An equation-based batch distillation simulation to evaluate the effect of multiplicities in thermodynamic activity coefficients
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arXiv
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| Auteurs principaux: | , , , |
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| Format: | Preprint |
| Publié: |
2025
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| _version_ | 1866911024723001344 |
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| author | Werner, Jennifer Schmid, Jochen Biegler, Lorenz T. Bortz, Michael |
| author_facet | Werner, Jennifer Schmid, Jochen Biegler, Lorenz T. Bortz, Michael |
| contents | In this paper, we investigate the influence of multiplicities in activity coefficients on batch distillation processes. In order to do so, we develop a rigorous simulation of batch distillation processes based on the MESH equations. In particular, we propose a novel index reduction method to transform the original index-$2$ system into a well-posed differential-algebraic system of index $1$. With the help of this simulation, we then explore whether the alternative NRTL parameters, which yield indistinguishable activity coefficients and VLE diagrams when compared to the reference data, can produce distinguishable profiles in dynamic simulations. As it turns out, this can happen in general and we explain the reasons behind the dynamic distinguishability. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2506_21483 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | An equation-based batch distillation simulation to evaluate the effect of multiplicities in thermodynamic activity coefficients Werner, Jennifer Schmid, Jochen Biegler, Lorenz T. Bortz, Michael Optimization and Control In this paper, we investigate the influence of multiplicities in activity coefficients on batch distillation processes. In order to do so, we develop a rigorous simulation of batch distillation processes based on the MESH equations. In particular, we propose a novel index reduction method to transform the original index-$2$ system into a well-posed differential-algebraic system of index $1$. With the help of this simulation, we then explore whether the alternative NRTL parameters, which yield indistinguishable activity coefficients and VLE diagrams when compared to the reference data, can produce distinguishable profiles in dynamic simulations. As it turns out, this can happen in general and we explain the reasons behind the dynamic distinguishability. |
| title | An equation-based batch distillation simulation to evaluate the effect of multiplicities in thermodynamic activity coefficients |
| topic | Optimization and Control |
| url | https://arxiv.org/abs/2506.21483 |