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Manuscript Title: A software program to investigate the nucleation kinetics of solution grown crystals using MATLAB platform
Authors: S. Rama, C.Surendra Dilip, Rajesh Narayana Perumal
Program title: Nucleation
Catalogue identifier: AERG_v1_0
Distribution format: tar.gz
Journal reference: Comput. Phys. Commun. 185(2014)661
Programming language: MatLab (MathWorks Inc.) version R2013a. Statistics Toolbox and Curve Fitting Toolbox required.
Computer: Any computer running MatLab (MathWorks Inc.).
Operating system: Tested on Windows XP, but generally it would work on any computer running MatLab (MathWorks Inc.).
Keywords: Nucleation kinetics, Growth from solution, Growth rate and MATLAB program.
Classification: 8.

Nature of problem:
In crystal growth, the knowledge of nucleation thermodynamical parameters like interfacial energy, meta-stable zone width (supercooling temperature), volume free energy, critical energy barrier for nucleation, radius of critical nucleus and nucleation rates are essential for the growth of good quality bulk single crystals. In these parameters, metastable zone width determination is very useful for growth. Also some curve fitting tool is needed to obtain more information about nucleation kinetics.

Solution method:
In this program, an attempt has been made to calculate nucleation parameters theoretically to understand the role of these nucleation thermodynamical parameters for the crystallization. A linear fit is done to calculate enthalpy of solution and polynomial fitting is used to derive saturation concentration equation. Metastable zone width was calculated by enthalpy-supersaturation relation. Supersaturation control is a decisive parameter for optimizing growth condition during crystallization processes. The effects of metastable zone width and nucleation rate of crystal caused by changes in different supersaturation ratios were analyzed.

Running time:
Interactive and instantaneous.