Coupling thermodynamic modelling with experimental study to reveal the evolutionary relationship of pore solutions, products, and compressive strength for lunar regolith simulant geopolymers

Alkali-activation is a highly promising approach for the in situ resource utilisation (ISRU) of lunar regoliths. However, the considerable variation in the composition of lunar regolith simulants can complicate the optimal design of geopolymer mixture ratios, necessitating an in-depth analysis of composition–performance correlations. This study proposes a calculation method that couples thermodynamic modelling with an experimental study to reveal the evolutionary relationship between the pore solution, product formation, and compressive strength. The results indicate that the modulus and dosage of the alkali activator can substantially change the relative content of reactive elements in the pore solution and affect the product type and content. Among these, [Si] and [Al] in the pore solution and gel production are key factors affecting the compressive strength of geopolymers. Understanding these composition–performance relationships is critical for offering essential guidance for performance-based, on-demand material design and optimisation.