Effect of H/D isotope substitution on the structure-packing and interaction-related properties of water as a solute in tetramethylurea at T = (278.15 to 318.15) K and p = 0.1 MPa

Key Points

• Isotope substitution significantly impacts water structure and interaction properties in tetramethylurea, demonstrating changes across temperatures.
• The study reports that varying temperatures, specifically between 278.15 K and 318.15 K, influence solvation and hydrogen bonds in the solution.
• Analysis of solute interactions indicates that the different isotopes modify packing in the solvent, potentially affecting reaction dynamics.
• Understanding these changes may provide insights into solvent behavior crucial for various chemical processes.