Development of high-performance hybrid ANN-finite volume scheme (ANN-FVS) for simulation of pharmaceutical continuous granulation

Ismail, Hamza Y.; Singh, Mehakpreet; Shirazian, Saeed; Albadarin, Ahmad B.; Walker, Gavin

doi:10.1016/j.cherd.2020.09.002

Cited by 39 publications

(13 citation statements)

References 30 publications

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“…Mathematically, the proportionality constant for overlapping of the cells is calculated using the relation given below: (14) where min It can be noticed that the (15) does not give any account for the mass conservation law which is a necessary condition for any numerical method. This signifies that the above formulation cannot be used to track the true behavior of the number density and require some adjustments to predict the integral properties (zeroth-and first-order moments) accurately corresponding to the number density function.…”

Section: Numerical Schemementioning

confidence: 99%

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Finite volume approach for fragmentation equation and its mathematical analysis

Singh

Walker

2021

Numer Algor

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This work is focused on developing a finite volume scheme for approximating a fragmentation equation. The mathematical analysis is discussed in detail by examining thoroughly the consistency and convergence of the numerical scheme. The idea of the proposed scheme is based on conserving the total mass and preserving the total number of particles in the system. The proposed scheme is free from the trait that the particles are concentrated at the representative of the cells. The verification of the scheme is done against the analytical solutions for several combinations of standard fragmentation kernel and selection functions. The numerical testing shows that the proposed scheme is highly accurate in predicting the number distribution function and various moments. The scheme has the tendency to capture the higher order moments even though no measure has been taken for their accuracy. It is also shown that the scheme is second-order convergent on both uniform and nonuniform grids. Experimental order of convergence is used to validate the theoretical observations of convergence.

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Section: Numerical Schemementioning

confidence: 99%

“…Fragmentation is a well-known mechanism occur in many applications of aerosol [10], depolymerization [1,12], crystallization [31], pharmaceutical sciences [14,15] and chemical engineering [23,30]. The fragmentation process leads the formation of two or more smaller size particles after the disintegration of larger size particles.…”

Section: Introductionmentioning

confidence: 99%

Finite volume approach for fragmentation equation and its mathematical analysis

Singh

Walker

2021

Numer Algor

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“…Smoluchowski equation has been intensively studied in the past decades due its various applications in the area of chemical engineering and pharmaceutical sciences such as crystallization, 1 twin screw granulation, 2,3 sprayed fluidized bed granulator, 4 and polymerization/depolymerization 5,6 . This equation addresses the change in various particles properties of a particulate system 7–11 and used to track the evolution of number distribution function

f (x, t)

corresponds to different properties

x = (x_{1}, x_{2} \dots, x_{k})

at time

t \geq 0

.…”

Section: Introductionmentioning

confidence: 99%

New finite volume approach for multidimensional Smoluchowski equation on nonuniform grids

Singh

2021

Stud Appl Math

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This present work is based on developing a deterministic discrete formulation for the approximation of a multidimensional Smoluchowski (Coalescence) equation on a nonuniform grid. The mathematical formulation of the proposed method is simpler, easy to implement, and focuses on conserving the first‐order moment. The new scheme resolved the issue of mass conservation along individual components in contrast to the existing scheme which focuses only on conservation of the total mass of all components. The validation of the new scheme is conducted against the existing scheme by considering some classical tests. The comparison reveals that the new scheme has the ability to compute the higher‐order moments with higher accuracy than the existing scheme on a coarse grid without taking any specific measures. For the higher‐dimensional population balance equations, the mixing of components quantified using χ2 parameter is also computed accurately and efficiently using a very coarse nonuniform grid.

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“…Most pharmaceuticals are manufactured in a solid dosage form due to ease of manufacturing and administration 1. However, more than 40 % of the newly discovered active pharmaceutical ingredients (API) are poorly soluble in water, which requires these API to be taken at high dosages by patients 2. Indeed, the bioavailability of these API in the human body is mainly controlled by their solubility, which is attributed to their hydrophobic nature 3.…”

Section: Introductionmentioning

confidence: 99%

Evaluation of Supercritical Technology for the Preparation of Nanomedicine: Etoricoxib Analysis

Pishnamazi

Zabihi

Jamshidian³

et al. 2021

Chem Eng & Technol

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The solubility of etoricoxib in supercritical CO2 was measured using a gravimetric method in a wide range of pressures and temperatures. A pressure‐volume‐temperature (PVT) cell was designed and used. Different solubility values were obtained between 2.34 × 10−5 and 7.96 × 10−4 mol mol−1, depending on the applied pressure and temperature. Analyzing the solubility curves revealed that the pressure had a direct effect on the solubility of etoricoxib at all temperatures, while the effect of the temperature was dependent on the crossover point in the solubility curve. Indeed, before reaching the crossover point, the solubility decreased with increasing temperature, and after the crossover point, a direct relationship was observed between the solubility and the temperature. As such, the lowest solubility was obtained at 120 bar and 338 K.

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Development of high-performance hybrid ANN-finite volume scheme (ANN-FVS) for simulation of pharmaceutical continuous granulation

Cited by 39 publications

References 30 publications

Finite volume approach for fragmentation equation and its mathematical analysis

Finite volume approach for fragmentation equation and its mathematical analysis

New finite volume approach for multidimensional Smoluchowski equation on nonuniform grids

Evaluation of Supercritical Technology for the Preparation of Nanomedicine: Etoricoxib Analysis

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