COMPUTER-SIMULATION FOR THE PREDICTION OF SEPARATION AS A FUNCTION OF PH FOR REVERSED-PHASE HIGH-PERFORMANCE LIQUID-CHROMATOGRAPHY .1. ACCURACY OF A THEORY-BASED MODEL

被引:118
作者
LEWIS, JA
LOMMEN, DC
RADDATZ, WD
DOLAN, JW
SNYDER, LR
MOLNAR, I
机构
[1] LC RESOURCES INC,2930 CAMINO DIABLO,WALNUT CREEK,CA 94596
[2] INST ANGEW CHROMATOGR,BERLIN,GERMANY
来源
JOURNAL OF CHROMATOGRAPHY | 1992年 / 592卷 / 1-2期
基金
美国国家卫生研究院;
关键词
D O I
10.1016/0021-9673(92)85085-8
中图分类号
O65 [分析化学];
学科分类号
070302 ; 081704 ;
摘要
Computer simulation software (DryLab I/mp) is described for predicting high-performance liquid chromatographic separation as a function of changes in mobile phase pH. Three experimental runs with pH (only) varied are used to derive values of pK(a) plus capacity factors (k') for the ionized and non-ionized form of each ionizable solute. Various tests of the experimental data then allow classification of each solute as acidic, basic, neutral (including strong or weak acids or bases) and amphoteric. Experimental data are reported for the separation of several substituted anilines as a function of pH and solvent composition (%B). Experimental requirements for the accurate prediction of separation (ca. +/- 2-4% in alpha) as a function of pH are discussed. The reliability of the software is demonstrated for three different samples: mixtures of (a) substituted benzoic acids, (b) substituted anilines and (c) catecholamine-related compounds.
引用
收藏
页码:183 / 195
页数:13
相关论文
共 23 条
  • [1] OPTIMIZATION OF REVERSE-PHASE LIQUID-CHROMATOGRAPHIC SEPARATION OF WEAK ORGANIC-ACIDS
    DEMING, SN
    TUROFF, MLH
    [J]. ANALYTICAL CHEMISTRY, 1978, 50 (04) : 546 - 548
  • [2] HIGH-PERFORMANCE LIQUID-CHROMATOGRAPHIC COMPUTER-SIMULATION BASED ON A RESTRICTED MULTIPARAMETER APPROACH .1. THEORY AND VERIFICATION
    DOLAN, JW
    LOMMEN, DC
    SNYDER, LR
    [J]. JOURNAL OF CHROMATOGRAPHY, 1990, 535 (1-2): : 55 - 74
  • [3] Glajch J. L, 1990, COMPUTER ASSISTED ME
  • [4] OPTIMIZATION OF SOLVENT STRENGTH AND SELECTIVITY FOR REVERSED-PHASE LIQUID-CHROMATOGRAPHY USING AN INTERACTIVE MIXTURE-DESIGN STATISTICAL TECHNIQUE
    GLAJCH, JL
    KIRKLAND, JJ
    SQUIRE, KM
    MINOR, JM
    [J]. JOURNAL OF CHROMATOGRAPHY, 1980, 199 (OCT): : 57 - 79
  • [5] HAMMETT PL, 1940, PHYSICAL ORGANIC CHE, P188
  • [6] DEPENDENCE OF THE RETENTION OF PYRAZOLIDINE-3,5-DIONES ON ELUENT PH IN REVERSED-PHASE HIGH-PERFORMANCE LIQUID-CHROMATOGRAPHY
    HERRENKNECHT, C
    IVANOVIC, D
    GUERNETNIVAUD, E
    GUERNET, M
    [J]. JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS, 1990, 8 (8-12) : 1071 - 1074
  • [7] LIQUID-CHROMATOGRAPHY OF IONOGENIC SUBSTANCES WITH NONPOLAR STATIONARY PHASES
    HORVATH, C
    MELANDER, W
    MOLNAR, I
    [J]. ANALYTICAL CHEMISTRY, 1977, 49 (01) : 142 - 154
  • [8] KARGER BL, 1980, HIGH PERFORMANCE LIQ, V1, P113
  • [9] IMPROVED SILICA-BASED COLUMN PACKINGS FOR HIGH-PERFORMANCE LIQUID-CHROMATOGRAPHY
    KOHLER, J
    KIRKLAND, JJ
    [J]. JOURNAL OF CHROMATOGRAPHY, 1987, 385 : 125 - 150
  • [10] COMPREHENSIVE CHARACTERIZATION OF SOME SILICA-BASED STATIONARY PHASES FOR HIGH-PERFORMANCE LIQUID-CHROMATOGRAPHY
    KOHLER, J
    CHASE, DB
    FARLEE, RD
    VEGA, AJ
    KIRKLAND, JJ
    [J]. JOURNAL OF CHROMATOGRAPHY, 1986, 352 : 275 - 305