基于gE型Patel-Teja状态方程的碳捕集物理吸收相平衡模型研究OA
Study on phase equilibrium model of physical absorption for carbon capture based on gE type Patel-Teja equation of state
在"双碳"目标的引领下,碳捕集技术作为应对气候变化、减少温室气体排放的重要策略,受到学术界和工业界的广泛关注.目前,碳捕集技术已应用于多个领域,如燃烧前碳捕集、沼气分离、生物质气化等.其中,物理溶剂法广泛应用于CO2捕集,通过建立通用且可靠的热力学模型,优化气液相平衡,对于过程模拟和经济分析是必要的.基于gE型Patel-Teja三参数状态方程,结合Kurihara混合规则和Nonrandom-Two-Liquid(NRTL)活度系数模型,提出了一种气液相平衡模型,应用于准确描述燃烧前碳捕集、沼气提纯和生物质气化过程中的物理吸收脱碳性能.通过对不同气体(CO2、H2、H2S、CH4)在甲醇、NMP、PC和水四种常用物理溶剂中的溶解度实验数据进行回归,拟合得到模型中的二元交互作用参数,所得误差均在10%以内,之后预测了多元混合气的溶解相平衡,验证了在高压工况下的模型可靠性与计算精度.结果表明:该模型不仅能有效预测单一气体的溶解度,还能准确预测多元混合气体的相平衡;在中高压燃烧前碳捕集、沼气脱碳和生物质气化过程中具有较高的应用价值.所提出的模型可为优化工业碳捕集、沼气提纯工艺和生物质气化提供理论参考与技术支持.
Under the guidance of the"dual carbon"goals,carbon capture technology has garnered widespread attention from both academia and industry as a critical strategy to address climate change and reduce greenhouse gas emissions.Currently,carbon capture technology is applied in vari-ous fields,such as pre-combustion carbon capture,biogas purification,and biomass gasification.Among these,physical solvent methods are widely used for CO2 capture.Developing a universal and reliable thermodynamic model to optimize gas-liquid phase equilibrium is essential for process simula-tion and economic analysis.This paper proposes a gas-liquid phase equilibrium model based on the gE-type Patel-Teja three-parameter equation of state,combined with the Kurihara mixing rule and the Nonrandom-Two-Liquid(NRTL)activity coefficient model,to accurately describe the physical absorption decarbonization performance in pre-combustion carbon capture,biogas purification,and biomass gasification processes.By regressing the solubility experimental data of different gases(CO2,H2,H2S,CH4)in four common physical solvents—methanol,NMP,PC,and water—the binary interaction parameters of the model were fitted,and the errors were within 10%.The model was then used to predict the gas-liquid phase equilibrium of multi-component mixtures,confirming its reliability and calculation accuracy under high-pressure conditions.The results show that the model not only effectively predicts the solubility of single gases but also accurately predicts the phase equilibrium of multi-component gas mixtures,demonstrating high application value in pre-combustion carbon cap-ture,biogas decarbonization,and biomass gasification under medium and high pressures.The pro-posed model provides a theoretical basis and technical support for optimizing industrial carbon capture,biogas purification processes,and biomass gasification.
张二小;张文媛;武芸竹;刘刚;吴桂选
太原理工大学化学与化工学院,030024 太原||中国科学院山西煤炭化学研究所煤炭高效低碳利用全国重点实验室,030001 太原中国科学院山西煤炭化学研究所煤炭高效低碳利用全国重点实验室,030001 太原太原理工大学化学与化工学院,030024 太原||中国科学院山西煤炭化学研究所煤炭高效低碳利用全国重点实验室,030001 太原太原理工大学化学与化工学院,030024 太原中国科学院山西煤炭化学研究所煤炭高效低碳利用全国重点实验室,030001 太原
化学化工
碳捕集技术气液平衡Patel-Teja状态方程Kurihara混合规则Nonrandom-Two-Liquid活度系数模型
carbon capture technologygas-liquid equilibriumPatel-Teja equation of stateKurihara mixing ruleNonrandom-Two-Liquid activity coefficient model
《煤炭转化》 2026 (2)
43-57,15
国家重点研发计划项目(2023YFB4203800)和中国科学院前瞻战略科技先导专项项目(A类先导专项)(XDA0390502)
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