Analysis of Hydroxide Sorbents for CO2 Capture from Warm Syngas
Analysis of Hydroxide Sorbents for CO2 Capture from Warm Syngas
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DOI：
10.1021/ie300189a
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发表时间：
2012-10-17
影响因子：
4.2
通讯作者：
Green, William H.
中科院分区：
文献类型：
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作者：
Couling, David J.;Das, Ujjal;Green, William H.
具有CO2捕集和封存功能的整体煤气化联合循环（IGCC）是一种很有前途的CO2减排技术。已经预测热CO2去除使得CO2捕获过程更有效。在这里，我们调查的效率处罚与CO，去除通过变压吸附（PSA）过程中使用金属氢氧化物吸附剂在升高的温度。我们使用MATLAB中构建的数值模型，并将其与白杨Plus过程模拟相结合。我们将这些模型应用于一般的金属氢氧化物的吸附焓和真实的金属氢氧化物的密度泛函理论（DFT）计算确定。我们表明，具有15和20 kJ/mol之间的吸附焓的结果在PSA过程中，给出了一个整体的IGCC-CCS的效率，是有竞争力的传统的IGCC-CCS过程中使用（冷）Selexol。预计20 kJ/mol的吸附焓是最有利的，因为它产生了HHV效率和更高的工作容量的有希望的组合。此外，我们确定Fe（OH）（2）、Co（OH）（2）、Ni（OH）（2）和Zn（OH）为潜在有利的真实的材料，IGCC-CCS效率预计在Selexol的196 HHV范围内。
Integrated gasification combined cycle (IGCC) with CO2 capture and sequestration (CCS) is a promising technology to efficiently mitigate the emission of CO2. Warm CO2 removal has been predicted to make the CO, capture process more efficient. Here, we investigate the efficiency penalties associated with CO, removal via a pressure swing adsorption (PSA) process using metal hydroxide sorbents at elevated temperature. We use numerical models constructed in MATLAB and integrate these with Aspen Plus process simulations. We apply these models to both general metal hydroxides of variable enthalpy of adsorption and real metal hydroxides identified using density functional theory (DFT) calculations. We show that having an enthalpy of adsorption between 15 and 20 kJ/mol results in a PSA process that gives an overall IGCC-CCS efficiency that is competitive with the conventional IGCC-CCS process using (cold) Selexol. An enthalpy of adsorption of 20 kJ/mol is predicted to be the most favorable because it yielded a promising combination of HHV efficiency and higher working capacity. In addition, we identify Fe(OH)(2), Co(OH)(2), Ni(OH)(2), and Zn(OH), as potentially favorable real materials, with IGCC-CCS efficiencies predicted to be within 196 HHV of that of Selexol.