title: Experimental observations and numerical modelling of diffusion-driven crystallisation processes.
abstract: This paper reports experimental results and modelling on the crystallisation processes induced by counter diffusion method of a precipitant agent in a lysozyme protein solution. Comparison between experimental observations and numerical simulations in the presence of convection and sedimentation and without them (suppressed using gel) provides a validation of the model. Different values of the initial protein concentration are used, in order to investigate the effects of supersaturation conditions on the process, and in particular on nucleation. The model and the experimental approach may represent a useful methodology for the determination of the parameters and conditions that may lead to protein crystallisation. A Mach-Zehnder interferometer is used to monitor the transport dynamics in situ in the fluid phase by observing the compositional field. The effect of the solute transport gives rise to a "nucleation front" that propagates inside the protein solution. The crystal formation, caused by progressing of the front, results in a modulation in time and in space (similar to Liesegang patterns), due to the non-linear interplay among transport, crystal nucleation and growth. Both experimental observation and numerical modelling show spatial and size distributions of crystals that demonstrate comparable evidences of the phenomena.
mesh_terms: D000818:Animals; D011232:Chemical Precipitation; D003460:Crystallization / Q000379:methods* / Q000706:statistics & numerical data; D004058:Diffusion; D007368:Interferometry; D008956:Models, Chemical; D009113:Muramidase / Q000737:chemistry; D012996:Solutions
chemical_list: D012996:Solutions; D009113:Muramidase