Моделирование межфазной адгезии между геополимерным вяжущим и минеральными заполнителями методом Монте-Карло
Аннотация
В последнее время растет интерес к использованию силикоалюмофосфатных и щелочных алюмосиликатных геополимеров в качестве экологической альтернативы традиционными портландцементными вяжущими в строительном индустрии. Передача напряжения от матрицы к заполнителю в бетонах на основе геополимерных вяжущих осуществляется через межфазную границу. Адгезия геополимерной матрицей и минерального заполнителя определяется преимущественно химической природой компонентов границы раздела «заполнитель-геополимер». Однако до настоящего времени этот аспект остается малоизученным. Для заполнения данного пробела, в работе моделированием методом Монте-Карло изучено адсорбционное поведение и механизм межфазного взаимодействия алюмосиликатного олигомера кольцевого типа, формирующего структуру геополимерного геля, с минеральными заполнителями.
Установлены равновесные низкоэнергетические конфигурации структуры адсорбированного олигомера на поверхностях кварца, кальцита, альбита и микроклина, а также рассчитаны энергии адсорбции
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Литература
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