Course detail

Mathematic application in chemstry I

FCH-BC_PCM1Acad. year: 2018/2019

The course deals with solving tasks using computer technology. Chosen topics of secondary school mathematics and subject Mathematics I (calculation of values of elementary functions, substitution into formulas, modification of terms, solution of nonlinear equations, systems of equations, graphs in 2D, differentials of real functions of one real variable, matrices, determinants) are taught and exercised using computer technology and applied to chemistry. Mathematical software MATLAB is used in lessons to solve tasks analytically, numerically and graphically.

Learning outcomes of the course unit

Knowledge, abilities and competence of students is expected to be seen in following areas:
a) using advanced methods to solve basic mathematical tasks quickly and easily
b) effectively solving practical tasks with applications in chemistry
c) ability to present solution with appropriate graphical representation in 2D
d) combining symbolic, numerical and graphical methods in their solutions
e) verifying solutions using alternative methods
f) creation of simple m-files, that solve given task with given input values
g) modification of existing m-files to solve different tasks

Prerequisites

Knowledge of mathematics, computer science and chemistry at the secondary school level is expected.

Co-requisites

Not applicable.

Recommended optional programme components

Not applicable.

Recommended or required reading

POLCEROVÁ, Marie. MATLAB počítačová cvičení z matematiky pro chemické aplikace. Brno: Fakulta chemická, Vysoké učení technické v Brně, 2018. (CS)
MATLAB CREATIVE TEAM. MATLAB The Language of Technical Computing. USA: Natick, The MathWorks, Inc., November 2000. Fifth printing. MA 01760-2098 USA. (CS)
POLCEROVÁ, Marie. Doprovodný text k počítačovým cvičením Matematika I. Brno: Fakulta chemická, Vysoké učení technické v Brně, 2001 (CS)

Planned learning activities and teaching methods

Theoretical knowledge, examples of solutions and applications of tasks in chemistry are presented in lectures. Seminars are used to practise selected tasks and their applications. Students can study from distance learning text: MATLAB počítačová cvičení z matematiky pro chemické aplikace. Additional study material, guides and tasks for practise are provided in LMS Moodle.

Assesment methods and criteria linked to learning outcomes

Students take three tests during the semester. During the first test (elementary functions), students submit one m-file and they can receive up to 24 points. At least 12 points have to be achieved, otherwise the result is considered unsatisfactory. During second test (calculations in chemistry) up to 36 points can be gained. Accurate or approximate result has to be calculated and at least 18 points gained. During the third test (course of function), at least one m-file is submitted. Result is satisfactory, when graph of function is correct and at least 20 points from a maximum of 40 are achieved. As long as students have satisfactory result on all three tests and do not have an unexcused absence they will be awarded course-unit credit. If any of the tests is unsatisfactory and it is not retaken during the semester, student has to either retake this test during the first week at the exam period. Classification is made using ECTS scale.

Language of instruction

Czech

Work placements

Not applicable.

Course curriculum

Week 1: Lecture - Elementary functions in MATLAB.
Week 2: Seminar - Use of elementary functions in MATLAB.
Week 3: Lecture - Calculations in chemistry, part 1 - analytical and numerical calculations.
Week 4: Seminar - Test n. 1: Elementary function in MATLAB.
Week 5: Lecture - Calculations in chemistry, part 2 - non-linear equations.
Week 6: Seminar - Calculations in chemistry.
Week 7: Lecture - Graphs of functions in 2D, part 1 - course of a function.
Week 8: Seminar - Test n. 2: Calculations in chemistry and basics of graph creation.
Week 9: Lecture - Graphs of functions in 2D, part 2.
Week 10: Seminar - Course of a real function of one real variable.
Week 11: Lecture - Use of differentials in chemistry, matrices, determinants.
Week 12: Seminar - Test n. 3: Course of a function.
Week 13: Lecture - Final lecture. Evaluation of achieved results in subject.

Aims

Subject's goal is to introduce students to advanced methods of solving mathematical tasks (secondary school and Mathematics I). These methods are necessary for studying chemistry. Students are going to learn basics of mathematical informatics and will be prepared for its application in other subjects, especially in subjects with focus on chemistry.

Specification of controlled education, way of implementation and compensation for absences

Seminars will be held for two hours every two weeks in specialized IT classroom. Attendance on seminars is mandatory and will be checked. Lectures will be held two hours every two weeks. Attendance on lectures is recommended but not mandatory.

Classification of course in study plans

  • Programme BKCP_CHCHT Bachelor's

    branch BKCO_SCH , 1. year of study, winter semester, 2 credits, compulsory

  • Programme BPCP_CHCHT Bachelor's

    branch BPCO_SCH , 1. year of study, winter semester, 2 credits, compulsory
    branch BPCO_CHTOZP , 1. year of study, winter semester, 2 credits, compulsory-optional

  • Programme BKCP_CHCHT Bachelor's

    branch BKCO_CHTOZP , 1. year of study, winter semester, 2 credits, compulsory-optional

  • Programme BPCP_CHCHT Bachelor's

    branch BPCO_CHMN , 1. year of study, winter semester, 2 credits, compulsory-optional
    branch BPCO_CHM , 1. year of study, winter semester, 2 credits, compulsory-optional

  • Programme BKCP_CHCHT Bachelor's

    branch BKCO_CHM , 1. year of study, winter semester, 2 credits, compulsory-optional

  • Programme BPCP_CHTP Bachelor's

    branch BPCO_BT , 1. year of study, winter semester, 2 credits, compulsory-optional

  • Programme BKCP_CHTP Bachelor's

    branch BKCO_BT , 1. year of study, winter semester, 2 credits, compulsory-optional
    branch BKCO_PCH , 1. year of study, winter semester, 2 credits, compulsory-optional

  • Programme BPCP_CHTP Bachelor's

    branch BPCO_CHP , 1. year of study, winter semester, 2 credits, compulsory-optional

  • Programme AKRED_neaktuální Bachelor's

    specialization --- , 1. year of study, winter semester, 2 credits, compulsory-optional
    specialization () , 1. year of study, winter semester, 2 credits, compulsory-optional

Type of course unit

 

Lecture

13 hours, optionally

Teacher / Lecturer

seminars in computer labs

13 hours, compulsory

Teacher / Lecturer