Crystal morphology prediction of 2,2′,4,4′,6,6’-hexanitrostilbene (HNS) by molecular scale simulation
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DOI: 10.1007/s00894-020-04474-6
Abstract: The spiral growth model was applied to predict the crystal morphology of 2,2′,4,4′,6,6′-hexanitrostilbene (HNS). We selected solvents of N,N-dimethylformamide (DMF), N-methyl pyrrolidone (NMP), and nitric acid (NA) to control the crystal morphologies of HNS. Molecular… read more here.
Keywords: crystal morphology; hexanitrostilbene hns; hns molecular;
The study of external growth environments on the crystal morphology of ε-HNIW by molecular dynamics simulation
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DOI: 10.1007/s10853-018-2543-6
Abstract: Attachment energy model was adopted to research the influence of external growth environments on ε-HNIW crystal morphology. The morphology of ε-HNIW crystal in acetone–cyclohexane binary systems was simulated with cyclohexane mass fraction of 0.05, 0.10,… read more here.
Keywords: crystal morphology; external growth; morphology; hniw crystal ... See more keywords
The effect of solution conditions on the crystal morphology of β-HMX by molecular dynamics simulations
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DOI: 10.1016/j.jcrysgro.2018.10.056
Abstract: Abstract To research the influence of solution conditions on β-HMX crystal morphology in acetone-ethyl acetate-water ternary system, attachment energy (AE) model was adopted to simulate the morphology of β-HMX with the water mass fraction of… read more here.
Keywords: water; crystal morphology; hmx; acetone ethyl ... See more keywords
Microfluidic strategy for rapid and high-quality control of crystal morphology of explosives
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DOI: 10.1039/d0re00119h
Abstract: The crystal morphology of explosives has a great influence on their detonation performance and safety. In order to realize the crystal morphology control of explosives, a new strategy based on microfluidics was proposed. The new… read more here.
Keywords: crystal morphology; morphology explosives; control; morphology ... See more keywords
Effect of organic solvents on calcium minodronate crystal morphology in aqueous solution: an experimental and theoretical study
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DOI: 10.1039/d2ra07130d
Abstract: The influence of nine organic solvents on the crystal morphology of calcium minodronate (Ca(Min)2) was investigated by experimental investigations and molecular simulations. Hirshfeld analysis was used to reveal the intermolecular interactions, and the modified attachment… read more here.
Keywords: calcium minodronate; morphology; organic solvents; organic water ... See more keywords