Changes in Intermolecular Interaction Forces Inducing Glass Transition Determined by Three-Dimensional Aggregated Structural Models of Coal
نویسندگان
چکیده
The three-dimensional aggregated structural models of two types coals, A and B, were constructed. It is found that the density Tg qualitatively consistent with values obtained experimentally. coals B calculated using model structures are 315°C 328°C, respectively. effect temperature on distribution cohesive energy was quantitatively elucidated models. (CED) coal greater than at temperatures Tg, CED comparable to B. This implies molecules more strongly in low due hydrogen bonding, intermolecular interaction considered have gradually relaxed above Tg. concluded differences molecular led van der Waals electric different temperatures. changed from attraction repulsion about 450°C 285°C Electric remained an attractive force as increased. mechanism 13°C difference each can be explained by change distribution. Therefore, this used understand thermal behavior molecules, such thermoplasticity.
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15 صفحه اولIntermolecular forces.
The nature of molecular interactions is examined. Intermolecular forces are divided into long-range and short-range components; the former operate at distances where the effects of electron exchange are negligible and decrease as an inverse power of the separation. The long-range interactions may be subdividied into electrostatic, induction and dispersion contributions, where the electrostatic ...
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ژورنال
عنوان ژورنال: Isij International
سال: 2023
ISSN: ['0915-1559', '1347-5460']
DOI: https://doi.org/10.2355/isijinternational.isijint-2022-547