Coupled thermal analysis and thermodynamic modeling of the oxide systems containing P2O5 and CaF2

含 P2O5 和 CaF2 的氧化物体系的耦合热分析和热力学建模

• 批准号: 381693-2009
• 负责人: Jung, InHo
• 金额: $ 2.33万
• 依托单位: McGill University
• 依托单位国家: 加拿大
• 项目类别: Collaborative Research and Development Grants
• 财政年份: 2011
• 资助国家: 加拿大
• 起止时间: 2011-01-01 至 2012-12-31
• 项目状态: 已结题
• 来源: https://www.nserc-crsng.gc.ca/ase-oro/Details-Detailles_eng.asp?id=484956
• 关键词: Coupled; thermal; analysis; thermodynamic; modeling

In this proposed 3-year project, in collaboration with one Canadian company (Danieli-Corus) and two South Korean partners (POSCO and RIST), we will investigate the phase equilibria of oxides containing P2O5 and CaF2 in order to better understand their phase diagrams and complex chemical reactions. The two oxide systems investigated in the present study are the CaO-SiO2-FeO-Fe2O3-P2O5 and the CaO-SiO2-Al2O3-Na2O-CaF2-NaF. Experimental data for these systems are still not sufficient and are often quite inconsistent with each other. The proposed project will use a coupled experimental and thermodynamic modeling technique to save time and reduce research cost. Phase equilibrium experiments under controlled gas atmosphere will be performed using various methods such as a classical quenching technique, DTA, DSC and TGA followed by the XRD and EPMA phase analyses. In the same time, a thermodynamic modeling will be performed to provide new experimental directions. In the final stage, the Gibbs energy model parameters for all phases will be simultaneously optimized to reproduce all reliable experimental data. The resultant computational model parameters will be combined with the currently available FACT oxide database to predict the complex phase equilibria and chemical reactions occurring in the industrial steelmaking processes. The industrial partners will also provide valuable in-house experimental data and evaluate the accuracy of the thermodynamic calculations compared with their own experimental data. Feedback from the partners will enhance the accuracy of the thermodynamic modeling. Results of the project will be applied to the optimization of the current processes and new mold flux design in steelmaking. The knowledge of the project will contribute to the quality improvement of advanced high strength steel for automotive applications. At a larger scale, this study will be useful to the general pyrometallurgy, cement, glassmaking and combustion industries as well as to the geological community.

在这个为期3年的项目中，我们将与一家加拿大公司（Danieli-Corus）和两家韩国合作伙伴（POSCO和RIST）合作，研究含有P2 O 5和CaF 2的氧化物的相平衡，以更好地了解它们的相图和复杂的化学反应。本文研究的两个氧化物体系是CaO-SiO_2-FeO-Fe_2 O_3-P_2 O_5和CaO-SiO_2-Al_2 O_3-Na_2 O-CaF_2-NaF。这些系统的实验数据仍然是不够的，往往是相当不一致的彼此。拟议的项目将使用耦合实验和热力学建模技术，以节省时间，降低研究成本。在受控气体气氛下进行相平衡实验，使用各种方法，如经典的淬火技术，DTA，DSC和TGA，然后进行XRD和EPMA相分析。同时，热力学模型将进行提供新的实验方向。在最后阶段，将同时优化所有相的吉布斯能模型参数，以重现所有可靠的实验数据。所得的计算模型参数将与目前可用的FACT氧化物数据库相结合，以预测复杂的相平衡和化学反应发生在工业炼钢过程中。工业合作伙伴还将提供有价值的内部实验数据，并与他们自己的实验数据进行比较，评估热力学计算的准确性。来自合作伙伴的反馈将提高热力学建模的准确性。研究结果将应用于炼钢生产中现有工艺的优化和新型保护渣的设计。该项目的知识将有助于提高汽车应用的先进高强度钢的质量。在更大的范围内，这项研究将有助于一般的火法冶金，水泥，玻璃制造和燃烧工业以及地质界。