Dyssol—An open-source flowsheet simulation framework for particulate materials

Skorych, Vasyl; Dosta, Maksym; Heinrich, Stefan

doi:10.1016/j.softx.2020.100572

Cited by 16 publications

(15 citation statements)

References 20 publications

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“…Wegstein's method can be thought of as an element-wise extension of the secant method to multivariate systems [67]. Although Wegstein's method appears less popular than other methods considered in this work, it has found practical utility, particularly in chemical and process engineering software [68,69]. We include it here due to the striking similarity it bears to the control update with relaxation presented in equation (2.6).…”

Section: Wegstein Methodsmentioning

confidence: 99%

Implementation and acceleration of optimal control for systems biology

Sharp

Burrage

Simpson

2021

J. R. Soc. Interface.

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Optimal control theory provides insight into complex resource allocation decisions. The forward–backward sweep method (FBSM) is an iterative technique commonly implemented to solve two-point boundary value problems arising from the application of Pontryagin’s maximum principle (PMP) in optimal control. The FBSM is popular in systems biology as it scales well with system size and is straightforward to implement. In this review, we discuss the PMP approach to optimal control and the implementation of the FBSM. By conceptualizing the FBSM as a fixed point iteration process, we leverage and adapt existing acceleration techniques to improve its rate of convergence. We show that convergence improvement is attainable without prohibitively costly tuning of the acceleration techniques. Furthermore, we demonstrate that these methods can induce convergence where the underlying FBSM fails to converge. All code used in this work to implement the FBSM and acceleration techniques is available on GitHub at https://github.com/Jesse-Sharp/Sharp2021 .

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Section: Wegstein Methodsmentioning

confidence: 99%

Implementation and acceleration of optimal control for systems biology

Sharp

Burrage

Simpson

2021

J. R. Soc. Interface.

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show abstract

“…Wegstein's method can be thought of as an element-wise extension of the secant method to multivariate systems [33]. Although Wegstein's method appears less popular than other methods considered in this work, it has found practical utility, particularly in chemical and process engineering software [48,73]. We include it here due to the striking similarity it bares to the control update with relaxation presented in Equation (6).…”

Section: Wegstein Methodsmentioning

confidence: 99%

Implementation and acceleration of optimal control for systems biology

Sharp

Burrage

Simpson

2021

Preprint

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Optimal control theory provides insight into complex resource allocation decisions. The forward-backward sweep method (FBSM) is an iterative technique commonly implemented to solve two-point boundary value problems (TPBVPs) arising from the application of Pontryagin's Maximum Principle (PMP) in optimal control. In this review we discuss the PMP approach to optimal control and the implementation of the FBSM. By conceptualising the FBSM as a fixed point iteration process, we leverage and adapt existing acceleration techniques to improve its rate of convergence. We show that convergence improvement is attainable without prohibitively costly tuning of the acceleration techniques. Further, we demonstrate that these methods can induce convergence where the underlying FBSM fails to converge. All code used in this work to implement the FBSM and acceleration techniques is available on GitHub at https://github.com/Jesse-Sharp/Sharp2021.

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“…The mean absolute value of the relative error f according to the final tablet weight between the experiment and the simulation was calculated according to Equation (11). This equation was applied for all measuring points k that have been made in the experiment exp k (compare Section 4.2) and those equivalent measuring points in the simulation sim k .…”

Section: Configuration Of Simulation Setup and Error Analysismentioning

confidence: 99%

“…In past research, there have been efforts to adapt FSS especially for particulate processes in order to model detailed product characteristics to overcome this gap. This resulted in a modular open source system covering diverse process units by using multidimensional distributed product structures [ 11 ]. Additionally, reduced order models allow the integration of originally highly detailed models in FSS approaches at low computational expense [ 12 ].…”

Section: Introductionmentioning

confidence: 99%

Process Modeling and Simulation of Tableting—An Agent-Based Simulation Methodology for Direct Compression

et al. 2021

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In pharmaceutical manufacturing, the utmost aim is reliably producing high quality products. Simulation approaches allow virtual experiments of processes in the planning phase and the implementation of digital twins in operation. The industrial processing of active pharmaceutical ingredients (APIs) into tablets requires the combination of discrete and continuous sub-processes with complex interdependencies regarding the material structures and characteristics. The API and excipients are mixed, granulated if required, and subsequently tableted. Thereby, the structure as well as the properties of the intermediate and final product are influenced by the raw materials, the parametrized processes and environmental conditions, which are subject to certain fluctuations. In this study, for the first time, an agent-based simulation model is presented, which enables the prediction, tracking, and tracing of resulting structures and properties of the intermediates of an industrial tableting process. Therefore, the methodology for the identification and development of product and process agents in an agent-based simulation is shown. Implemented physical models describe the impact of process parameters on material structures. The tablet production with a pilot scale rotary press is experimentally characterized to provide calibration and validation data. Finally, the simulation results, predicting the final structures, are compared to the experimental data.

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Dyssol—An open-source flowsheet simulation framework for particulate materials

Cited by 16 publications

References 20 publications

Implementation and acceleration of optimal control for systems biology

Implementation and acceleration of optimal control for systems biology

Implementation and acceleration of optimal control for systems biology

Process Modeling and Simulation of Tableting—An Agent-Based Simulation Methodology for Direct Compression

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