Department of Chemical Engineering, King Saud University, Riyadh, Saudi Arabia.
King Abdulaziz City for Science and Technology, Riyadh, Saudi Arabia.
PLoS One. 2020 Sep 21;15(9):e0239493. doi: 10.1371/journal.pone.0239493. eCollection 2020.
Deep eutectic solvents (DESs) have received significant attention as potential extracting agents in recent years due to their favorable characteristics including low cost, easy preparation and environmentally safe starting materials. Experimentally screening for highly efficient DESs meeting various requirements for natural gas sweetening remains a challenging task. Thus, an extensive database of estimated Henry's law constants (Hi) and solubilities (xi) of CO2 in 170 different DESs at 25°C has been constructed using the COSMO-RS method to select potential DESs. Based on the COSMO-RS study, three DESs, namely tetrabutylammonium bromide (TBAB)+polyethylene glycol (PEG-8) (on a molar basis 1:4), TBAB+octanoic acid (OCT) (1:4), and methyltriphenylphosphonium bromide (MTPB)+PEG-8 (1:10), were chosen for further experimentation up to 2 bar at 25°C using a vapor-liquid equilibria (VLE) apparatus. Reliable thermophysical properties were determined experimentally, and a detailed equilibrium-based model was developed for one of the glycol-based DESs (i.e., TBAB+PEG-8 (1:4)). This information is an essential prerequisite for carrying out process simulations of natural gas sweetening plants using ASPEN PLUS. The simulation results for the proposed DES were compared to those of monoethylene glycol (MEG). Here, we find that the aqueous TBAB+PEG-8 (1:4) solvent shows ~60% lower total energy consumption and higher CO2 removal when compared to those using the MEG solvent.
近年来,由于具有成本低、制备简单、起始材料环境安全等优点,深共晶溶剂(DESs)作为潜在的提取剂受到了广泛关注。实验筛选出满足天然气脱硫各种要求的高效 DES 仍然是一项具有挑战性的任务。因此,使用 COSMO-RS 方法构建了一个包含 170 种不同 DES 在 25°C 时的二氧化碳亨利定律常数(Hi)和溶解度(xi)的广泛数据库,以选择潜在的 DES。基于 COSMO-RS 研究,选择了三种 DES,即四丁基溴化铵(TBAB)+聚乙二醇(PEG-8)(摩尔比为 1:4)、TBAB+辛酸(OCT)(1:4)和甲基三苯基溴化膦(MTPB)+PEG-8(1:10),在 25°C 下使用汽液平衡(VLE)装置进一步实验至 2 巴。通过实验确定了可靠的热物理性质,并为基于二醇的 DES 之一(即 TBAB+PEG-8(1:4))开发了详细的基于平衡的模型。这是使用 ASPEN PLUS 对天然气脱硫装置进行过程模拟的必要前提。对所提出的 DES 的模拟结果与单乙二醇(MEG)的结果进行了比较。在这里,我们发现与使用 MEG 溶剂相比,水性 TBAB+PEG-8(1:4)溶剂的总能耗降低了约 60%,二氧化碳去除率更高。