Geopolymer foams (GPFs) are promising materials for heavy-metal-containing wastewater treatment. However, because of the diversity of precursors and the complex application environments, it is challenging to balance the processing and application performances. Herein, a “simplex-centroid” mixture design method was explored to optimize the performances and establish relationships between the precursors, microstructure, and molecular structure. Further, according to the design performance and rheological limitations of the foaming system, an optimal component was selected to fabricate a GPF using chemical foaming. The fabricated GPF exhibited a high compressive strength (0.86 MPa) and high open porosity (∼86%) with uniform pores with diameters of 0.1–1.2 mm. Pb2+, Cu2+, and Ni2+ static adsorption capacities of 112.8, 64.9, and 40.2 mg/g, respectively, were achieved. The combination of simplex-centroid method and chemical foaming is effective for optimizing the processing and application performances of GPF, and could be beneficial for future large-scale manufacturing of GPFs for water-treatment applications.
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