摘要
把分子结构和分子、离子静电作用力作为影响溶质保留值和选择性的基本点,提出了液相色谱专家系统柱系统推荐的基本规则,由此可以从溶质所包含的基团或官能团的信息进行色谱柱系统推荐。为了验证这些规则的正确性,应用几类常用的或典型的样品从分子结构通道进行液相色谱柱系统推荐,获得满意的结果。
Rules have been suggested for recommendation of column system in HPLC expert system,on the basis of retention time and selectivity of solutes which are influenced by molecular st-ructure and electrostatic force of molecule and ion. By these rules the column system, e. g.separation modes, the mobile and stationary phases and the additive reagent, can be recommen-ded. Five typical samples have been used to validate thede rules with succesful results.
基金
国家自然科学基金
关键词
液相色谱
专家系统
柱系统
Expert system
High performance liquid chromatography recommendation of column system. Molecular structure
