Numerical solution of particle size distribution equation: Rapid expansion of supercritical solution (RESS) process--颗粒学报PARTICUOLOGY

Bagheri, H., Hashemipour, H., Ghalandari, V., & Ghader, S. (2021). Numerical solution of particle size distribution equation: Rapid expansion of supercritical solution (RESS) process. Particuology, 57, 201-213. https://doi.org/10.1016/j.partic.2020.12.011

Numerical solution of particle size distribution equation: Rapid expansion of supercritical solution (RESS) process

Hamidreza Bagheri ^a *, Hassan Hashemipour ^b *, Vahab Ghalandari ^c, Sattar Ghader ^a

a Department of Chemical Engineering, Faculty of Engineering, Shahid Bahonar University of Kerman, Kerman, Iran
b Department of Chemical Engineering, Faculty of Engineering, Vali-E-Asr University of Rafsanjan, Rafsanjan, Iran
c Momtazan Cement Company, Kerman, Iran

10.1016/j.partic.2020.12.011

Volume 57, August 2021, Pages 201-213

Received 12 December 2018, Revised 24 September 2020, Accepted 10 December 2020, Available online 26 January 2021, Version of Record 9 March 2021.

E-mail: hamidbagheri101@gmail.com; hBagheri@uk.ac.ir; hBagheri@uk.ac.ir; Hamidbagheri101@gmail.com h.Hashemipour@vru.ac.ir

Highlights

• Calculation of solubility of TBTPP-CO₂ system based on PR EoS with Kwak-Mansoori mixing rule.

• Investigation of hydrodynamic behavior of various supercritical solution systems based on mathematical modeling.

• Calculation of supersaturation and nucleation of TBTPP, aspirin, ibuprofen and salicylic acid.

• Prediction of particle size distribution of four solid binary systems through RESS process using method of moment.

• Investigation the effect of coagulation phenomenon on particle size distribution.

Abstract

The present study aimed to numerically simulate the rapid expansion of the supercritical solution (RESS) process including particle generation, hydrodynamics, and solving the population balance equation (PBE) to predict the particle-size distribution (PSD) of solid-supercritical carbon dioxide binary systems. Energy, momentum, and mass equations, in addition to the extended generalized Bender equation of state (EoS), were applied to predict the hydrodynamic behavior of a supercritical solution under several operating conditions using a nozzle and expansion vessel. The tetraphenylporphyrin (TBTPP) solubility in supercritical carbon dioxide was calculated using the Peng–Robinson EoS/Kwak–Mansoori as a mixing rule. Subsequently, TBTPP, aspirin, ibuprofen, and salicylic acid nucleation as well as the supersaturation rate were calculated. Finally, we solved the time dependence of the parameters of the size distribution numerically. The established models are compared over a wide parameter range using a reference model that refers to the method of moment log-normal size distribution functions through the RESS process to predict a solid PSD. The results obtained are presented with and without coagulation phenomena. The average absolute percent deviation of solubility of TBTPP was 3.98, and the hydrodynamic behavior of supercritical carbon dioxide showed a similar trend as the results presented in the published research work. Furthermore, a particle size distribution prediction using coagulation showed acceptable agreement with the experimental PSDs.

Graphical abstract

Keywords

Coagulation; Growth; Method of moment; Particle size distribution; Supercritical solution

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