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…

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…

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…

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…

Presents five computer programs: (1) Accurate Numerical Solutions of the One-Dimensional Schrodinger Equation; (2) NMR Simulation and Interactive Drill/Interpretation; (3) A Simple Computer Program for the Calculation of 13C-NMR Chemical Shifts; (4) Constants of 1:1 Complexes from NMR or Spectrophotometric Measurements; and (5) Saturation…