“…This equation takes into account all the polymers, every type of motion, and also all the cooling rates (all the data are available in Tables S-1 and S-2, Supporting Information): Such a relation was reported by Bartenev for different degrees of tacticity in the PMMA chain . Similar relationships between T 0 and T g can also be inferred from experimental data reported in the literature. ,, 2 Average T 0 s of studied polymers, reported with respect to simulated T g s at three cooling rates: 1.2 × 10 13 (▪), 2.4 × 10 12 (·), and 1.2 × 10 12 K/min (▴). Linear fit (eq 7) is also displayed.…”
Section: Results and Analysissupporting
confidence: 84%
“…49 Similar relationships between T 0 and T g can also be inferred from experimental data reported in the literature. 25,50,51 Using AS, the physical meaning of T 0 is accurately described. Moreover, a relationship between this temperature and T g is established.…”
Section: Results and Analysismentioning
confidence: 99%
“…52 For a sake of clarity, R will be omitted in the remaining of the text. For Solunov, 51 it is related to the activation energy per basic molecular specie (BMS); the apparent activation energy is equivalent to z 2 B, where z is the size of a CRR, z ) T/(T -T 0 ). Average activation energy was also used by some authors.…”
Section: Study Of the Effective Activation Energy Bmentioning
Many efforts in experimental and theory are dedicated to study the puzzling problem of glass transition. With the involvement of molecular modeling, a fresh look at this intricate phenomenon was taken. Nevertheless, the difficulty to accurately probe all the domains of times necessary to describe this process still remains. Moreover, using a full-atomic description to account for equilibrated systems has been called into question. However, such depiction offers a special regard since it could deal with small modifications in the polymer architecture. From an appropriate selection of phase space, it was shown that atomistic simulation was able to link simulated and experimental glass transition temperatures of vinylic polymers using the established Williams-Landel-Ferry equation. Consequently, atomic insight into the glass transition phenomenon can be gained from a comparison of simulated data with actual models and experimental data. In this paper, the different parameters intervening in the Vogel-Fulcher-Tamman equation stemming from the local dynamics of a series of vinylic polymers are thus compared. Their behavior yields an atomistic viewpoint of the Adam-Gibbs model.
“…This equation takes into account all the polymers, every type of motion, and also all the cooling rates (all the data are available in Tables S-1 and S-2, Supporting Information): Such a relation was reported by Bartenev for different degrees of tacticity in the PMMA chain . Similar relationships between T 0 and T g can also be inferred from experimental data reported in the literature. ,, 2 Average T 0 s of studied polymers, reported with respect to simulated T g s at three cooling rates: 1.2 × 10 13 (▪), 2.4 × 10 12 (·), and 1.2 × 10 12 K/min (▴). Linear fit (eq 7) is also displayed.…”
Section: Results and Analysissupporting
confidence: 84%
“…49 Similar relationships between T 0 and T g can also be inferred from experimental data reported in the literature. 25,50,51 Using AS, the physical meaning of T 0 is accurately described. Moreover, a relationship between this temperature and T g is established.…”
Section: Results and Analysismentioning
confidence: 99%
“…52 For a sake of clarity, R will be omitted in the remaining of the text. For Solunov, 51 it is related to the activation energy per basic molecular specie (BMS); the apparent activation energy is equivalent to z 2 B, where z is the size of a CRR, z ) T/(T -T 0 ). Average activation energy was also used by some authors.…”
Section: Study Of the Effective Activation Energy Bmentioning
Many efforts in experimental and theory are dedicated to study the puzzling problem of glass transition. With the involvement of molecular modeling, a fresh look at this intricate phenomenon was taken. Nevertheless, the difficulty to accurately probe all the domains of times necessary to describe this process still remains. Moreover, using a full-atomic description to account for equilibrated systems has been called into question. However, such depiction offers a special regard since it could deal with small modifications in the polymer architecture. From an appropriate selection of phase space, it was shown that atomistic simulation was able to link simulated and experimental glass transition temperatures of vinylic polymers using the established Williams-Landel-Ferry equation. Consequently, atomic insight into the glass transition phenomenon can be gained from a comparison of simulated data with actual models and experimental data. In this paper, the different parameters intervening in the Vogel-Fulcher-Tamman equation stemming from the local dynamics of a series of vinylic polymers are thus compared. Their behavior yields an atomistic viewpoint of the Adam-Gibbs model.
“…In terms of the concept of Adam-Gibbs theory [14], the increase of the viscosity is related to the increase of the Cooperatively Rearranging Region (CRR). In addition, it is reported that the CRR increases with the increase in the fragility [24][25][26]. However, concerning the number of particles involved in CRR, there seem to be no convincing theories at the present [27][28][29].…”
Section: Viscous Flow and Cooperatively Rearranging Regionsmentioning
“…(2) was derived originally in the Adam-Gibbs theory, where the pre-exponential factor A is the order of the period of atomic vibrations which would remain the only relevant characteristic times in the high temperature limit. If the period of atomic vibrations is estimated as in the order of 10 − 13 s, it would be ln(A/min) ≈ −25 [26,60,61]. All the values of lnA shown in Fig.…”
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.
