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Analytical Computations and Introduction to Chemometrics

Class at Faculty of Science |
MC230P37

Syllabus

Lecture part:

Analytical problems and errors. Probability theory. Errors in classical analysis. Propagation of errors. Basic data distributions. Significance one- and two-tailed testing. Hypothesis testing. Errors in instrumental methods. Least squares regression and correlation. Calibration and fitting methods. Non-parametric testing. Quality control. Sampling. Experimental design. Multivariate statistical problems.

Seminar part:

Equation solving. Titration stoichiometry of redox, acid-base, complex and precipitation reactions. Gravimetric stoichiometry. pH calculations. Calculations in potentiometry, coulometry, spectrophotometry and separation methods. Solving of complex forming equilibria. Evaluation of analytical results.

References: 1. Eckschlager K., Zima J., Císařová I.: Chemometrie, PřF UK Praha 1994. 2. Miller J.C., Miller J.N.: Statistics for Analytical Chemistry, Ellis Horwood, New York 1993. 3. Vláčil F. et al: Příklady z chemické a instrumentální analýzy, 4 th ed., Informatorium, Praha 1991. 4. Coufal P., Bosáková Z., Čabala R., Suchánková J., Feltl L.: Seminář z analytické chemie, Teorie, příklady, cvičení, Karolinum, Praha 2001. 5. Kotouček M.: Příklady z analytické chemie, RUP, Olomouc 1982. 6. ADSTAT, TriloByte, statistický program, 1995.

Annotation

Lecture deals with basic principles of chemometry including errors in classical and instrumental analysis, probability theory, propagation of errors, basic data distributions, one- and two-tailed significance testing, hypothesis testing, least squares regression and correlation, calibration and fitting methods, non-parametric testing, seminar part consists of equation solving, titration stoichiometry of redox, acid-base, complex and precipitation reactions, gravimetric stoichiometry. pH calculations, calculations in potentiometry, coulometry, spectrophotometry and separation methods, solving of complex forming equilibria.