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Augmented and Cloud Computing With Chemical Process Simulators.

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Title: Augmented and Cloud Computing With Chemical Process Simulators.
Authors: Cowart, Samuel V.1 (AUTHOR), Yuk, Simuck F.1 (AUTHOR), James, Corey M.1 (AUTHOR), Nagelli, Enoch A.1 (AUTHOR), Biaglow, Andrew I.1 (AUTHOR) andrew.biaglow@westpoint.edu
Source: Software: Practice & Experience. May2025, Vol. 55 Issue 5, p791-808. 18p.
Subjects: Mathematica (Computer software), Machine learning, Engineering models, Software as a service, Simulation software, Software architecture, Cloud computing, Computer systems
Abstract: Methodology: Mathematica provides unique symbolic and machine learning tools for developing and solving mathematical models that make it attractive for engineering applications. Chemical engineers frequently have a need to update process design software with custom unit operation models. This paper shows two new methods to connect Mathematica to chemical process simulators, including a local PC‐based connection and a cloud‐based connection. Both methods are discussed in detail using an illustrative example of a membrane separation process. We also demonstrate how the connection between Mathematica and Excel facilitates spreadsheet calculations while enabling the connection with the process simulator software. Furthermore, all methods shown here are model‐independent and can be implemented with any equation‐based model or with machine‐learning models when adequate training data is available. Results: Our results show that Mathematica can be connected to chemical process simulators such as CHEMCAD or Aspen Plus. The performance of the methods was evaluated by direct comparison to standard models that already exist in the literature and in the process simulator software. To date, we have experimented with multicomponent flash, well‐mixed membrane calculations and machine‐learning models. However, any model that can be functionalized in Mathematica can be connected to the process simulator. Conclusion: This paper demonstrates that Mathematica can be connected to chemical process simulators such as CHEMCAD and Aspen Plus. This is important because of the symbolic mathematics and machine‐learning tools available in Mathematica. The software can be connected using a local connect with Mathematica Link for Excel, or a cloud‐based connection using Wolfram Cloud Connector. Both methods are relatively easy to implement and are particularly exciting for research and design of new process models, or if one wishes to use CHEMCAD with proprietary models. [ABSTRACT FROM AUTHOR]
Copyright of Software: Practice & Experience is the property of Wiley-Blackwell and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
Database: Engineering Source
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DbLabel: Engineering Source
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PubType: Academic Journal
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  Data: Augmented and Cloud Computing With Chemical Process Simulators.
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  Data: <searchLink fieldCode="JN" term="%22Software%3A+Practice+%26+Experience%22">Software: Practice & Experience</searchLink>. May2025, Vol. 55 Issue 5, p791-808. 18p.
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  Data: <searchLink fieldCode="DE" term="%22Mathematica+%28Computer+software%29%22">Mathematica (Computer software)</searchLink><br /><searchLink fieldCode="DE" term="%22Machine+learning%22">Machine learning</searchLink><br /><searchLink fieldCode="DE" term="%22Engineering+models%22">Engineering models</searchLink><br /><searchLink fieldCode="DE" term="%22Software+as+a+service%22">Software as a service</searchLink><br /><searchLink fieldCode="DE" term="%22Simulation+software%22">Simulation software</searchLink><br /><searchLink fieldCode="DE" term="%22Software+architecture%22">Software architecture</searchLink><br /><searchLink fieldCode="DE" term="%22Cloud+computing%22">Cloud computing</searchLink><br /><searchLink fieldCode="DE" term="%22Computer+systems%22">Computer systems</searchLink>
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  Data: Methodology: Mathematica provides unique symbolic and machine learning tools for developing and solving mathematical models that make it attractive for engineering applications. Chemical engineers frequently have a need to update process design software with custom unit operation models. This paper shows two new methods to connect Mathematica to chemical process simulators, including a local PC‐based connection and a cloud‐based connection. Both methods are discussed in detail using an illustrative example of a membrane separation process. We also demonstrate how the connection between Mathematica and Excel facilitates spreadsheet calculations while enabling the connection with the process simulator software. Furthermore, all methods shown here are model‐independent and can be implemented with any equation‐based model or with machine‐learning models when adequate training data is available. Results: Our results show that Mathematica can be connected to chemical process simulators such as CHEMCAD or Aspen Plus. The performance of the methods was evaluated by direct comparison to standard models that already exist in the literature and in the process simulator software. To date, we have experimented with multicomponent flash, well‐mixed membrane calculations and machine‐learning models. However, any model that can be functionalized in Mathematica can be connected to the process simulator. Conclusion: This paper demonstrates that Mathematica can be connected to chemical process simulators such as CHEMCAD and Aspen Plus. This is important because of the symbolic mathematics and machine‐learning tools available in Mathematica. The software can be connected using a local connect with Mathematica Link for Excel, or a cloud‐based connection using Wolfram Cloud Connector. Both methods are relatively easy to implement and are particularly exciting for research and design of new process models, or if one wishes to use CHEMCAD with proprietary models. [ABSTRACT FROM AUTHOR]
– Name: AbstractSuppliedCopyright
  Label:
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  Data: <i>Copyright of Software: Practice & Experience is the property of Wiley-Blackwell and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.)
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RecordInfo BibRecord:
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        Value: 10.1002/spe.3397
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      – Code: eng
        Text: English
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        PageCount: 18
        StartPage: 791
    Subjects:
      – SubjectFull: Mathematica (Computer software)
        Type: general
      – SubjectFull: Machine learning
        Type: general
      – SubjectFull: Engineering models
        Type: general
      – SubjectFull: Software as a service
        Type: general
      – SubjectFull: Simulation software
        Type: general
      – SubjectFull: Software architecture
        Type: general
      – SubjectFull: Cloud computing
        Type: general
      – SubjectFull: Computer systems
        Type: general
    Titles:
      – TitleFull: Augmented and Cloud Computing With Chemical Process Simulators.
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            NameFull: Cowart, Samuel V.
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            – D: 01
              M: 05
              Text: May2025
              Type: published
              Y: 2025
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