Research Methods in Chemical Thermodynamics

Major: Chemistry
Code of subject: 8.102.00.O.004
Credits: 3.00
Department: Physical, Analytical and General Chemistry
Lecturer: Professor, Doctor of Science Volodymyr Mykolayovych Dibrivny
Semester: 1 семестр
Mode of study: денна
Мета вивчення дисципліни: To form in the graduate student a deep understanding of the peculiarities of chemical processes and phase transformations from the point of view of chemical thermodynamics and an understanding of the influence of the structure of substances on their individual properties and reactivity.
Завдання: The study of an academic discipline involves the formation and development of competencies in graduate students: general competences: 1. Gaining an in-depth understanding of the theoretical foundations and applied principles of chemistry, understanding of modern trends in the development of chemical science. 2. The ability to initiate and conduct original scientific research, identify relevant scientific problems, search for and critically analyze information, produce innovative constructive ideas, and apply non-standard approaches to solving complex and atypical tasks. 3. The ability to initiate, substantiate and manage actual scientific projects of an innovative nature, to independently conduct scientific research, to interact in a team and to show leadership skills in the implementation of scientific projects. professional competences: 1. In-depth understanding of the peculiarities of chemical processes and phase transformations from the point of view of chemical thermodynamics. Understanding the influence of the structure of substances on their individual properties and reactivity.
Learning outcomes: As a result of studying the discipline, the graduate student must demonstrate the following learning outcomes: 1. In-depth knowledge and practical application of the laws of chemical thermodynamics. 2 The ability to relate the structure of compounds to their properties and reactivity. 3 Ability to apply the laws of chemical thermodynamics to real processes. 4 Calculate the equilibrium constants of the investigated reactions. 5 Determine the composition of the equilibrium mixture and its effect on temperature and pressure.
Required prior and related subjects: Previous: Organic chemistry Modern methods of identification of organic compounds Scientific basis of organic compounds research Accompanying: Basics of cavitation chemistry Scientific basis of inorganic compounds research Modern methods of determining the purity of compounds
Summary of the subject: Thermodynamic properties of substances are, in fact, the energy basis of the study of the properties of the substances themselves and the reactions in which these substances take part. Therefore, mastering the methods of experimental and theoretical research in chemical thermodynamics is necessary for both scientific chemists and practicing chemists. Research in this field makes it possible to determine the energy of formation of the most complex molecules and the energy of interatomic and intermolecular interaction in molecules. This makes it possible to understand the nature and properties of complex systems, which is necessary for the successful solution of many practical problems. Thermodynamic properties are necessary when calculating energy balances of technological processes of reactions occurring in solutions or at the boundary of phase separation. In addition, information on the thermodynamic properties of substances and their phase transformations is necessary for forecasting, designing and optimizing such processes as synthesis, purification, storage, processing (application), utilization. The course "Research methods in chemical thermodynamics" includes the following three main sections: Section I. Theoretical foundations of chemical thermodynamics. Section II. Experimental methods of chemical thermodynamics research. Chapter III. Theoretical methods of calculating chemical thermodynamics. In addition, the course consistently examines the problems of determining the thermodynamic properties of substances, their phase transformations, and energies of interatomic bonds. The tasks of determining the directions of various chemical processes and chemical reactions are solved, and the composition of the reagents of reactions in a state of chemical equilibrium is calculated. The study of the discipline is carried out by sequential teaching of a theoretical course with parallel practical work. The course can be useful for students when calculating material balances of reactions during diploma design, graduate students engaged in physico-chemical research and chemical engineers.
Опис: Introduction. Basic concepts and definitions. And the law (beginning) of thermodynamics. Heat capacity. Thermochemistry. Hess's law. Thermal effects of chemical reactions and various physical and chemical processes The second law of thermodynamics. Reversible and irreversible processes (equilibrium and non-equilibrium). Entropy. Statistical nature of the second law of thermodynamics. Relationship of entropy with system parameters. Entropy change in a chemical reaction. Calculation of entropy change in equilibrium processes. Characteristic functions. Connection of Helmholtz and Gibbs potentials with system parameters. Helmholtz and Gibbs energy during phase transformations and temperature changes. Criteria for directionality of processes. The third law of thermodynamics Chemical equilibrium. Fugitiveness and activity. The equation of the isotherm of a chemical reaction. Ways of expressing equilibrium constants and their relationship. Equation of isobars. Le Chatelier's principle. The effect of inert impurities on the equilibrium in the system. Determination of equilibrium constants of chemical reactions at different temperatures. Calorimetric determination of enthalpies of combustion and formation. Description of calorimetric installation B-08-MA. Determination of the energy equivalent of the calorimetric system. Preparation of substances for burning in a calorimetric bomb. The method of conducting a calorimetric experiment. Determination of the amount of the substance burned in the experiment Determination of temperature dependences of saturated vapor pressure by Knudsen's effusion method. Design features of Knudsen's integral effusion method. Methodology of effusion studies Determination of the mass loss of the studied sample in the non-stationary mode of vaporization. Processing of experimental data obtained by the Knudsen method. Verification of the reliability of Knudsen's effusion installation using reference benzoic acid Determining the temperature dependence of saturated vapor pressure by the tensiometric method. Description of tensimetric installation. Checking the reliability of the tensiometric installation and obtaining the temperature dependences of the saturated vapor pressure of the studied substances. Theoretical methods of calculating physical and chemical properties of molecules. Calculation of thermodynamic parameters from experimental data Methods of analytical calculation of melting enthalpies. Calculation of thermodynamic parameters of substances by additive calculation methods Kirchhoff's law. Correction of enthalpies of phase transitions. Peculiarities of using the thermochemical cycle in determining the enthalpy characteristics of phase transitions.
Assessment methods and criteria: The form of semester control is an exam (written and oral control), current control is a check of calculation works.
Критерії оцінювання результатів навчання: Current control: implementation and protection of calculation works (30 points); tests (10 points). Examination control: written component (50 points) and oral component (10 points)
Порядок та критерії виставляння балів та оцінок: - 100–88 points – (“excellent”) is awarded for a high level of knowledge (some inaccuracies are allowed) of the educational material of the component contained in the primary and additional recommended literary sources, the ability to analyze the phenomena being studied in their interrelationship and development, clearly, succinctly, logically, consistently answer the questions, the ability to apply theoretical provisions when solving practical problems; - 87–71 points – (“good”) is awarded for a generally correct understanding of the educational material of the component, including calculations and reasoned answers to the questions posed, which, however, contain certain (insignificant) shortcomings, for the ability to apply theoretical provisions during solving practical tasks; - 70 – 50 points – (“satisfactory”) are awarded for weak knowledge of the component’s educational material, inaccurate or poorly reasoned answers, a violation of the sequence of presentation, or weak application of theoretical provisions while solving practical problems; - 49-26 points - ("not certified" with the possibility of retaking the semester control) are awarded for ignorance of a significant part of the educational material of the component, significant errors in answering questions, inability to apply theoretical provisions when solving practical problems; - 25-00 points - ("unsatisfactory" with mandatory re-study) are awarded for ignorance of a significant part of the educational material of the component, significant errors in answering questions, inability to navigate when solving practical problems, and ignorance of the main fundamental provisions.
Recommended books: 1. Ковальчук Є.П., Решетняк О.В. Фізична хімія.-Львів: Видавничий центр ЛНУ ім.І.Франка, 2007.-800 с.
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