The drive in computational methods and more intuitive software has seen a rise in the number of publications in this area in recent years. Computational simulations can be found in many areas of science from computational biology and chemistry to fundamental physics. These may help synthetic chemists in their drug discovery endeavors and…

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…

This study reported the application of an interactive Open Education Resource, namely, an open virtual experiment simulator education tool (OVESET), in teaching the kinetics of atom transfer radical polymerization (ATRP) in a polymer science classroom. The OVESET ATRP kinetic simulator aims at improving students' inductive reasoning skills.…

Investigation of the kinetics of phosphorescence decay is a suitable learning task in studying the formal kinetics, and also properties of crystal phosphors. Kinetics of phosphorescence decay of crystal phosphors can be experimentally investigated at home as part of distance learning, using a conventional digital photo camera and a luminescent…

In the resolution of problems in chemical kinetics and catalysis the mathematical models relate the independent variable that is usually time, with the dependent variable which is normally the concentration of a reactant. They conform to linear models, whose parameters such as the ordering to origin and the slope are kinetic parameters, applying…

KinSim is a research-grade, interactive, user-friendly, open-source, and visual software for kinetics modeling of environmental chemistry and other applications. Students without any computer-programming background and limited knowledge of environmental chemistry can use KinSim, which also includes multiple features and functionality dedicated to…

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…

FlashPhotol is an educational software package that introduces students to the kinetics of transient species and fast reactions. This is achieved by means of a computer-simulated flash photolysis apparatus that comprises all major functional elements and that students can use to perform various experiments. The experimental interface presents a…

The oxidation of iron is an important reaction due to its high economic impact. In this laboratory exploration, the total order of this reaction was determined using commercially available handwarmer packets that rely on the iron-oxygen reaction to generate heat. The active ingredient in the handwarmer packet is iron, which interacts with…

SCILAB is a lesser-known program (than MATLAB) for numeric simulations and has the advantage of being free software. A challenging software-based activity to analyze the most common linear reversible inhibition types with SCILAB is described. Students establish typical values for the concentration of enzyme, substrate, and inhibitor to simulate…

Free software for the demonstration of the features of homo- and copolymerization processes (free radical, controlled radical, and living) is described. The software is based on the Monte Carlo algorithms and offers insight into the kinetics, molecular weight distribution, and microstructure of the macromolecules formed in those processes. It also…

A convenient laboratory experiment is described in which NMR magnetization transfer by inversion recovery is used to measure the kinetics and thermochemistry of amide bond rotation. The experiment utilizes Varian spectrometers with the VNMRJ 2.3 software, but can be easily adapted to any NMR platform. The procedures and sample data sets in this…

Technology was integrated into service-learning activities to create an interactive teaching method for undergraduate students at a large research institution. Chemistry students at the University of Central Florida partnered with high school students at Crooms Academy of Information Technology in interactive service learning projects. The…

In this paper we describe an interdisciplinary course on dynamics that is appropriate for nonscience majors. This course introduces ideas about mathematical modeling using examples based on pendulums, chemical kinetics, and population dynamics. The unique emphasis for a nonmajors course is on chemical reactions as dynamical systems that do more…

Describes a Pascal-language based kinetics rate package for the microcomputer. Considers possible ecological uses for the program and illustrates results for several rate laws. Discusses hardware and software needs for adequate operation. (ML)