
| [192190] |
| Title: Reproducibility of GPU-based Large Eddy Simulations for mixing in stirred tank reactors. |
| Written by: Rautenbach, R.; Maldonado de León, H.; Brorens, P.; Schlüter, M.; Haringa, C.; |
| in: <em>Computers and Chemical Engineering</em>. March (2026). |
| Volume: <strong>210</strong>. Number: |
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| DOI: 10.1016/j.compchemeng.2026.109615 |
| URL: https://doi.org/10.1016/j.compchemeng.2026.109615 |
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Abstract: CFD simulations are widely used to quantify the mixing performance of stirred tanks for various applications in chemical engineering and biotechnology. Due to advances in GPU computing, these simulations increasingly employ Large Eddy Simulation (LES), which explicitly resolves the dynamics of large-scale turbulence. Although such simulations are fully deterministic and therefore theoretically reproducible, small numerical variations induced by round-off errors, floating-point arithmetic, and differences in the distribution and ordering of operations in parallel computing lead to separation of trajectories, resulting in run-to-run variability in predicted mixing times. This work investigates the impact of repeated simulations on the mixing-time distribution observed in a 30 L stirred tank reactor using two commercial CFD packages. The results demonstrate that numerical variability is of comparable magnitude to the experimental spread, highlighting the necessity to treat LES-derived metrics as statistical ensembles rather than deterministic values.