Компьютерный расчет равновесного состава многокомпонентного раствора
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Дата
2015
ORCID
DOI
Науковий ступінь
Рівень дисертації
Шифр та назва спеціальності
Рада захисту
Установа захисту
Науковий керівник
Члени комітету
Видавець
НТУ "ХПИ"
Анотація
Для компьютерных расчетов состава многокомпонентных систем, в частности, электролитных растворов, предложена авторская программа. Незначительные ограничения относительно характера взаимодействий в системе позволяют существенно упростить алгоритм поиска решения, по сравнению с методом Бринкли, без потери точности. Простота программной реализации позволяет использовать программу не только для решения технологических задач, но и для работы со студентами, а также как основу для написания более обобщенной программы.
For computer calculations of multicomponent systems composition, including electrolyte solutions, provided an own program. Minor restrictions on the nature of interactions in system can significantly simplify algorithm for finding a solution without loss of accuracy. Program algorithm description contain only tree positions. Checking the program operation was carried out in two ways. First one is comparing program results with the exact calculation for simplest systems. For such purposes we used a multibasic acid (H₃PO₄) solution. In this case coincidence for obtained results is perfect. The second way is comparison of calculated and experimental values for buffer solution pH. In buffer systems KH₂PO₄ + Na₂HPO₄ higher calculation error was about 1 %. According to results of comparison it can be concluded that program allows to obtain particle concentrations with acceptable accuracy for most technological problems. Program implementation simplicity allows not only to solve technological problems, but also to work with students and as a basis for writing more generalized application.
For computer calculations of multicomponent systems composition, including electrolyte solutions, provided an own program. Minor restrictions on the nature of interactions in system can significantly simplify algorithm for finding a solution without loss of accuracy. Program algorithm description contain only tree positions. Checking the program operation was carried out in two ways. First one is comparing program results with the exact calculation for simplest systems. For such purposes we used a multibasic acid (H₃PO₄) solution. In this case coincidence for obtained results is perfect. The second way is comparison of calculated and experimental values for buffer solution pH. In buffer systems KH₂PO₄ + Na₂HPO₄ higher calculation error was about 1 %. According to results of comparison it can be concluded that program allows to obtain particle concentrations with acceptable accuracy for most technological problems. Program implementation simplicity allows not only to solve technological problems, but also to work with students and as a basis for writing more generalized application.
Опис
Ключові слова
реализация программная, алгоритм, раствор электролитный, program realization, algorithm, electrolyte solution, equilibrium composition
Бібліографічний опис
Компьютерный расчет равновесного состава многокомпонентного раствора / М. Н. Волобуев [и др.] // Вестник Нац. техн. ун-та "ХПИ" : сб. науч. тр. Темат. вып. : Химия, химическая технология и экология. – Харьков : НТУ "ХПИ". – 2015. – № 30 (1139). – С. 18-21.