Computer Based Projects for a Chemistry Curriculum

This lab exercise aims to teach students the basic of performing calculations in a spreadsheet, the basic chemical concepts such as temperature conversion, energy units, pH and kinetics as used to learn the spreadsheet commands, the basics of generating graphs in a spreadsheet and the correct format for reports, which will be generated in a word processing program.

This exercise aims to introduce students to the molecular modeling (Spartan) software. Students will construct and visualize a number of small molecules in two and three dimensions, and calculate and measure some basic geometric parameters such as bond distances and angles with three-dimensional structures.

This exercise aims to reinforce in students the concepts of acid-base chemistry, specifically the reaction of a strong acid and a strong base. Students will simulate a titration curve for the addition of a strong acid (burette) into a strong base (beaker).

This exercises aims to teach a number of chemical and physical properties for approximately 98 elements, to teach a range of periodic trends and to advance a students use of Excel and its logic commands.

In this exercise, the basics of Valence Shell Electron Pair Repulsion (VSEPR) will be reviewed and the structures constructed using this approach will be visualized in three dimensions. Students will build molecules with geometries such as linear, trigonal planar, tetrahedral, trigonal bipyramidal, square planar, and octahedral. Students will identify the hybridizations of the various molecules constructed in the molecular modeling program. Students will utilize semiempirical methods to calculate the dipole moments of the molecular species constructed.

In this exercise students will learn chemical and physical properties associated with specific elements, and will learn how to graph a number of trends as a function of different groups of elements and determine if a periodic trend exist.

In this exercise students will learn about the reactions between a strong base and weak, as well as a weak base and a strong acid. Students will simulate a titration curve that would be obtained if a strong acid and a weak base were reacted, and they will advance their knowledge of using a spreadsheet in chemistry related exercises.

In this exercise students will model the structures of monoprotic, diprotic, triprotic acids, and their conjugate bases. Students will calculate the dipole moment, molecular volume and surface area of each molecule and calculate the atomic charges on each atom in the molecules. Students will look for correlations between the acids pKa, its dipole moment and the atomic charges on the atoms closest to the protonation/deprotonation site.

In this exercise students will study chemical forces such as covalent bonds, ionic bonds, ion-dipole interactions and hydrogen bonds.

In this exercise students will balance nuclear reactions, and will evaluate nuclear stability based on the proton/neutron ratio. Students will construct stability belts using their spreadsheet program.

In this exercise students will review fundamental aspects of acid/base chemistry in the aqueous phase. Students will also simulate the impact that shifting or altering pH has on a monoprotic or diprotic or polyprotic species.

In this exercise students will review a number of fundamental concepts including molecular geometry, electron configurations, magnetism, metal-ligand interactions, and material science. Students will use molecular modelling software to build, visualize and study a cutting edge material (single molecule magnet).

In this exercise students will review some applications of an important industrial chemical. From this review it will become obvious why understanding basic physical and chemical parameters of chemical species are important. Students will also use existing experimental data, involving the decomposition of ozone to form oxygen, to determine reaction order and rate constant. Students will perform the calculations and graphing components of the exercise in a spreadsheet advancing their computational capabilities.

In this exercise students will review the concepts and equations associated with thirty important relationships covered in general chemistry. Students will use a spreadsheet to graph correlations associated with each equation. This exercise may be given at any point in a general chemistry lab curriculum. If given at the beginning of a course than it can serve as an introduction to the course. If the exercise is assigned at the end of a course it serves as an excellent review for many of the concepts covered throughout a semester.

In this exercise students will learn about radioactive decay schemes and isotopes. Students will simulate the quantity of several isotopes present as a function of time.

In this exercise students will replicate interactions in a simulated solvent (water, ethanol, etc.) drop that have diameters of a few nanometers across. Students will construct systems that will allow them to review some fundamental interactions such as hydrogen bonding, dipole-dipole interactions and ion-dipole interactions. Students will search for correlations or trends involving molecular interactions and physical parameters. Students will look at ionic, atomic and small molecule interactions in a nanodrop of a common solvent such as water, ethanol and methanol. The diameter of these nanodrops typically ranges from two to six nanometers. Students will examine the interaction of a solvent nanodrop with two enkephalin peptides to better understand molecular folding.

In this exercise students will use the molecular modelling software to build and study different types of isomers. Students will use the molecular modelling software to build and study different coordination compounds. Working with dynamic structures in 3D allows students to visualize and understand geometric factors that are difficult to comprehend with a flat (2D) image.

In this exercise, students will learn how to use a modeling program to build a lattice structure. It will teach students how to construct a sheeted material such as graphite, how to construct an intercalated compound, how to construct a fullerene (buckyball, C₆₀) and a aza-fullerene (C₄₈N₁₂), and how to construct a carbon nanotube from chains of carbon molecules. It aims to improve a student’s ability to visualize 3D structures.

In this exercise students will learn to use a carbon nanotube as gas phase test tube, to study the transition from a gas to a supercritical fluid for CO₂. They will also learn to compare the Ideal Gas Law to the van der Waals equation.

In this exercise students will learn the different types of radioactive equilibrium. The students will build graphs of radioactive decay using Excel function of multiple series, and will be able to compare the behavior of these processes according to the equilibrium type.

This is an interdisciplinary exercise that encompasses geography, chemistry, health care and touches on a number of other topics (geology, agriculture, etc.). Students will examine the location of a country and its natural resources that can be related to some facet of the chemical industry. Students correlate the development of the chemical industry with life expectancy.

This is a Sudoku type exercise that focuses on periodic trends and elemental symbols. It does require access to an interactive periodic table. It is difficult!

This exercise aims to teach students chemical nomenclature and empirical formulas, as well as some concepts of isomers and polarity.

This exercises aims to familiarize students with chemical structures of natural products. Students will also use computational methods to learn about trends or the lack thereof in natural products.