The contemporary Human activity utilizes huge volumes of digital data to solve efficiently multiple socio-economic, scientific and technical problems. Now the big data analysis is mainly oriented to the socioeconomic sphere with a goal to lift the profit. The science and technology to penetrate deeper in the nature of objects and systems under…

Small organic molecules offer a rich opportunity to discuss the interplay of chemical structure with properties such as the melting point and phenomena such as glass formation and can form the basis of fundamental considerations of structure-property relationships in macromolecules. Of particular importance are thermal transitions, specifically…

An unfavorable pH can block a feasible electron transfer for a pH dependent redox reaction. In this experiment, a series of potentiometric titrations demonstrate the sequential loss in feasibility of iron(II) dichromate redox reaction over a pH range of 0-4. The pH at which this reaction failed to occur was termed as a pH locked reaction. The…

Misconceptions are the "the old, the bad, and the ugly" prior knowledge, ideas or conceptions that the learners have that hinder their further learning in science. Several types of misconceptions that undergraduate students hold about reaction coordinate diagrams (from here on we use the term "reaction coordinate diagrams" and…

This article describes the implementation and application of a metal deposition and surface diffusion Monte Carlo simulation in a physical chemistry lab course. Here the self-diffusion of Ag atoms on a Ag(111) surface is modeled and compared to published experimental results. Both the thin-film homoepitaxial growth during adatom deposition onto a…

This advanced undergraduate laboratory experiment involves the synthesis and characterization of a metal-organic framework with microporous channels that are held intact via hydrogen bonding of the coordinated water molecules. The hydrothermal synthesis of Co[subscript 3](BTC)[subscript 2]·12H[subscript 2]O (BTC = 1,3,5-benzene tricarboxylic acid)…

A traditional organic chemistry laboratory experiment involves the acid-catalyzed isomerization of (-)-menthone to (+)-isomenthone. This experiment generates large quantities of organic and aqueous waste, and only allows the final ratio of isomers to be determined. A "green" modification has been developed that replaces the mineral acid…

Variable temperature NMR spectroscopy is used to determine the ?H° and ?S° of hydrogen bond formation in a simple diamide. In this two- or three-day experiment, students synthesize N,N'-dimethylmalonamide, dimethylsuccinamide, dimethylglutaramide, or dimethyladipamide from methylamine and the corresponding diester (typically in 50% recrystallized…

Thermodynamics, and in particular entropy, has been found to be challenging for students, not least due to its abstract character. Comparisons with more familiar and concrete domains, by means of analogy and metaphor, are commonly used in thermodynamics teaching, in particular the metaphor "entropy is disorder." However, this particular…

For physical measurements, the compositions of solutions, especially electrolyte solutions, are expressed in terms of molality rather than mole fractions. The development of the necessary thermodynamic equations directly in terms of molality is not common in textbooks, and the treatment in the literature is not very systematic. We develop a…

The Wittig reaction is one of the most useful reactions in organic chemistry. Despite its prominence early in the organic chemistry curriculum, the exact mechanism of this reaction is still under debate, and this controversy is often neglected in the classroom. Introducing a simple computational study of the Wittig reaction illustrates the…

Elementary, middle-level, and high school science teachers commonly find their students have misconceptions about heat and temperature. Unfortunately, student misconceptions are difficult to modify or change and can prevent students from learning the accurate scientific explanation. In order to improve our students' understanding of heat and…

Computational chemistry is commonly addressed in the quantum mechanics course of undergraduate physical chemistry curricula. Since quantum mechanics traditionally follows the thermodynamics course, there is a lack of curricula relating computational chemistry to thermodynamics. A method integrating molecular modeling software into a semester long…

Only a few pedagogical experiments have been published dealing specifically with the hydrophobic interaction though it plays a central role in biochemistry. A set of experiments is presented in which students partition a variety of colorful indicator dyes in biphasic water/organic solvent mixtures. Students monitor the partitioning visually and…

In the 1960s, Tanzanian student Erasto Mpemba and his teacher published a paper with the title "Cool?" in this journal (Mpemba and Osborne 1969 "Phys. Educ." 4 172-5). They claimed that hot water freezes more quickly than cold water. The paper not only led to a wave of discussion, and more publications about this topic, but also to a whole series…