Ghasem Nayef
Department of Chemical and Petroleum Engineering, United Arab Emirates University, P.O. Box 15551, Al Ain, UAE.
Sci Rep. 2021 Jan 21;11(1):1984. doi: 10.1038/s41598-021-81406-1.
This work presents the modeling and simulation of CO capture by a water-based Titanium dioxide (TiO) solid nanoparticle in a stirred high-pressure vessel at a constant temperature. Photocatalytic material such as TiO has excellent properties, namely it is nontoxic, inexpensive, and non-polluting. CFD model equations are developed and solved using COMSOL software package. The effect of the concentration of a solid nanoparticle in a water-based TiO solution, the size of TiO nanoparticles and the rate of mixing on the CO absorption rate is investigated. A 2D mathematical model considers both shuttle and micro-convention mechanisms. Results reveal that the best TiO concentration range is between 0.5 and 1 kg/m and that a particle size of 10 nm is more efficient than higher particle sizes. A moderate mixing rate maximizes the CO removal rate. The theoretical predictions are validated using lab experimental data and those in the available literature. Results confirm that the model calculations match with the experimental results. Accordingly, the model successfully predicts the experimental data and can be used for further studies.
本研究展示了在恒温搅拌高压容器中，水性二氧化钛（TiO）固体纳米颗粒捕获CO的建模与模拟。光催化材料如TiO具有优异的性能，即无毒、廉价且无污染。利用COMSOL软件包开发并求解了CFD模型方程。研究了水性TiO溶液中固体纳米颗粒的浓度、TiO纳米颗粒的尺寸以及混合速率对CO吸收速率的影响。二维数学模型考虑了穿梭和微观对流机制。结果表明，最佳TiO浓度范围在0.5至1 kg/m之间，粒径为10 nm比更大粒径更高效。适度的混合速率可使CO去除率最大化。使用实验室实验数据和现有文献中的数据对理论预测进行了验证。结果证实模型计算与实验结果相符。因此，该模型成功预测了实验数据，可用于进一步研究。
