Bunsen section thermodynamic model for hydrogen production by the sulfur–iodine cycle
Bunsen section thermodynamic model for hydrogen production by the sulfur–iodine cycle
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DOI：
10.1016/j.ijhydene.2009.06.022
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发表时间：
2009-08
影响因子：
7.2
通讯作者：
M. Hadj-Kali;V. Gerbaud;P. Lovera;O. Baudouin;P. Floquet;X. Joulia;J. Borgard;P. Carles
中科院分区：
文献类型：
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作者：
M. Hadj-Kali;V. Gerbaud;P. Lovera;O. Baudouin;P. Floquet;X. Joulia;J. Borgard;P. Carles
本文提出了硫-碘热化学循环本生段的一个模型，其中二氧化硫与过量的水和碘反应，在平衡状态下产生两个分层的液态水相（富H2SO 4和富HI）。考虑到温和的温度和压力条件，采用UNIQUAC活度系数模型结合Engels溶剂化模型。完整的模型进行了讨论，HI溶剂化水和碘以及H2SO 4溶剂化水，导致一个非常高的复杂性，近百个参数估计从实验数据。考虑到水分过剩，在定义新的表观物种后，提出了一个成功的简化模型，只有15个参数。酸的总解离和总H+被水溶剂化是主要的假设。结果表明，在25°C和120°C之间与已发表的实验数据吻合良好。
A model for the Bunsen section of the Sulfur–Iodine thermo-chemical cycle is proposed, where sulfur dioxide reacts with excess water and iodine to produce two demixing liquid aqueous phases (H2SO4rich and HI rich) in equilibrium. Considering the mild temperature and pressure conditions, the UNIQUAC activity coefficient model combined with Engels' solvation model is used. The complete model is discussed, with HI solvation by water and by iodine as well as H2SO4solvation by water, leading to a very high complexity with almost hundred parameters to be estimated from experimental data. Taking into account the water excess, a successful reduced model with only 15 parameters is proposed after defining new apparent species. Acids total dissociation and total H+solvation by water are the main assumptions. Results show a good agreement with published experimental data between 25°C and 120°C.