A COMPUTATIONAL MODEL OF SOLUTION CRYSTALLIZATION UNDER CONTROL ACTION OF TEMPERATURE FIELD FOR THE CASE OF BIOCRYSTAL GROWTH
V. P. Ginkin, S. M. Ganina, O. M. Ginkina
VANT. Ser.: Mat. Mod. Fiz. Proc 2010. Вып.2. С. 64-74.
A computational model was built and the numerical study of the protein crystallization (lysozyme) out of a water solution under the impact of a precipitant (NaCl) concentration spatial distribution and controlling point-wise temperature impact was performed. The computational model describes the generation of the crystal nuclei and their growth depending on the oversaturation local value as well as on the heat-mass transport in the whole solution area including the protein crystals. The heat-mass transport is described by the Navier-Stokes equations in the Boussinesq approximation with account for the thermogravitation and concentration convections.Keywords: protein crystallization, lysozyme, mathematical crystallization model, precipitant, equilibrium solubility, solubility as a function of temperature, oversaturation, convection, Navier-Stokes equation, computational algorithm, growth rate control, point-wise temperature impact.
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