Ion transport, involving the diffusion and migration of ions within the electrolyte, stands as a fundamental concept in electrochemistry and serves as the driving force for electrochemical reactions. Electric double layers are critical in the fields of electrochemical energy storage and chemical conversion, constituting a central focus of…

Commonly used methods to simulate the oxidation-reduction (redox) titration curves include the three-step method and the rigorous method. The simple three-step method simulates the redox titration curve with the assumption that the reaction is complete, which is widely used in undergraduate quantitative analysis courses. For the rigorous…

Sensemaking is an important way of learning and engaging in science. Research has shown that sensemaking activities, such as questioning, hypothesizing, and model building, are pivotal in developing critical thinking and problem-solving skills in science education. This paper investigates the role of computational simulations in facilitating…

Computational and atmospheric chemistry are two important branches of contemporary chemistry. With the present topical nature of climate change and global warming, it is more crucial than ever that students are aware of and exposed to atmospheric chemistry, with an emphasis on how modeling may aid in understanding how atmospherically relevant…

Equilibrium is an essential concept in undergraduate physics curriculum as it integrates Newton's laws and torque. The importance also comes from its wide applications in mechanics and biomechanics. Simulations of Back and Arms are developed mainly for the undergraduates who major in physical therapy and health sciences. They are implemented as…

The present article demonstrates a way of programming using an Excel spreadsheet to teach Fourier series expansion in school/colleges without the knowledge of any typical programming language. By using this, a student learns to approximate partial sum of the n terms of Fourier series for some periodic signals such as square wave, saw tooth wave,…

When a shock wave interacts with a contact discontinuity, there may appear a reflected rarefaction wave, a deflected contact discontinuity and a refracted supersonic shock. The numerical simulation of shock wave refraction at a plane contact discontinuity separating gases with different densities is performed. Euler equations describing inviscid…

It is now required for teachers to incorporate computational thinking (CT) into their science classes. Our research modifies the existing structure of a science methods course for preservice teachers to include CT via modeling and simulations. In the first study, preservice teachers were introduced to the basics of coding through an Hour of Code…

Determining the error of measurement is a necessity for researchers engaged in bench chemistry, chemistry education research (CER), and a multitude of other fields. Discussions regarding what constructs measurement error entails and how to best measure them have occurred, but the critiques about traditional measures have yielded few alternatives.…

Using macroscopic thermodynamics, the general law for adiabatic processes carried out by an ideal gas was studied. It was shown that the process reversibility is characterized by the adiabatic reversibility coefficient r, in the range 0 [less than or equal] r [less than or equal] 1 for expansions and r [greater than or equal] 1 for compressions.…

Extreme-value statistics is often used to estimate so-called return values (actually related to quantiles) for environmental quantities like wind speed or wave height. A basic method for estimation is the method of block maxima which consists in partitioning observations in blocks, where maxima from each block could be considered independent.…

This article describes a mathematical biology workshop given to secondary school teachers of the Danville area in Virginia, USA. The goal of the workshop was to enable teams of teachers with biology and mathematics expertise to incorporate lesson plans in mathematical modelling into the curriculum. The biological focus of the activities is the…

Hydrogen activation on the (100) surface of MoS[2] structures was investigated by means of density functional theory calculations. Linear and quadratic synchronous transit methods with a conjugate gradient refinement of the saddle point were used to localize transition states. The calculations include heterolytic and homolytic dissociation of…