A New Technique for Calculating Kinetic and Thermodynamic Barriers for Nucleation Rates and Interfacial Energy of CaCO 3 Prenucleation Nanoclusters at High Temperature Using TGA Models and In Situ Crystallization
Sign Up to like & getrecommendations! Published in 2023 at "Crystal Research and Technology"
DOI: 10.1002/crat.202300004
Abstract: Nucleation at different temperature levels can provide quantitative insights into the energy barrier associated with sub‐molecular nuclei. The accurate calculation of nucleation rates, thermodynamics, and interfacial energy for extremely small nanoclusters (1−2 nm) remains a… read more here.
Keywords: nucleation; prenucleation; interfacial energy; nucleation rates ... See more keywords
Prenucleation at the liquid-Al/α-Al2O3 and the liquid-Al/MgO interfaces
Sign Up to like & getrecommendations! Published in 2020 at "Computational Materials Science"
DOI: 10.1016/j.commatsci.2019.109258
Abstract: Abstract Prenucleation refers to the atomic ordering in the liquid adjacent to a liquid/substrate interface above the nucleation temperature. It provides a precursor for heterogeneous nucleation in the liquid adjacent to the interface. As magnesia… read more here.
Keywords: mgo; liquid; liquid adjacent; liquid al2o3 ... See more keywords
Using Prenucleation Aggregation of Caffeine-Benzoic Acid as a Rapid Indication of Co-crystallization from Solutions.
Sign Up to like & getrecommendations! Published in 2023 at "Molecular pharmaceutics"
DOI: 10.1021/acs.molpharmaceut.2c00829
Abstract: Co-crystal design is a convenient way to remedy the poor biopharmaceutical properties of drugs. Most studies focus on experimental co-crystal screening or computational prediction, but hardly any work has been done toward fast, efficient, and… read more here.
Keywords: spectroscopy; prenucleation; caffeine benzoic; crystallization ... See more keywords
Monitoring of CaCO3 Nanoscale Structuration through Real-Time Liquid Phase Transmission Electron Microscopy and Hyperpolarized NMR.
Sign Up to like & getrecommendations! Published in 2022 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.2c05731
Abstract: Calcium carbonate (CaCO3) is one of the most significant biominerals in nature. Living organisms are able to control its biomineralization by means of an organic matrix to tailor a myriad of hybrid functional materials. The… read more here.
Keywords: liquid phase; prenucleation; microscopy; real time ... See more keywords
Atomistic structures and dynamics of prenucleation clusters in MOF-2 and MOF-5 syntheses
Sign Up to like & getrecommendations! Published in 2019 at "Nature Communications"
DOI: 10.1038/s41467-019-11564-4
Abstract: Chemical reactions in solution almost always take place via a series of minute intermediates that are often in rapid equilibrium with each other, and hence hardly characterizable at the level of atomistic molecular structures. We… read more here.
Keywords: prenucleation clusters; atomistic structures; structures dynamics; prenucleation ... See more keywords