Course syllabus for Physical chemistry

Course syllabus adopted 2022-02-09 by Head of Programme (or corresponding).

Overview

  • Swedish nameFysikalisk kemi
  • CodeKFK053
  • Credits7.5 Credits
  • OwnerTKKMT
  • Education cycleFirst-cycle
  • Main field of studyChemical Engineering
  • DepartmentCHEMISTRY AND CHEMICAL ENGINEERING
  • GradingTH - Pass with distinction (5), Pass with credit (4), Pass (3), Fail

Course round 1

  • Teaching language Swedish
  • Application code 53115
  • Maximum participants65
  • Open for exchange studentsNo
  • Only students with the course round in the programme overview.

Credit distribution

0106 Examination 6 c
Grading: TH		 6 c
  • 16 Mar 2024 am J
  • 04 Jun 2024 pm J
  • 30 Aug 2024 am J
0206 Laboratory 1.5 c
Grading: UG		 1.5 c

In programmes

Examiner

  • Nikola Markovic
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Eligibility

General entry requirements for bachelor's level (first cycle)
Applicants enrolled in a programme at Chalmers where the course is included in the study programme are exempted from fulfilling the requirements above.

Specific entry requirements

The same as for the programme that owns the course.
Applicants enrolled in a programme at Chalmers where the course is included in the study programme are exempted from fulfilling the requirements above.

Course specific prerequisites

General chemistry, multivariable calculus and linear algebra.

Aim

The course aims to provide in-depth knowledge of the theoretical foundations of chemistry and, based on quantum mechanics and statistical mechanics, describe chemical bonding, molecular spectra, dynamic processes and thermodynamic properties. The course will also provide increased skills in experimental methodology and technical/scientific reporting.

Learning outcomes (after completion of the course the student should be able to)

  • use basic physical models and quantum mechanical concepts to solve relevant problems concerning the properties and interactions of atoms and molecules
  • identify different spectroscopic processes and be able to calculate molecular properties from spectra, especially for diatomic molecules
  • calculate probabilities and thermodynamic quantities from the Boltzmann distribution and the canonical partition function
  • devise cells and cell reactions for electrochemical processes to be able to calculate the cell potential and thermodynamic quantities
  • derive and analyze rate equations from a given mechanism, be able to determine reaction order and rate constant from experimental data and be able to estimate the rate constant from basic theory
  • perform basic laboratory measurements and be able to analyze, discuss and report the results from these

Content

The course begins with electrochemistry, which serves as a link back to the course in thermodynamics. Then follows a review of basic quantum mechanics where concepts such as eigenvalue problems, the Broglie wavelength, the Schrödinger equation, the wave function and the uncertainty relation are discussed. An analysis of the important model systems particle in box, harmonic oscillator and rigid rotor follows. The hydrogen atom is treated in detail and the structure of the periodic table is discussed. A description of the electron structure of molecules follows with a focus on diatomic molecules and the LCAO-MO method. Polyatomic conjugate systems are treated with the Hückel method. Electronic states of atoms and linear molecules are described with term symbols. Analysis of vibration and rotation spectra (MW, IR, Raman) for primarily diatomic molecules is followed by a discussion of electronic spectra. Based on the quantum mechanically determined energy levels, a statistical mechanical description of thermodynamic relationships via the concept of the partition function then follows. Intermolecular forces are briefly discussed. Basic kinetic concepts are reviewed before more complex processes are analyzed (including chain reactions, photochemical reactions and the Langmuir isotherm). The course also includes a section on chemical reaction rate theory (collision theory, transition-state theory, diffusion-controlled processes).

Organisation

Lectures, tutorials, and five compulsory laboratory assignments:
  1. Calculation of electronic structure (HyperChem)
  2. Determination of the dissociation energy for I2
  3. Electrochemical determination of solubility product and ligand number
  4. Determination of the rate constant for the reaction between hydrogen peroxide and iodide
  5. Determination of the lifetime of singlet excited naphtalene

Literature

Literature will be announced on the course web page before start of the course.

Examination including compulsory elements

Written exam (6 c) and approved laboratory work (1.5 c).

The course examiner may assess individual students in other ways than what is stated above if there are special reasons for doing so, for example if a student has a decision from Chalmers on educational support due to disability.