The process of diffusion is intimately related to random molecular displacement and is central to many problems in chemistry. Here, we provide an intuitive derivation of the diffusion equation based on the analysis of the random trajectories of particles generated and plotted by simple MATLAB and Python scripts. The codes are very simple and…

Students in an upper-level physical chemistry course utilized an open-sourced statistical software package to construct models fitted to experimental pressure-volume data. In the first part of the experiment, students familiarize themselves with model fitting. In the second part of the experiment, students determine which truncated version of the…

The introduction of Computational Chemistry via "Molecular Modelling and Drug Design" course at undergraduate level has opened wide possibilities for students to expand their knowledge of quantum chemistry, organic reaction mechanisms, protein-ligand interactions, drug design, and probable "in vivo" behavior of drug candidates.…

The rise of virtual and online education in recent years has led to the development and popularization of many online tools, notably three-dimensional (3D) models and augmented reality (AR), for visualizing various structures in chemical sciences. The majority of the developed tools focus on either small molecules or biological systems, as…

3D printers have facilitated a wealth of 3D printed molecular models illustrating key structural concepts for student learning. However, general adoption of 3D printed models in the organic chemistry classroom proceeds slowly as the majority of consumer-grade 3D (fused deposition modeling (FDM) and resin) printers are inherently monochromatic,…

Upper-division undergraduate students are introduced to polymer processing using material extrusion fused filament fabrication 3D printing to make poly(lactic acid) (PLA) mechanical testing specimens. Computer aided design and slicing software packages are used to demonstrate the process of preparing 3D computer models for printing. Following the…

The reaction rate and rate law are chemical kinetics concepts that undergraduate students have difficulty understanding and applying in real life. A further challenge is the overall reaction rate of consecutive reactions. Herein we present a creative teaching practice using the analogy-based approach to exploit the similarities between the…

Excluded-volume interactions are ubiquitous to modeling the average size of polymers in solution. This paper shows how simulations can be used by students to explore the emergence of mathematical scaling relations from excluded-volume interactions. Simulations provide robust visual representations of the system, and can be used to investigate a…

Here, we present an interdisciplinary educational project intended for high school chemistry that is focused on the establishment of a mathematical model to describe the relationship between conductivity and concentration, while linking chemistry to mathematics with the help of computer software. The project was designed to help high school…

Principal component analysis (PCA) is one of the most important and powerful methods in chemometrics as well as in a wealth of other areas. Running a PCA results in two main elements, the score plot and the loading plot; the score plot provides the location of the samples, and the loading plot indicates correlations among variables, the trends in…

A classical nonlinear system, the "Brusselator", was used to illustrate the modeling and simulation of oscillating chemical systems using stability analysis techniques with modern software tools such as Comsol Multiphysics, Matlab, and Excel. A systematic approach is proposed in order to establish a regime of parametric conditions that…

Introductory chemistry students encounter the concept of hybrid orbitals as a transition from atomic orbitals to molecular bonding. The principal purpose of learning hybridization in the undergraduate curriculum is to impart an understanding of the origins of molecular bonding and geometry. Physical models of both individual hybrid orbitals and…

"Complexation TOPOS" is a free software package to generate 3-D topographic surfaces ("topos") for metal-ligand complexometric titrations in aqueous media. It constructs surfaces by plotting computed equilibrium parameters above a composition grid with "volume of ligand added" as the x-axis and overall system dilution…

Instructional videos have been prepared using Adobe Captivate software to create animated tutorials to capture instrument and molecular modeling software simulations and to allow for increased independent hands-on instrument use by students and faster training for instructors and teaching assistants. The videos are available on YouTube and can be…

This work developed the Flint, Michigan water crisis as a modular case study for teaching traditional analytical chemistry concepts through the medium of environmental justice, power, and equity. An interdisciplinary framework was used to design, implement, and assess the case study in an effort to understand how the deliberate presence of…