The Effect of Ball Mass on the Mechanochemical Transformation of a Single-Component Organic System: Anhydrous Caffeine | Sciact - CRIS-система Института катализа

The Effect of Ball Mass on the Mechanochemical Transformation of a Single-Component Organic System: Anhydrous Caffeine Научная публикация

Журнал

Journal of Materials Science
ISSN: 0022-2461 , E-ISSN: 1573-4803

Вых. Данные

Год: 2018, Том: 53, Номер: 19, Страницы: 13380-13389 Страниц : 10 DOI: 10.1007/s10853-018-2324-2

Ключевые слова

Caffeine Milling (machining) Rate constants

Авторы

Michalchuk Adam A.L. ^1,2,3 , Tumanov Ivan A. ^1,4 , Boldyreva Elena V. ^1,4

Организации

1	Novosibirsk State University, Novosibirsk, Russian Federation
2	EaStCHEM School of Chemistry, University of Edinburgh, Edinburgh, UK
3	EPSRC Centre for Continuous Manufacturing and Crystallisation (CMAC), Edinburgh, UK
4	Institute of Solid State Chemistry and Mechanochemistry SB RAS, Novosibirsk, Russian Federation

Информация о финансировании (5)

1	Министерство образования и науки Российской Федерации	Проект 5-100
2	Engineering and Physical Sciences Research Council	CMAC 1/1033459/1
3	Российский фонд фундаментальных исследований	16-33-60086 (АААА-А15-115121840103-1)
4	Федеральное агентство научных организаций России	0301-2018-0007
5	The University of Edinburgh

Mechanochemical methodologies, particularly ball milling, have become commonplace in many laboratories. In the present work, we examine the effects of milling ball mass on the polymorphic conversion of anhydrous caffeine. By investigating a single-phase system, the rate-limiting step of particle–particle contact formation is eliminated. It is found that larger milling balls lead to considerably faster conversion rates. Modelling of the transformation rate suggests that a single, time-independent rate constant is insufficient to describe the transformation. Instead, a convolution of at least two rate-determining processes is required to correctly describe the transformation. This suggests that the early stages of the transformation are governed only by the number of particle–ball collisions. As the reaction proceeds, these collisions less frequently involve reactant, and the rate becomes limited by mass transport, or mixing, even in originally single-phase systems, which become multi-phase as the product is formed. Larger milling balls are less hindered by poorly mixed material. This likely results from a combination of higher impact energies and higher surface areas associated with the larger milling balls. Such insight is important for the selective and targeted design of mechanochemical processes.

Michalchuk A.A.L. , Tumanov I.A. , Boldyreva E.V.
The Effect of Ball Mass on the Mechanochemical Transformation of a Single-Component Organic System: Anhydrous Caffeine

Journal of Materials Science. 2018. V.53. N19. P.13380-13389. DOI: 10.1007/s10853-018-2324-2 WOS Scopus РИНЦ CAPlus OpenAlex

Полный текст от издателя

Поступила в редакцию:	28 февр. 2018 г.
Принята к публикации:	11 апр. 2018 г.
Опубликована online:	20 апр. 2018 г.
Опубликована в печати:	1 окт. 2018 г.

Web of science:	WOS:000440047900006
Scopus:	2-s2.0-85045746777
РИНЦ:	38609564
Chemical Abstracts:	2018:827864
OpenAlex:	W2802036135

БД	Цитирований
Web of science	37
Scopus	39
OpenAlex	40