Substituting steel for a polymer in a jar for ball milling does matter

Losev, Evgeniy A.; Arkhipov, Sergey G.; Kolybalov, D. S.; Mineev, Alexey; Ogienko, A. G.; Boldyreva, Elena V.; Болдырев, В. В.

doi:10.1039/d1ce01703a

Cited by 14 publications

(24 citation statements)

References 21 publications

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“…6,7 In this respect, mechanochemistry offers a new dimension for preparing solid forms that are difficult -or even impossible -to obtain through solution chemistry. 6 Many factors can influence the outcome of a mechanochemical transformation, including the material of the milling jar, 8,9 the presence of additives (liquid or solid), 7,10 and the type or intensity of mechanical treatment. [11][12][13][14] While reaction temperature has been routinely applied to control solution chemistry, its use as a control parameter for mechanochemical transformations remains less common, [15][16][17][18][19][20] and poorly understood.…”

Section: Introductionmentioning

confidence: 99%

Controlling polymorphism in molecular cocrystals by variable temperature ball milling

et al. 2023

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Section: Introductionmentioning

confidence: 99%

Controlling polymorphism in molecular cocrystals by variable temperature ball milling

et al. 2023

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“…There, the hemihydrate RT reaction appeared to proceed faster (starting within 10 min) than the dihydrate one (starting within 32 min). The reasons for these differences are still being elucidated but could potentially be ascribed to the differences in milling vessels used . In Raman monitoring, aluminum vessels with a sapphire window were used, providing higher impact energy, whereas plastic PMMA vessels were used at the synchrotron, resulting in milder milling conditions.…”

Section: Resultsmentioning

confidence: 99%

“…The reasons for these differences are still being elucidated but could potentially be ascribed to the differences in milling vessels used. 55 In Raman monitoring, aluminum vessels with a sapphire window were used, providing higher impact energy, whereas plastic PMMA vessels were used at the synchrotron, resulting in milder milling conditions. Ex situ FTIR data of the products of MM are consistent with PXRD and Raman data.…”

Section: (Figures S7−s9)mentioning

confidence: 99%

Scale-Up of Agrochemical Urea-Gypsum Cocrystal Synthesis Using Thermally Controlled Mechanochemistry

Brekalo

Martinez

Karadeniz

et al. 2022

ACS Sustainable Chem. Eng.

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Atom-and energy-efficient synthesis of a crystalline calcium urea sulfate ([Ca(urea) 4 ]SO 4 ) cocrystal was explored using thermally controlled mechanochemical methods with calcium sulfate compounds containing various amounts of crystalline water (CaSO 4 •xH 2 O, x = 0, 0.5, 2). Small-scale (200 mg) experiments in a shaker mill were first performed, and the progress was monitored by in situ Raman spectroscopy and in situ synchrotron powder X-ray diffraction. Time-resolved spectroscopy data revealed that the presence of water in the reagents' crystalline structure was essential to the reaction and largely determined the observed reactivity of different calcium sulfate forms. Reactions at elevated temperatures were shown to proceed significantly faster on all synthetic scales, while changes in rheology caused by adding external water hindered the reaction progress. The average yield of a 21 mm horizontal twin-screw extruder experiment was ∼5.5 g/ min of extrusion (∼330 g/h). Energy consumption during the milling reactions required to achieve complete conversion ranged from 7.6 W h/g at 70 °C for a mixer mill to 3.0 W h/g at a 50 g scale and 4.0 W h/g at a 100 g scale for a planetary mill or 4.0 W h/g at both 70 °C and RT for a twin-screw extruder, showing a significant improvement in energy efficiency at large-scale production. The obtained crystalline cocrystal exhibited a significantly lower solubility in aqueous solutions, nearly 20 times lower per molar basis compared to that of urea. Furthermore, reactive nitrogen emissions in air at 90% relative humidity, measured as NH 3 , showed slow and nearly linear nitrogen loss for the cocrystal over 90 days, while the same level of emissions was achieved with urea after 1−2 weeks, showing the potential of this cocrystal material as a large-scale nitrogen-efficient fertilizer.

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“…Im Gegensatz zu Laborexperimenten, die üblicherweise in Stahlgefäßen durchgeführt werden, kann das Polymer das Ergebnis der mechanochemischen Reaktionen verändern. [21,49,50] Außerdem sind Polymere zu weich für die mechanochemische Behandlung harter anorganischer Phasen, so dass alternative Gefäße erforderlich sind, die diese Probleme umgehen. Über Fortschritte in dieser Richtung berichteten kürzlich Rathmann et al, [51] die Mahlbecher aus rostfreiem Stahl mit röntgentransparenten Polymerfenstern konstruierten, die dem Mahlen harter anorganischer Feststoffe während der TRIS-XRD-Analyse standhalten.…”

Section: Methoden Für Die Direkte Analyseunclassified

Zeitaufgelöste In‐Situ‐Untersuchungen von mechanochemischen Reaktionen

Michalchuk

Emmerling

2022

Angewandte Chemie

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Mechanochemische Umwandlungen bieten umweltfreundliche Synthesewege und verbessern gleichzeitig die Geschwindigkeit und Selektivität von Reaktionen. Mechanochemie ermöglicht es, die Art und Weise, wie die Chemie in der Wissenschaft und in der Industrie betrieben wird, zu verändern, wird aber durch das mangelnde mechanistische Verständnis stark behindert. Die kontinuierliche Entwicklung und Anwendung von zeitaufgelösten In‐situ‐Methoden (time‐resolved in situ TRIS) zur Überwachung mechanochemischer Reaktionen bietet eine neue Dimension zur Erforschung dieser faszinierenden Umwandlungen. Wir diskutieren hier die jüngsten Trends in der Methodenentwicklung, die die Grenzen der mechanochemischen Forschung erweitert haben. Anschließend werden neue Merkmale mechanochemischer Reaktionen, die mit TRIS‐Techniken gewonnen wurden, erörtert, und es wird beleuchtet, wie verschiedene TRIS‐Ansätze verwendet wurden. Der Schwerpunkt liegt dabei auf der Stärke der Kombination komplementärer Techniken. Abschließend wird das Potenzial von TRIS‐Methoden in der mechanochemischen Forschung für die Etablierung eines neuen, umweltfreundlichen Paradigmas in den chemischen Wissenschaften dargestellt.

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Substituting steel for a polymer in a jar for ball milling does matter

Abstract: Usually, in situ diffraction studies of mechanochemical transformations use plastic milling jars in place of steel. This is done to reduce the absorbtion of radiation by the walls. Using as...

Cited by 14 publications

References 21 publications

Controlling polymorphism in molecular cocrystals by variable temperature ball milling

Controlling polymorphism in molecular cocrystals by variable temperature ball milling

Scale-Up of Agrochemical Urea-Gypsum Cocrystal Synthesis Using Thermally Controlled Mechanochemistry

Zeitaufgelöste In‐Situ‐Untersuchungen von mechanochemischen Reaktionen

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