Sylwia Freza

Counterion Structure Tunes Cetyltrimethylammonium Association in Water: Thermodynamics and Weak-Contact Networks

Abstract The role of counterion structure in the stability and interaction mechanisms of cetyltrimethylammonium ion pairs was investigated by employing isothermal titration calorimetry (ITC), molecular dynamics simulations, and quantum-chemical calculations. Alkyl sulfate anions...