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We present FactFlowFactFlow, a thermochemistry-powered flowsheeting tool that embeds full multiphase equilibrium (via FactSage)FactSage and couples the results to life-cycle inventories for rapid, multi-indicator screening. As a demonstration, mixed 2xxx/7xxx Al scrap is treated in three stages: (1) chlorination (Cl \(_{2}\) /Ar) converting Mg to MgCl \(_{2}\) , (2) Zn removal by Ar high-temperature sparging, and (3) dilution with primary Al to meet 100 ppmw specifications on Mg, Zn, Fe, and Cu. For each operating scenario, FactFlowFactFlow computes the stream totals and applies life-cycle factors (queried through openLCA) to obtain the energy and CO \(_{2}\) intensities. A grid of 105,000 scenarios (Cl \(_{2}\) fraction, Zn-stage temperature, Ar usage, electric vs. natural gas heating) was ranked using two normalized indicators: the Energy Processing Performance Index (EPPI)Energy Processing Performance Index (EPPI) and the CO \(_{2}\) Processing Performance Index (CPPI)CO Processing Performance Index (CPPI). The results show that the dominant contributor to both energy demand and CO \(_{2}\) is the primary Al required for dilution; this burden is minimized by near-stoichiometric chlorination for Mg, high Zn-stage temperature with modest Ar, and, where available, low-carbon electricity. This study demonstrates how full-equilibrium thermodynamics integrated with LCALife Cycle Assessment (LCA) can guide process choices toward lower energy use and emissions in sustainable metallurgySustainable metallurgy.

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A New Thermodynamic Process-Simulation Tool for Sustainable Metallurgy Integrating LCA and Optimization with FactFlow

  • 会议论文

  • 发表日期：

    2026年

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  • Kentaro Oishi,
  • Kyota Poëti,
  • Daniel Wei,
  • Khloé Le Boulanger,
  • Patrice Chartrand,
  • Jean-Philippe Harvey

摘要

We present FactFlowFactFlow, a thermochemistry-powered flowsheeting tool that embeds full multiphase equilibrium (via FactSage)FactSage and couples the results to life-cycle inventories for rapid, multi-indicator screening. As a demonstration, mixed 2xxx/7xxx Al scrap is treated in three stages: (1) chlorination (Cl \(_{2}\) /Ar) converting Mg to MgCl \(_{2}\) , (2) Zn removal by Ar high-temperature sparging, and (3) dilution with primary Al to meet 100 ppmw specifications on Mg, Zn, Fe, and Cu. For each operating scenario, FactFlowFactFlow computes the stream totals and applies life-cycle factors (queried through openLCA) to obtain the energy and CO \(_{2}\) intensities. A grid of 105,000 scenarios (Cl \(_{2}\) fraction, Zn-stage temperature, Ar usage, electric vs. natural gas heating) was ranked using two normalized indicators: the Energy Processing Performance Index (EPPI)Energy Processing Performance Index (EPPI) and the CO \(_{2}\) Processing Performance Index (CPPI)CO Processing Performance Index (CPPI). The results show that the dominant contributor to both energy demand and CO \(_{2}\) is the primary Al required for dilution; this burden is minimized by near-stoichiometric chlorination for Mg, high Zn-stage temperature with modest Ar, and, where available, low-carbon electricity. This study demonstrates how full-equilibrium thermodynamics integrated with LCALife Cycle Assessment (LCA) can guide process choices toward lower energy use and emissions in sustainable metallurgySustainable metallurgy.