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Numerical simulation of the seeded batch cooling crystallization process of active pharmaceutical ingredients was performed. Crystal size distribution was observed by focused‐beam reflectance measurements and concentration by simultaneous Fourier transform infrared spectroscopy. First, kinetic parameters were estimated. Nucleation rate coefficient and order were estimated from the linear regression equation between cooling rate and metastable zone width. The remaining parameters were estimated from the evaluation function. Then, the numerical simulation was performed by utilizing the method of moments. Finally, observed data were compared with simulated data. The simulated values of mean mass size corresponded reasonably with the observed ones. 相似文献
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Wang Peng Qu Xin-Ping Dordi Yezdi Joi Aniruddha 《Journal of Materials Science: Materials in Electronics》2022,33(9):6318-6328
Journal of Materials Science: Materials in Electronics - Ru is an excellent adhesion layer to copper and possible conductor material yet it has poor barrier properties and poor adhesion with SiO2.... 相似文献
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Partial seeding, in which the nuclei originating from seed crystals grow to yield the product crystals, was simulated and optimized for controlling the batch cooling crystallization process of L-arginine. The product quality was evaluated by the coefficient of variation (CV) of the crystal size distribution. First, the optimum seed amount for partial seeding was estimated by simulation. Then, the simulated values of the optimum seed amount and the resulting local minimum CV were correlated with the seed crystal size and the cooling rate. The correlation can be utilized for estimating the seed amount in the case that the seed crystals are added in a slurry. Finally, these simulated values were compared to the measured ones. Consequently, the optimum seed amount was suggested to be reasonably predicted. 相似文献
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