This work selected dipropylene glycol (DPG) as the hydrogen bond donors to amalgamate with 1, 2-propylenediamine (1,2-PDA) as hydrogen bond acceptors, and introduced water into this system, adjusting the molar ratios of components to modulate the physicochemical properties of deep eutectic solvents. The discourse commences with the fundamental exploration of solution density and viscosity, delving into the microscopic principles of intermolecular interactions, and scrutinizing factors mitigating amine loss in the process of CO2 sequestration. Optimizing the performance of amine solutions by introducing alcohol substances and subsequently incorporating water to enhance their CO2 absorption capacity is undertaken. Based on the measured density and viscosity data of (DPG + 1,2-PDA) + H2O, fitting and molecular simulation calculations are performed to ascertain the most potent binding forms. Hydrogen nuclear magnetic resonance, Raman, and Fluorescence spectral analyses were also carried out to demonstrate the presence of intermolecular hydrogen bonding in the form of –OH···N(H2)- between DPG and 1,2-PDA. Ultimately, the solution undergoes CO2 absorption capacity determination to assess its absorptive efficacy.