Prediction and Theoretical Investigation of the Morphology of Erythromycin Dihydrate Crystals
نویسنده
چکیده
Purpose: To predict and theoretically investigate the morphology of erythromycin dihydrate crystals. Methods: The crystal morphology of erythromycin dihydrate was predicted using the Bravais-FriedelDonnay-Harker (BFDH) and attachment energy (AE) models of molecular simulation software, Cerius, in vacuo. Results: The morphology predicted by the two models is approximately consistent. The morphology predicted by AE model was in good agreement with the morphology of crystals grown from solution. The main crystal faces {002}, {101}, {011} and {012} were observed in the morphology predicted by AE model. By cleaving revealable crystal faces in the morphology predicted by AE model, surface chemistry visualization and theoretical analysis based on interaction of H-band net formed in intramolecules or inter-molecules for important morphological forms were performed. Conclusion: The results show that H-band interaction plays a critical role in the plate-like morphology of erythromycin dihydrate, which is in accordance with the theory of Periodic Bond Chain (PBC).
منابع مشابه
Investigation of Nanoparticles Morphology on Viscosity of Nanofluids and New Correlation for Prediction
This article presents an experimental investigation on effects of morphology of nanoparticles on the viscosity nanofluids (NFs). Water and ethylene glycol were used as base fluids. A two step method was used for preparation of NFs. SiO2 nanoparticles, CNT and graphene nano sheets were dispersed in the base fluids separately with the volume fraction ranging from 0.05% to 1.5%. Stability of the n...
متن کاملNew Method for Synthesis of Zinc Metaborate Zn4B6O13 Crystals via Sol-Gel Process and Investigation of DFT Calculations
In this work facile sol-gel (pechni) method has been successfully established to synthesize Zn4B6O13 nanocrystals which have cubic crystals with lattice parameter: a =7.48 A. The structure and morphology of the obtained material were studied by X-ray diffraction (XRD), Infrared spectra (IR), scanning electron microscopy (SEM) and photoluminescence analysis. The experimental results show a band ...
متن کاملNew Method for Synthesis of Zinc Metaborate Zn4B6O13 Crystals via Sol-Gel Process and Investigation of DFT Calculations
In this work facile sol-gel (pechni) method has been successfully established to synthesize Zn4B6O13 nanocrystals which have cubic crystals with lattice parameter: a =7.48 A. The structure and morphology of the obtained material were studied by X-ray diffraction (XRD), Infrared spectra (IR), scanning electron microscopy (SEM) and photoluminescence analysis. The experimental results show a band ...
متن کاملDistinguishing Anhydrate and Gypsum Scale in Mixing Incompatible Surface and Ground Waters During Water Injection Process
Determination of the type of precipitated calcium sulfate in mixing two incompatible injection and formation waters was studied experimentally in this work at two temperatures of 26oC and 80oC. Here the SEM, EDX and XRD techniques have been used to inspect the temperature effects on the morphology, type, and size of the precipitated calcium sulfate crystals. The result...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
عنوان ژورنال:
دوره شماره
صفحات -
تاریخ انتشار 2014