Прогнозирование критических свойств фреонов с использованием новых инвариантов взвешенных графов
DOI:
https://doi.org/10.15587/2313-8416.2014.27967Słowa kluczowe:
фреон, критические свойства, критическая температура, критическое давление, критический объем, молекулярные графы, инварианты графов, взвешенные графы, индекс паросочетанийAbstrakt
Предлагается новый подход в задачах «структура – свойство» с использованием инвариантов полностью взвешенных графов для количественного описания критических свойств фреонов. Сформулирован общий принцип построения топологических инвариантов полностью взвешенных графов и предложены два новых инварианта, примененных для расчета критических свойств фреонов метанового, этанового и пропанового рядов без привлечения экспериментальных данных и закономерностейBibliografia
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