Browsing Synthesis and Solid State Pharmaceutical Centre by Author "Irish Centre for High-End Computing (ICHEC)"

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Extended lifetime of molecules adsorbed onto excipients drives nucleation in heterogeneous crystallization

Cazade, Pierre-André; Verma, Vivek; Hodnett, Benjamin K.; Thompson, Damien (American Chemical Society, 2021)

Monte Carlo (MC) and molecular dynamics (MD) computer simulations were used to investigate the role of adsorption during seeded and heterogeneous crystallization. The simulations characterized the range of adsorption ...
An insight into the role of additives in controlling polymorphic outcome: a CO2-antisolvent crystallization process of carbamazepine

Padrela, Luis; Zeglinski, Jacek; Ryan, Kevin M. (American Chemical Society, 2017)

Controlling pharmaceutical polymorphism in crystallization processes represents a major challenge in pharmaceutical science and engineering. For instance, CO2-antisolvent crystallization typically favors the formation ...

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