Estimation of e-NRTL binary interaction parameters and its impact on the prediction of thermodynamic properties of multicomponent electrolyte systems

Valverde, J.L.; Ferro, Víctor R.; Giroir‐Fendler, A.

doi:10.1016/j.fluid.2021.113264

Cited by 8 publications

(2 citation statements)

References 35 publications

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“…Levenberg-Marquardt algorithm [27] coupled with an ANOVA analysis was used for training the network [28] . This algorithm has been also proposed for predictive inferential control of distillation.…”

Section: Neural Network Trainingmentioning

confidence: 99%

Exploring Alternatives to Create Digital Twins from and for Process Simulation

Barbero-Sánchez,

Megía-Ortega,

R. Ferro

et al. 2024

j. of Comput. sci. res.

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In this work, Digital Twins based on Neural Networks for the steady state production of styrene were generated. Thus, both the Aspen Technology AI Model Builder (alternative 1) and a homemade MS Excel VBA code connected to Aspen HYSYS and Aspen Plus (alternative 2) were used with this same aim. The raw data used for generating the Digital Twins were obtained from process simulations using Aspen HYSYS and/or Aspen Plus, which were connected through a recycle-like stream via automation for solving the entire simulation flowsheet. Aspen HYSYS was used for solving the pre-heating, reaction, and stabilization sections of the process whereas Aspen Plus ensured the computing of the separation and purification columns. Both alternatives led to an excellent prediction showing the capability of creating Digital Twins from and for process simulation.

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Section: Neural Network Trainingmentioning

confidence: 99%

Exploring Alternatives to Create Digital Twins from and for Process Simulation

Barbero-Sánchez,

Megía-Ortega,

R. Ferro

et al. 2024

j. of Comput. sci. res.

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“…Very recently, the values of the binary interaction parameters of the e‐NRTL model for different salts in the water included in the Aspen Plus database were refined [19]. The e‐NRTL equation was solved by using a procedure implemented in Aspen Plus by linking the process simulator and the Excel VBA code via automation as the third‐party software.…”

Section: Introductionmentioning

confidence: 99%

Automation in the simulation of processes with Aspen HYSYS: An academic approach

Valverde

Ferro

Giroir‐Fendler

2022

Comp Applic In Engineering

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Aspen HYSYS is a typical tool used in some Master in Chemical Engineering courses at the University of Castilla-La Mancha like "Analysis and Optimization of Chemical Processes" and "Dynamic of Process: Regulation of Chemical Plants." Automation is the process of linking commercial software to thirdparties applications built in EXCEL-Visual Basic for Applications. The capability of automation as a powerful tool for simulating unprecedented complex processes suggests that it could be a relevant background complement to the classical one offered by a university. In this sense, a seminar about automation based on the study of two cases: a refrigeration process and a production one taken from literature, has been proposed at the University of Castilla-La Mancha.The analysis of the survey performed for the subject evaluation resulted to be very positive. Students consider the methodology of the course and the potentiality of automation for developing their research and professional skills appropriately. However, more examples are required to better understand the automation concept and its potential application to other situations. Finally, they declare that the concept of automation requires a lot of expertise and deep knowledge of programming and the correct application of numerical methods for solving complex problems.

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