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Population balance modeling: application in nanoparticle formation through rapid expansion of supercritical solution
Population balance modeling: application in nanoparticle formation through rapid expansion of supercritical solution
- Source :
- Computational Particle Mechanics. 6:721-737
- Publication Year :
- 2019
- Publisher :
- Springer Science and Business Media LLC, 2019.
-
Abstract
- The rapid expansion of supercritical solution (RESS) process is a novel method to produce free-solvent particles with narrow particle size distribution (PSD), and it is offered to replace conventional particle formation methods. The present study is aimed to investigate the numerical simulation of the RESS process comprising hydrodynamic and particle formation and solving population balance equation to compute PSD of solute-supercritical CO2 (SC-CO2) systems. Mass, momentum and energy balances in addition to an accurate equation of state are used to calculate hydrodynamic behavior of SC-CO2 at various conditions through a nozzle and supersonic free jet with considering heat exchange in the nozzle. The solubility of TBTPP (5, 10, 15, 20-tetrakis (3, 5-bis (trifluoromethyl) phenyl) porphyrin) in SC-CO2 is calculated using the Soave–Redlich–Kwong equation of state with van der Waals mixing rule. After that, supersaturation and nucleation of TBTPP and three other drugs, i.e., aspirin, salicylic acid and ibuprofen, are investigated. Eventually, the method of moments is used to solve the population balance equations to determine PSD of the solutes. The results are presented with and without coagulation. Furthermore, the effect of nozzle length and pre-expansion temperature on PSD is studied. Furthermore, to improve the results of coagulation model on PSD, collision frequency and lognormal function are modified. The modifications improve the coagulation results. The average absolute percent deviation of TBTPP solubility is 1.86. The CO2 hydrodynamic behavior shows the same trend as reported in the literature. Moreover, results of PSD calculation with coagulation indicated there is a good agreement with the experimental ones.
- Subjects :
- Equation of state
Materials science
Population
0211 other engineering and technologies
Computational Mechanics
Population balance equation
Thermodynamics
02 engineering and technology
01 natural sciences
symbols.namesake
Coagulation (water treatment)
0101 mathematics
education
021101 geological & geomatics engineering
Civil and Structural Engineering
Fluid Flow and Transfer Processes
Numerical Analysis
education.field_of_study
Supercritical fluid
010101 applied mathematics
Computational Mathematics
Modeling and Simulation
Particle-size distribution
symbols
Particle
van der Waals force
Subjects
Details
- ISSN :
- 21964386 and 21964378
- Volume :
- 6
- Database :
- OpenAIRE
- Journal :
- Computational Particle Mechanics
- Accession number :
- edsair.doi...........0023cabc70ec8fbd7c6c50869d984d9c
- Full Text :
- https://doi.org/10.1007/s40571-019-00257-w