Исследование термических превращений и реакционной способности полиакрилонитрила в процессах термической обработки

Для оптимизации процессов получения графеновых нанопластин на основе полиакрилонитрила (ПАН) необходимо изучение термических превращений и реакционной способности ПАН в процессе термической обработки. В работе представлены результаты исследования термических свойств ПАН и его взаимодействия с растворителями. С использованием методов УФ- и ИК-спектроскопии, дифференциальной сканирующей калориметрии, термогравиметрического анализа и молекулярного моделирования установлено, что нитрильная группа CN — ключевой реакционный центр, влияющий на структуру ПАН. Расчеты показали снижение полной энергии системы при термической обработке с 14,87 до 12,51 Дж/г. При взаимодействии ПАН с диметилацетамидом (ДМАА) и диметилформамидом (ДМФА) полная энергия, рассчитанная на 1 атом, составила 6,02 и 5,64 Дж/г. Выявлено также, что температура удаления растворителя из пленки ПАН/ДМФА при содержании ПАН 0,2 % масс. — 141,56, а температура карбонизации — 300 °C. Максимальная реакционная способность наблюдается у атомов водорода, соединенных с третичными атомами углерода и находящихся вблизи CN-групп. Комбинация применяемых экспериментальных методов анализа и молекулярного моделирования позволила установить ключевые закономерности термических превращений ПАН и его взаимодействия с растворителями. Полученные результаты могут быть использованы при совершенствовании методов получения графеноподобных материалов.

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