Search · four archives
Search · four archives
10 papers · ranked by Valyu relevance
Authors not listed
While the method of manual inspection reliably produces correct results at the introductory level, it can often appear untidy and unintuitive and lacks teachable depth. This paper presents a novel alternative approach designed to achieve the same outcomes as manual inspection but with enhanced clarity. It serves as…
Authors not listed
A method has been introduced to derive the solution of the time-independent Schrodinger equation for the simple harmonic oscillator. A trial solution has been chosen as the product of the divergent part of the approximate asymptomatic solution of the Schrodinger equation and an unknown function. By inserting this trial…
Authors not listed
Electrochemical impedance spectroscopy (EIS) is a powerful analytical technique for studying electrochemical systems, offering broad frequency range coverage and straightforward implementation. However, EIS measurements at low frequencies are limited by both lengthy acquisition times and the risk of disrupting…
harry gray
The matrix exponential method as implemented in MATLAB is demonstrated as a facile tool for solving the time-dependent concentrations of an arbitrary chemically reactive network modelled as a coupled linear system of first-order differential equations. The method is used to verify a 10 species network incorporating…
Authors not listed
The diffusion of CO2 and H2O in CALF-20 was examined at various concentrations and in N2 and He carrier gases. The data show that N2 has a measurable impact on the diffusion of CO2 and H2O in the pores of CALF-20. The results highlight the importance of considering N2 adsorption in CO2 capture materials and the effect…
Authors not listed
This report compares various simulation and data analysis methods for free induction decay (FID) signals in Nuclear Magnetic Resonance (NMR) Spectroscopy. The methods discussed include discrete fast Fourier transformation (FFT), least squares fitting (LSF), short-time Fourier transformation (STFT), and wavelet…
Markus Orsi, Daniel Probst, Philippe Schwaller, Jean-Louis Reymond
Chemical space maps help visualize similarities within molecular sets. However, there are many different molecular similarity measures resulting in a confusing number of possible comparisons. To overcome this limitation, we exploit the fact that tools designed for reaction informatics also work for alchemical processes…
Authors not listed
Deriving versatile and robust mechanistic models from experimental data is a key challenge in engineering and natural sciences. This is especially true in chemical reaction engineering, where reactor manufacturers and operators increasingly pursue the development and maintenance of digital twins that rely on frequent…
Adeleke Maradesa, Baptiste Py, Ting Hei Wan, Mohammed B. Effat + 1 more
Electrochemical impedance spectroscopy (EIS) is a characterization technique used widely in electrochemistry. Obtaining EIS data is simple when modern electrochemical workstations are used; however, analyzing EIS spectra is still a considerable quandary. The distribution of relaxation times (DRT) has emerged as a…
Authors not listed
Electrochemical impedance spectroscopy (EIS) coupled with distribution of relaxation times (DRT) analysis is a robust framework for characterizing electrochemical systems. However, DRT deconvolution is often plagued by spurious peaks, hindering accurate process identification and quantitative parameter estimation. To…