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Polymer Crystallization: Universal Macroscopic Description via the Autocatalytic Hoffman-Lauritzen Approach
Year: 2025
Type of publication: článek v odborném periodiku
Name of source: ACS Omega
Publisher name: American Chemical Society
Place: Washington
Page from-to: 16602-16619
Titles:
Language Name Abstract Keywords
cze Krystalizace polymerů: Univerzální makroskopický popis pomocí autokatalytického Hoffman-Lauritzenova modelu V tomto příspěvku byl představen univerzální exponenciální autokatalytický model n-tého řádu spárovaný s Hoffman-Lauritzenovou nukleačně růstovou teorií pro popis krystalizace polymerů místo klasického Avramiho konceptu. Na simulovaných datech bylo ukázáno, že Avramiho kinetika vykazuje asymetrie pro daná kinetická data a je často nekompatibilní s experimentálním sledováním. Naopak MCHL model je vysoce flexibilní a dokáže lépe popsat reálná krystalizační data pro polymery. Zároveň byl ukázán unikátní vztah mezi Avramiho a MCHL kinetikou. krystalizace polymerů; DSC; kinetika; Avrami; autokatalytický model; Hoffman-Lauritzen
eng Polymer Crystallization: Universal Macroscopic Description via the Autocatalytic Hoffman-Lauritzen Approach For the description of the crystallization in polymers, the exponential autocatalytic N th-order model, paired with the Hoffman-Lauritzen nucleation-growth theory (the conjunction denoted as the MCHL model), was introduced as an alternative to the classical Avrami concept. It was demonstrated, employing theoretical simulations, that the Avrami-based kinetics exhibits a strictly defined interval of asymmetries for the derivative kinetic data (conformable to the differential scanning calorimetry crystallization peaks), often incompatible with the experimental observations. On the other hand, the MCHL model is highly flexible, reproducing and largely extending the range of the Avrami asymmetries, thus effectively covering all possible single-process manifestations of the polymer crystallization mechanisms. The MCHL model was further proven to comply with the t 0.5-based evaluation of the Hoffman-Lauritzen nucleation constant, reducing the number of variables in the nonlinear optimization-based enumeration of the model's parameters. A unique relationship between the Avrami and MCHL kinetic was found. extended-chain crystals; nonisothermal crystallization; poly(ethylene oxide); nucleation theory; unified theory; growth faces; phase-change; kinetics; model; melt

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