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首页> 外文会议>Ninth international conferece on molten slags, fluxes and salts >A thermodynamic optimization of “Cu2O”-containing slags systems
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A thermodynamic optimization of “Cu2O”-containing slags systems

机译：含“ Cu2O”的炉渣系统的热力学优化

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Prediction of phase equilibria and thermodynamics of complex copper smelting, converting and cleaning slag system is essential for further improvements in industrial operations. The previously existing chemical thermodynamic database for the system is being improved as part of the overall integrated research program on complex copper slag-matte-metal-solids systems combining experimental and thermodynamic modeling studies. Computerized thermodynamic database for the liquid slag and solid oxide phases for the "Cu2O"-Al2O3-CaO-FeO-Fe2O3-MgO-SiO2-S system at conditions of equilibrium with metallic copper is further improved by critical evaluation/optimization of all previous available phase diagram-thermodynamic data and new experimental data that have been deliberately characterized in PYROSEARCH-UQ to support the present thermodynamic optimization work. The database contains parameters of models for the molten slag and solid oxide solutions such as olivine, melilite, pyroxene, monoxide, spinel, etc. The Bragg-Williams and Modified Quasi-chemical models are used to describe the Gibbs free energy of the molten slag solution. Model parameters are derived by the optimization process to reproduce all thermodynamic and phase diagram data within experimental error limits. All binary, ternary and higher order Cu-oxide-containing sub-systems are optimized simultaneously to obtain a self-consistent set of model parameters. This results in a significant improvement in the predictive ability of the computer model. The models permit extrapolation into regions of temperature and composition where experimental data are not available. Details of the recent thermodynamic optimization of the investigated system are presented. The thermodynamic database is automatically accessed by FactSage software that calculates complex multi-component, multi-phase equilibria involving simultaneously slag, metal, solid and gas phases over wide ranges of temperatures and oxygen partial pressures. The ability to calculate and predict the phase equilibria, partitioning of major and minor elements between phases, activities, vapor pressure, and other thermodynamic properties over a wide range of process conditions in copper production can enable informed decision to be made in relation to the optimum slag compositions, fluxing strategies, and operating conditions in copper smelting, converting, and slag cleaning processes for given feed and product requirement. Industrial application of the database for the copper metallurgical process is discussed.
机译：复杂的铜冶炼，转化和清洁炉渣系统的相平衡和热力学预测对于进一步改善工业生产至关重要。该系统的现有化学热力学数据库正在完善，作为结合实验和热力学模型研究的复杂铜渣-磨砂-金属-固体系统整体集成研究计划的一部分。通过严格评估/优化所有先前可用的方法，进一步改善了与金属铜平衡的条件下“ Cu2O” -Al2O3-CaO-FeO-Fe2O3-MgO-SiO2-S系统的液态炉渣和固态氧化物相的计算机热力学数据库相图-热力学数据和新的实验数据已在PYROSEARCH-UQ中刻意表征，以支持当前的热力学优化工作。该数据库包含熔融炉渣和固态氧化物溶液（例如橄榄石，橄榄石，辉石，一氧化碳，尖晶石等）的模型参数。使用Bragg-Williams模型和改良的拟化学模型描述熔融炉渣的吉布斯自由能解。通过优化过程得出模型参数，以重现实验误差范围内的所有热力学和相图数据。同时优化所有二元，三元和更高阶含铜氧化物子系统，以获得一组自洽的模型参数。这导致计算机模型的预测能力显着提高。该模型允许外推到没有实验数据的温度和成分区域。介绍了最新的热力学优化研究系统的详细信息。 FactSage软件可自动访问热力学数据库，该软件可计算复杂的多组分，多相平衡，同时涉及在宽范围的温度和氧气分压范围内的炉渣，金属，固相和气相。计算和预测相平衡的能力，在铜生产中广泛的工艺条件下在相，活度，蒸气压和其他热力学性质之间分配主要元素和次要元素的能力，可以根据最佳条件做出明智的决定。给定的进料和产品要求时，在铜的冶炼，转化和除渣过程中的炉渣成分，助熔剂策略和操作条件。讨论了该数据库在铜冶炼过程中的工业应用。

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