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A kinetic Monte Carlo framework was used to study the collective/coupled effect of reactions on the progress of the co-crystallization process. it was found that operating at low temperatures (especially lower or very close to the melting temperature of ibuprofen) for longer residency times creates a safe route for maximizing the presence of ibuprofen and nicotinamide co-crystals. If the proposed route is applied, the purity and properties of the produced co-crystal would be significant, especially its desirable availability within the
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