Experimental and computational morphology of three polymorphs of the free base of Venlafaxine: A comparison of morphology prediction methods

Deij, M.A.; Eupen, J.T.H. van; Meekes, Hugo; Verwer, P.; Bennema, P.; Vlieg, E.

doi:10.1016/j.ijpharm.2007.11.034

Cited by 10 publications

(10 citation statements)

References 11 publications

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“…Bravais-Friedel-Donnay-Harker (BFDH), morphology growth (MG) and equilibrium morphology (EM) models are widely employed for comparing the morphologies [13][14][15][16].…”

Section: Introductionmentioning

confidence: 99%

Can vacuum morphologies predict solubility and intrinsic dissolution rate? A case study with felodipine polymorph form IV

Kumar

Thipparaboina

Shastri

2015

Journal of Computational Science

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“…Bravais-Friedel-Donnay-Harker (BFDH), morphology growth (MG) and equilibrium morphology (EM) models are widely employed for comparing the morphologies [13][14][15][16].…”

Section: Introductionmentioning

confidence: 99%

Can vacuum morphologies predict solubility and intrinsic dissolution rate? A case study with felodipine polymorph form IV

Kumar

Thipparaboina

Shastri

2015

Journal of Computational Science

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“…The determination of the basic crystal morphology, as well as the assessment of the solvent effects on the crystal morphology, becomes more and more important in modern industry. A great number of attempts have been made to investigate the solvent effects on the crystal morphology experimentally and theoretically (simulation) [1][2][3][4][5][6][7][8][9][10][11][12][13][14][15]. In this, the work of Lahav and Leiserowitz [1,2] is seminal in relating the mechanistic aspects associated with habit modification to the specificity of the intermolecular interactions between crystallographically ordered crystal habit surfaces and solvent/or impurity molecules.…”

Section: Introductionmentioning

confidence: 99%

“…They pointed out that the integration of on-line realtime 3D shape measurement, multi-scale modeling of morphology, multi-dimensional population balance modeling and computational fluid dynamics is the goal of the further research. Molecular dynamics [8,9,12,13] and Monte Carlo [9][10][11]14,15] methods have been applied to study the most favored interactions between the crystal habit surfaces and specific solvents in order to establish the modification to the crystal shape in terms of relative growth rates.…”

Section: Introductionmentioning

confidence: 99%

A molecular dynamics simulation of solvent effects on the crystal morphology of HMX

Duan

Wei

Liu

et al. 2010

Journal of Hazardous Materials

114

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“…We have performed experiments and confirmed that with fairly small amount of In source, 100% nano-necklaces were achieved (not shown here). BFDH law determines that the growth rate of the plane (hkil) is inversely proportional to the interplanar distance d hkil [33] . 3) (100) and (002) planes of w-InN, respectively, and are also in good agreement with previously reported values [27][28] .…”

Section: Resultsmentioning

confidence: 99%

Synthesis, microstructure, growth mechanism and photoluminescence of high quality [0001]-oriented InN nanowires and nanonecklaces

et al. 2015

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Novel indium nitride (InN) based nanomaterial is important for high speed electronics and infrared optoelectronics. In this paper, high quality Indium nitride (InN) nanostructures including nanowires and nanonecklaces, have been grown on one substrate by chemical vapor deposition. The morphologies and microstructures of InN nanowires and nanonecklaces were characterized, which confirmed their chemical composition as well as single crystallinity. The InN nanonecklaces consist of multiple beads composed of two equilateral truncated hexagonal cones faceted with { } 1 1 10 and { } 1 1 10 planes. The growth mechanism of the InN nanonecklace was studied and a three-step process was suggested for the growth. Finally, room temperature photoluminescence spectra of the two nanostructures showed the near band edge emissions of around 0.73 eV, where the emission from nanonecklace was found to be stronger, indicating the promise for near-infrared optoelectronics applications.Group III nitride semiconductors are extensively studied materials in the last two decades for broad technologies ranging from light emitters to fast electronics. Among them, much effort was dedicated to the study of InN for its distinguished physical and chemical properties [1][2][3][4][5] , especially the high electrical conductivity and electron mobility. These merits may lead to potential applications in high speed electronic devices, terahertz spectroscopy [6] , biosensors [7] , solar cells [8] , Fig. 5 TEM and HRTEM images of the InN nanowire and InN nanonecklace. (a) TEM image of an individual nanowire, (b) The corresponding HRTEM image and SAED pattern of the nanowire. (c) TEM image of an individual nanonecklace, (d) The corresponding HRTEM image and FFT pattern of the nanonecklace. (e) Space-filling model of ideal [0001] nanonecklace and schematic representation of Miller indexing of the various faces of crystal (left) and the corresponding crystal unit of the InN nanonecklace (right).Moreover, it should be noted that the above theoretical analysis is based on stoichiometric and ideal slow growth condition. In reality, the growth is also subject to other factors. In the case here, the In/N source ratio would render drastically different growth patterns like nanowires/nanonecklace. This phenomenon is commonly occurred in nanomaterial growth. For example, one CVD growth can yield six different morphologies in Gallium Sulfide structures [41] .Here the detailed theoretical analysis beyond BFDH method is not conducted, since this report is mainly focused on the experiment growth demonstration of peculiar InN nanostructures. 1 1 10 planes possess finite charges and dipole moments, they will give a rise to inversely positive and negative electrostatic surface energy. To keep the overall structure stable, the total surface free energy including the electrostatic surface energy and the surface

show abstract

Experimental and computational morphology of three polymorphs of the free base of Venlafaxine: A comparison of morphology prediction methods

Cited by 10 publications

References 11 publications

Can vacuum morphologies predict solubility and intrinsic dissolution rate? A case study with felodipine polymorph form IV

Can vacuum morphologies predict solubility and intrinsic dissolution rate? A case study with felodipine polymorph form IV

A molecular dynamics simulation of solvent effects on the crystal morphology of HMX

Synthesis, microstructure, growth mechanism and photoluminescence of high quality [0001]-oriented InN nanowires and nanonecklaces

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