Analytical Calculations and Chemometry Principals

Garant předmětu:

Lecturer:

Tutor:

Supervisor:

Department of Nuclear Chemistry

Synopsis:

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.

Requirements:

Knowledge of chemistry on the level of completed courses of basic chemical disciplines.

Syllabus of lectures:

1.Analytical problems and errors. Probability theory.

2.Errors in classical analysis. Propagation of errors.

3.Basic data distributions.

4.Significance one-tailed and two-tailed testing. Hypothesis testing.

5.Errors in instrumental methods.

6.Least squares regression and correlation.

7.Calibration and fitting methods.

8.Non-parametric testing. Quality control. Sampling. Experimental design.

9.Multivariate statistical problems.

10.Equation solving. Titration stoichiometry of redox, acid-base, complex and precipitation reactions. Gravimetric stoichiometry.

11.Calculations of pH values. Calculations in potentiometry, coulometry, spectrophotometry and separation methods.

12. Solving of complex forming equilibria. Evaluation of analytical results.

Syllabus of tutorials:

Study Objective:

The course provides the students with the fundamental principles of chemometry.

The students will acquire competence to correctly estimate the errors of analytical data and to statistically correctly process the experiemental data.

Study materials:

Key literature:

1. Miller J.C., Miller J.N.: Statistics and Chemometrics for Analytical

Chemistry, Pearson Prentice Hall, Harlow 2000.

Recommended literature:

1. ADSTAT 2.0, TriloByte, statistical software 1995.

Note:

Further information:

No time-table has been prepared for this course

The course is a part of the following study plans:

• BS Matematické inženýrství - Matematické modelování (elective course)
• BS Matematické inženýrství - Matematická fyzika (elective course)
• BS Matematické inženýrství - Aplikované matematicko-stochastické metody (elective course)
• BS Informatická fyzika (elective course)
• BS Aplikace softwarového inženýrství (elective course)
• BS Aplikovaná informatika (elective course)
• BS jaderné inženýrství B (elective course)
• BS Jaderné inženýrství C (elective course)
• BS Dozimetrie a aplikace ionizujícího záření (elective course)
• BS Experimentální jaderná a částicová fyzika (elective course)
• BS Inženýrství pevných látek (elective course)
• BS Diagnostika materiálů (elective course)
• BS Fyzika a technika termojaderné fúze (elective course)
• BS Fyzikální elektronika (elective course)
• BS Jaderná chemie (elective course)
• Jaderná chemie (elective course)