Toward a Quantitative Model and Prediction of the Cloud Point of Normal Nonionic Surfactants and Novel Gemini Surfactants with Heuristic Method and Gaussian Process
Abstract:A systematic study of integrating statistical modeling and experimental analysis to investigate the cloud point (CP) and environmental risk of 82 structurally diverse nonionic surfactants is performed. During this procedure, the structural profiles of the studied compounds are characterized using hydrophilic domain and the whole molecular. Hundreds of descriptors, including constitutional, topological, geometrical, and electrostatic were calculated by the CODESSA program, and the resulting variables of the cha… Show more
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