Antisolvent crystallization: Model identification, experimental validation and dynamic simulation

Nowee, Seyed Mostafa; Abbas, Ali; Romagnoli, José A.

doi:10.1016/j.ces.2008.08.003

Cited by 112 publications

(45 citation statements)

References 38 publications

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“…In addition, the membrane distillation technology was also reported as the antisolvent addition devices (Drioli et al, 2012;Profio et al, 2010), and well-designed interpretation model of antisolvent crystallization was also proposed (Mostafa Nowee et al, 2008;Sangwal, 2010), which explored a potential application of the MDR technology to the MSZW of antisolvent crystallization process.…”

Section: Effect Of Parameters and Further Discussion On Mdr Technologymentioning

confidence: 99%

A novel membrane distillation response technology for nucleation detection, metastable zone width measurement and analysis

Jiang

Ruan

Xiao

et al. 2015

Chemical Engineering Science

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Section: Effect Of Parameters and Further Discussion On Mdr Technologymentioning

confidence: 99%

A novel membrane distillation response technology for nucleation detection, metastable zone width measurement and analysis

Jiang

Ruan

Xiao

et al. 2015

Chemical Engineering Science

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“…During solvent exchange, counter-diffusion occurs according to Fick’s law 24 . Thus, a polymer solution gradually loses its solvent, leading to decreased solubility 28 . In the case of the coagulation of a colloidal system such as CNF or TOCNF, instability and further phase-separation occur in the coagulation bath by the effect of interfibrillar aggregation.…”

Section: Introductionmentioning

confidence: 99%

Effects of non-solvents and electrolytes on the formation and properties of cellulose I filaments

Lundahl

Greca

Papageorgiou

et al. 2019

Sci Rep

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Coagulation is a critical process in the assembly of cellulose nanofibrils into filaments by wet spinning; however, so far, the role of the coagulation solvent has not been systematically elucidated in this context. This work considers organic non-solvents (ethanol, acetone) and aqueous electrolyte solutions (NaCl(aq), HCl(aq), CaCl2(aq)) for the coagulation of negatively charged cellulose nanofibrils via wet spinning. The associated mechanisms of coagulation with such non-solvents resulted in different spinnability, coagulation and drying time. The properties of the achieved filaments varied depending strongly on the coagulant used: filaments obtained from electrolytes (using Ca2+ and H+ as counterions) demonstrated better water/moisture stability and thermomechanical properties. In contrast, the filaments formed from organic non-solvents (with Na+ as counterions) showed high moisture sorption and low hornification when subjected to cycles of high and low humidity (dynamic vapor sorption experiments) and swelled extensively upon immersion in water. Our observations highlight the critical role of counter-ions and non-solvents in filament formation and performance. Some of the fundamental aspects are further revealed by using quartz crystal microgravimetry with model films of nanocelluloses subjected to the respective solvent exchange.

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“…Afterward, the relevant catalyst surface information is extracted for each tooth and interpolated to determine the values across the gaps. These values are plugged into the surface boundary condition (Equation (7) and Equations (13)(14)) and used to re-evaluate the fluid phase behaviour. This cycle is repeated until the fluid species concentrations converge to steady-state.…”

Section: Multiscale Model Assemblymentioning

confidence: 99%

“…Accordingly, numerous model‐based operational and optimization studies have been previously implemented for catalytic reactor systems . Other model‐based optimization applications include batch crystallization, industrial rotary drying, battery performance enhancement, mechanical pulping, and thin film deposition . However, modelling the behaviour of a catalytic flow reactor is challenged by its multiscale nature.…”

Section: Introductionmentioning

confidence: 99%

Robust optimization of a multiscale heterogeneous catalytic reactor system with spatially‐varying uncertainty descriptions using polynomial chaos expansions

Chaffart

Ricardez‐Sandoval

2017

Can J Chem Eng

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This paper explores the effects of spatially-varying parametric uncertainty on the performance of a heterogeneous catalytic flow reactor system. The catalytic reactor behaviour is simulated using a spatially-dependent multiscale model that combines kinetic Monte Carlo (kMC) with continuum transport equations to capture the relevant phenomena on the scales in which they occur. Polynomial chaos expansions (PCEs) are implemented to effectively propagate parametric uncertainty through the reactor model. These expansions are used to perform uncertainty analysis on the catalytic reactor system in order to accurately and effectively evaluate and compare the effects of spatially-constant and spatially-varying uncertainty distributions. The uncertainty comparison is further extended through application to robust optimization. To reduce the computational cost of the optimization, statistical data-driven models (DDMs) are identified to approximate the key statistical parameters (mean, variance, and probabilistic bounds) of the reactor output variability for each uncertainty description. The DDMs are incorporated into robust optimization formulations that maximize the reactor productivity and minimize the output variability subject to parametric uncertainty. The results demonstrate the impact of spatially-varying parametric uncertainty on the catalytic reactor performance and highlight the importance of its inclusion to adequately account for phenomena such as catalyst fouling in robust optimization and process improvement studies.

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Antisolvent crystallization: Model identification, experimental validation and dynamic simulation

Cited by 112 publications

References 38 publications

A novel membrane distillation response technology for nucleation detection, metastable zone width measurement and analysis

A novel membrane distillation response technology for nucleation detection, metastable zone width measurement and analysis

Effects of non-solvents and electrolytes on the formation and properties of cellulose I filaments

Robust optimization of a multiscale heterogeneous catalytic reactor system with spatially‐varying uncertainty descriptions using polynomial chaos expansions

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