Performance driven density functional theory insights into functional group dependent calcium ion complexation mechanisms of cement retarders

Key Points

• Calcium ion complexation mechanisms are influenced by functional groups present in cement retarders, indicating their varying effectiveness.
• Key findings reveal that specific functional groups enhance complexation, potentially improving retarder performance in cement.
• Analysis utilizes density functional theory to examine interactions at a molecular level, providing critical insights into material behavior.
• Understanding these mechanisms supports the development of more efficient and reliable cement mixtures in construction.