People:  Graduate Students: HHaris Siampanis
Haris Siampanis

Degree: Ph.D., Chemical Engineering
Advisor: Christos Georgakis
Degree:  M.Sc. Candidate, Chemical Engineering

Research Project:
“Towards a Novel Approach in Solving Population Balance Equations that account for Crystal Size and Shape”

Project Description: A wide range of industries such as pharmaceuticals, minerals, food and petrochemicals use crystallization for separation and purification purposes. Crystallization is the process of formation of solid crystals from a homogeneous solution. According to Ramhkrisna, Population Balance Equation (PBE) is the mathematical description of the change in particle identities during a process (such as crystallization). Although a lot of research efforts have led to the development of various numerical techniques for the solution of PBEs a lack of a more generalized approach which can be applied in multi-dimensional PBEs is observed. Evidence from previous research efforts, suggests that the General Gamma Distribution may be able to describe a PBE accurately. The overall project goal aims to provide the tools to solve PBEs by assuming the solution form to be a linear combination of one or two 3-parameter General Gamma Distribution.

In order to implement this idea it is suggested to express the number density function n(x, t) as the three-parameter General Gamma distribution. This expression gives the flexibility to extend the system in a more general multi-dimensional system that can be used to describe the crystal shape. Starting from the fundamental equation for 1-dimensional PBE, the number density function n(x, t) is replaced by the General Gamma three-parameter distribution. The first parameter p1>0 is a scale parameter, and the other two p2>0 and p3>0 are shape parameters. To calculate the p1, p2, p3 one needs to take three moments and build a system of three differential equations for the time dependence of three parameters. At each time t the external conditions of the overall PBE will determine the value of supersaturation and thus the crystal growth rate.

Runge-Kutta45 method is employed to calculate the time evolution of p1, p2, p3. The initial used basis set consists of the simple functions {1,x,x2,x3,…}. After rescaling the method another set of basis comprises of {1,ξ,ξ2,ξ3,…} is used. A more accurate solution might be possible by projecting the PBE along a third set of basis that is orthogonal in the (0,+) interval and to this direction Laguerre polynomials are the next to be explored.

The same procedure is to be followed for the two gamma distributions that are set equal to the number density function. The new system with the 7 parameters is solved and the models with one and two gamma distributions are compared. The residuals and real distribution data will define the best appropriate model.

Education & Experience:

National Technical University of Athens (NTUA)

M.Sc, Organic Industrial Engineering,
B.Sc. in Chemical Engineering

Funding:
Tufts University



Graduate Students:

Fernando Lima
Foteini Makrydaki
Praveen Prasanna
Lisa Schupmann
Sze Wing Wong