[摘要]：Molecular interaction energy (MI) values calculated by molecular mechanics (MM2) using a model graphitic carbon phase were used to study the specificity of a graphitic carbon column. The analytes were positional isomers of aromatic polar compounds. The log k values were measured using buffered aqueous eluents. The MI values did not correlate with the log k values measured on a graphitic carbon synthesized using silica matrix. The log k values correlated well with the hydrogen bonding energy values calculated using the model silica and carbon phases. The log k values correlated well with MI values calculated using the model silica phase. The graphitic carbon column demonstrated properties of both graphitic carbon and silica gel. |
