In this article, we use a simple lattice model to illustrate the concepts of entropy, free energy, and thermodynamic equilibrium from a microscopic perspective. These physical concepts are based on elementary knowledge of discrete probability distribution and weighted average. Calculations about this model involve basic algebra and counting, which…

The Maxwell distribution of speeds, f(v), is the starting point for the calculation of the transport coefficients in kinetic-molecular theory. Most physical chemistry textbooks follow a path to derive f(v) similar to that used by Maxwell, which makes it difficult for students to understand its relationship with the equilibrium state of the system,…

This article describes the development of the Quantization and Probability Representations Inventory (QuPRI) as a measure of student understanding of the electron structure of the atom. The QuPRI was created using a mixed-method sequential design such that the items and distractors were generated on the basis of the analysis of semi-structured…

In this work we are going to present how an interactive platform can be used as a powerful tool to allow students to better explore a foundational problem in quantum chemistry: the application of the variational method to the dihydrogen molecule using simple Gaussian trial functions. The theoretical approach for the hydrogen atom is quite…

Computational thinking is a component of the Science and Engineering Practices in the Next Generation Science Standards, which were adopted by some states. We describe the activities in a high school chemistry course that may develop students' computational thinking skills by primarily using Excel, a widely available spreadsheet software. These…

The protein folding (Levinthal's) paradox states that it would not be possible in a physically meaningful time to a protein to reach the native (functional) conformation by a random search of the enormously large number of possible structures. This paradox has been solved: it was shown that small biases toward the native conformation result…

This undergraduate physical chemistry laboratory exercise introduces students to the study of probability distributions both experimentally and using computer simulations. Students perform the classic coin toss experiment individually and then pool all of their data together to study the effect of experimental sample size on the binomial…

Our ability to statistically analyze data has grown significantly with the maturing of computer hardware and software. However, the evolution of our statistics capabilities has taken place without a corresponding evolution in the curriculum for the undergraduate chemistry major. Most faculty understands the need for a statistical educational…

For over a century, chemists have investigated the rates of chemical reactions using experimental conditions involving huge numbers of molecules. As a consequence, the description of the kinetics of the reaction in terms of average values was good enough for all practical purposes. From the pedagogical point of view, such a description misses the…

Effectively teaching the concepts of osmosis to college-level students is a major obstacle in biological education. Therefore, a novel computer model is presented that allows students to observe the random nature of particle motion simultaneously with the seemingly directed net flow of water across a semipermeable membrane during osmotic…

A classroom exercise for undergraduate and beginning graduate students that takes about one class period is proposed and discussed. It is an easy, interesting exercise that demonstrates important aspects of sampling techniques (sample amount, particle size, and the representativeness of the sample in relation to the bulk material). The exercise…

The thermodynamic concepts of First and Second Laws with respect to the entropy function are described using atoms and molecules and probability as manifested in statistical mechanics. The First Law is conceptually understood as [Delta]U = Q + W and the Second Law of Thermodynamics and the entropy function have provided the probability and…

The one-dimensional particle-in-a-box model used to introduce quantum mechanics to students suffers from a tenuous connection to a real physical system. This article presents a two-dimensional model, the particle confined within a ring, that directly corresponds to observations of surface electrons in a metal trapped inside a circular barrier.…

An exercise is presented in which the kinetics of the irreversible "reaction" of pennies in the heads-up state to pennies in the tails-up state is simulated by a hands-on, Monte Carlo approach. In addition, the exercise incorporates a second simulation in which the irreversible "reaction" of dice with a red face uppermost to a blue face uppermost…