation of FTIR. Characteristic feature of dispersion curves such as regions of high density-of-states, repulsion and character mixing of dispersion modes are discussed. Predictive values of heat capacity as a function of temperature between 0-350 K have been evaluated.

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Section: Fig 2: Variation Of Heat Capacity With Temperature Of Pvbmentioning

confidence: 99%