Erciyes University - Info Package

Course unit title	Level of course unit	Course unit code	Type of course unit	Semester of course unit	Local credit	ECTS credit	Syllabus
COMPUTER APPLICATIONS IN CHEMISTRY	Second cycle	KİMS217		3	3.00	3.00	Print

Description of course unit

Prerequisites and course requisities	Without precondition
Language of instruction	Turkish
Coordinator	Prof.Dr.Yahya Güzel
Lecturer(s)	Prof.Dr.Yahya Güzel
Teaching assitant(s)
Mode of delivery
Course objective	Mathematics is considered the cornerstone of the success of any student pursuing a degree in a discipline. One way of achieving this goal is by introducing students to the Application of Calculus courses. It will be used Object oriented programs for solution of quadratic equation, polynomial equations (iterative and Newton–Raphson methods) and numerical integration (Trapezoidal rule).
Course description	Both the programming as well as the application software aspects is quite useful for Chemistry students. The undergraduate curriculum covers the programming language C#..

Course contents

1	Find the root mean square, average and most probable velocities of a gas at different temperatures
2	Compute w, q, DU, and DH of an ideal gas expanded isothermally (i) Irreversible expansion against constant pressure
3	Compute w, q, DU, and DH of an ideal gas expanded isothermally (ii) Reversible process at a fixed temperature
4	Calculate DH and DS for an isothermal increase in pressure of CO2
5	Find the activation energy for the decomposition of HI
6	Calculate the dissociation energy of I2 using the electronic–vibration transitions DE vs v data ()
7	Numeric integration by Trapezoidal rule
8	MID-TERM EXAM
9	Write a program to find the value of a determinant and calculate eigen value.
10	calculate molar volume of a gas using van der Waals equation.
11	Application
12	Write a program for solution of a cubic equation
13	Application
14	Calculate the pressure of a gas using the ideal gas equation, van der Waals equation
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Learning outcomes of the course unit

1	Be able to create, compile, and run C# program using a compiler
2	Be able to declare variables of various types and write programs that do basic arithmetic operations
3	Understand and apply control structures such as conditionals and loops
4	Understand and use arrays and vectors
5	Understand and be able to write functions
6	Understand and be able to define and use structure types
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*Contribution level of the course unit to the key learning outcomes

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Number of stars refer to level of contribution from 1 (the least) to 5 (the most)

Planned learning activities, teaching methods and ECTS work load

	Quantity	Time (hour)	Quantity*Time (hour)
Lectures (face to face teaching)	13	2	26
Study hours out of classroom (study before and after the class)	0	0	0
Homework	3	1	3
Presentation / seminar	0	0	0
Quiz	3	1	3
Preparation for midterm exams	4	2	8
Midterm exams	1	2	2
Project (term paper)	0	0	0
Laboratuar	0	0	0
Field study	0	0	0
Preparation for final exam	4	2	8
Final exam	2	2	4
Research	0	0	0
Total work load			54
ECTS			2.00

Assessment methods and criteria

Evaluation during semester	Quantity	Percentage
Midterm exam	1	60
Quiz	3	20
Homework	3	20
Semester total		100
Contribution ratio of evaluation during semester to success		40
Contribution ratio of final exam to success		60
General total		100

Recommended and required reading

Textbook
Additional references

Files related to the course unit