The large amounts of ammonia emissions generated from industrial production have caused serious environmental pollution problems, such as soil acidification, eutrophication, the formation of fine particles and changes in the global greenhouse balance, and also greatly endanger human health. At present, effectively reducing ammonia emissions or recovering ammonia is still a huge challenge. Ionic liquids (ILs) as a new class of green solvent have been introduced for ammonia absorption with great potential, but a huge number on combination systems of ILs lead to the difficulty of measuring the ammonia solubility in all ILs by experiments (e.g., danger and cost). Hereby, this study proposed a novel approach for estimating the ammonia solubility in different ILs. A predictive model was developed based on the novel Algorithm - extreme learning machine (ELM) and the molecular descriptors of electrostatic potential surface areas (SEP) as input parameters. Besides, 502 data points of ammonia solubility in 17 ILs were gathered with a wide range of pressure and temperature. For the total set, the determination coefficient (R2) and the average absolute relative deviation (AARD) of the developed model were 0.9937 and 2.95%, respectively. The regression plots revealed good consistency between predictive and experimental data points. Results show the good performance and reliability of the developed model, indicating that the proposed approach can be potentially applied for screening reasonable ILs to absorb ammonia from chemical industry processes.

Department of Applied Ecology Faculty of Environmental Sciences Czech University of Life Sciences Prague 16500 Prague 6 Czech Republic

Department of Chemical Engineering University of California Santa Barbara CA 93106 5080 USA

The Key Laboratory of Biotechnology for Medicinal Plants of Jiangsu Province Jiangsu Normal University Shanghai Road 101 221116 Xuzhou China

The Key Laboratory of Biotechnology for Medicinal Plants of Jiangsu Province Jiangsu Normal University Shanghai Road 101 221116 Xuzhou China; Department of Applied Ecology Faculty of Environmental Sciences Czech University of Life Sciences Prague 16500 Prague 6 Czech Republic

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