Course detail
Mathematical Applications in Chemistry II
FCH-BC_PCM2Acad. year: 2023/2024
Content of the subject is approximation of function (both discrete and continuous) using selected function (polynomial, exponential function, etc.) and selected criteria (least squares method, splines, etc.). Examples are selected from seminars of other, chemistry related subjects. Subject further involves integrals of real functions of one and two variables (calculation of area, volume, length of a curve) and solution of differential equations. These are solved using different methods with focus on numerical methods using ode functions in MATLAB. Examples are based on problems solved in subjects physical chemistry and chemical engineering. Lessons utilize mathematical software MATLAB, which is used to solve tasks analytically, numerically and graphically.
Language of instruction
Number of ECTS credits
Mode of study
Guarantor
Entry knowledge
Rules for evaluation and completion of the course
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.
Aims
Knowledge, abilities and competence of students is expected to be seen in following areas:
a) making relevant approximation of function quickly and easily
b) evaluating definite integrals
c) solving differential equations using different methods, knowing their advantages and disadvantages
d) using functions ode23 and ode45 in MATLAB to solve differential equations
e) creating simple m-files, that solve given task with given input values
f) modifying existing m-files to solve different tasks
Study aids
Prerequisites and corequisites
Basic literature
POLCEROVÁ, Marie. MATLAB počítačová cvičení z matematiky pro chemické aplikace. Brno: Fakulta chemická, Vysoké učení technické v Brně, 2018. (CS)
Recommended reading
Elearning
Classification of course in study plans
- Programme BKCP_CHCHTE Bachelor's 1 year of study, summer semester, compulsory
- Programme BKCP_AAEFCH Bachelor's 1 year of study, summer semester, compulsory-optional
- Programme BPCP_AAEFCH Bachelor's 1 year of study, summer semester, compulsory-optional
- Programme BPCP_CHCHTE Bachelor's 1 year of study, summer semester, compulsory
- Programme BKCP_CHTM Bachelor's 1 year of study, summer semester, compulsory-optional
- Programme BPCP_CHTM Bachelor's 1 year of study, summer semester, compulsory-optional
- Programme BPCP_CHTOZP Bachelor's 1 year of study, summer semester, compulsory-optional
- Programme BKCP_CHTOZP Bachelor's 1 year of study, summer semester, compulsory-optional
- Programme BPCP_CHTPO Bachelor's
specialization CHPL , 1 year of study, summer semester, compulsory-optional
specialization PCH , 1 year of study, summer semester, compulsory-optional
specialization BT , 1 year of study, summer semester, compulsory-optional - Programme BKCP_CHTPO Bachelor's
specialization PCH , 1 year of study, summer semester, compulsory-optional
specialization BT , 1 year of study, summer semester, compulsory-optional
specialization CHPL , 1 year of study, summer semester, compulsory-optional - Programme BPCP_CHMA Bachelor's 1 year of study, summer semester, compulsory-optional
- Programme BPCP_CHTN Bachelor's 1 year of study, summer semester, compulsory
Type of course unit
Lecture
Teacher / Lecturer
Syllabus
Week 2: Seminar - Practising approximations of measured data sets
Week 3: Lecture - Approximation in 2D in Chemistry, part 1 - other approximation methods
Week 4: Seminar - Approximations
Week 5: Lecture - Application of integrals
Week 6: Seminar - Practising selected examples
Week 7: Lecture - Application of differential equations, part 1
Week 8: Seminar - Application if integrals
Week 9: Lecture - Application of differential equations, part 1
Week 10: Seminar - Practising tasks with differential equations found in physical chemistry and chemical engineering
Week 11: Lecture - Differential of real function of two real variables
Week 12: Seminar - Correction tests
Week 13: Lecture - Final lecture. Evaluation of achieved results in subject
Computer-assisted exercise
Teacher / Lecturer
Elearning