Application of ultrasound in crystallization has showed improved process characteristics. Although several attempts have been made in the past to study the sono-crystallization kinetics, only nucleation and crystal growth were considered, neglecting breakage and agglomeration of crystals. In this study, an attempt is made for the estimation of the kinetic parameters of all the phenomena occurring simultaneously during sono-crystallization. For this, both conventional and ultrasonic crystallization of KSO-water system has been reported. Sono-crystallization experiments were carried out using ultrasonic horn operating at 20 kHz frequency. Reduction in the induction time, reduction in metastable zone width (MSZW), narrowing of crystal size distribution (CSD) were the key observations of sono-crystallization experiments. Population balance equations (PBE) were used to model the crystallization system and the various kinetic parameters have been estimated. The kinetic parameters obtained for conventional crystallization and sonocrystallization were compared. The estimated parameters suggest an increase in nucleation and breakage rate during sono-crystallization. Growth rates were observed to be of the same order of magnitude for both conventional and sonocrystallization. While agglomeration during sono-crystallization was found to be negligible.
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http://dx.doi.org/10.1016/j.ultsonch.2016.09.018 | DOI Listing |
Nano Lett
January 2025
Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, United States.
Rapid validation of newly predicted materials through autonomous synthesis requires real-time adaptive control methods that exploit physics knowledge, a capability that is lacking in most systems. Here, we demonstrate an approach to enable real-time control of thin film synthesis by combining optical diagnostics with a Bayesian state estimation method. We developed a physical model for film growth and applied the direct filter (DF) method for real-time estimation of nucleation and growth rates during pulsed laser deposition (PLD).
View Article and Find Full Text PDFChemistryOpen
January 2025
Dipartimento di Chimica e Chimica Industriale, Università degli Studi di Genova, Via Dodecaneso 31, 16146, Genova, Italy.
To better understand how the biocatalyzed depolymerization of polyesters works, model molecules are needed to develop activity assays and determine enzymatic kinetic parameters. In this communication the chemical synthesis and characterization of 2-hydroxyethyl furan-5-carboxylic acid and bis(2-hydroxyethyl) furan-2,5-dicarboxylates as potential model molecules to further study the enzymatic depolymerization of poly(ethylene furanoate) was investigated.
View Article and Find Full Text PDFComput Biol Med
January 2025
Khalifa University, Abu Dhabi, United Arab Emirates. Electronic address:
Musculoskeletal modeling based on inverse dynamics provides a cost-effective non-invasive means for calculating intersegmental joint reaction forces and moments, solely relying on kinematic data, easily obtained from smart wearables. On the other hand, the accuracy and precision of such models strongly hinge upon the selected scaling methodology tailored to subject-specific data. This study investigates the impact of upper body mass distribution on internal and external kinetics computed using a comprehensive musculoskeletal model during level walking in both normal weight and obese individuals.
View Article and Find Full Text PDFJ Am Chem Soc
January 2025
Center for Sustainable Catalysis and Engineering, KU Leuven, Celestijnenlaan 200F, Leuven 3001, Belgium.
The local environment of the active site, such as the confinement of hydronium ions within zeolite pores, significantly influences catalytic turnover, similar to enzyme functionality. This study explores these effects in the hydrolysis of guaiacols─lignin-derived compounds─over zeolites in water. In addition to the interesting catechol products, this reaction is advantageous for study due to its bimolecular hydrolysis pathway, which involves a single energy barrier and no intermediates, simplifying kinetic studies and result interpretation.
View Article and Find Full Text PDFInorg Chem
January 2025
Nikolaev Institute of Inorganic Chemistry, Siberian Branch of the Russian Academy of Science, 630090 Novosibirsk, Russia.
The photoinduced reaction of [Pt(NO)] with pyridine or its derivatives (L) was found to result in the formation of [PtL](NO) salts in high yield. This transformation was successfully probed for methyl- and carboxyethyl-substituted pyridines, and the corresponding [PtL](NO) salts were isolated and fully characterized using single-crystal X-ray diffraction (SCXRD). Anation of the [Pt(py)] cationic complex with N was studied by H NMR spectroscopy in aqueous and water/dimethyl sulfoxide solutions of [Pt(py)](NO).
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