Month: November 2026

Complete guide to GX Spectra Library, a free Debian program: search IR, UV/Vis and NMR spectra in the NIST Chemistry WebBook and nmrshiftdb2, keep their original JCAMP-DX files in an offline library, export CSV and ZIP with provenance. Benzene example with 12 real screenshots, deep dives on the JCAMP-DX format, the SQLite catalogue and the benzene spectra, verification scripts.

CFD capstone project with OpenFOAM 14: a channel reactor with a homogenised porous insert, porosityForce and Darcy–Forchheimer, a 12-case campaign, pressure and flow-rate measurements written by the solver, balances, the exact solution of the developed stretch and the Brinkman layer, mesh study and GCI, a PFR kinetic estimate kept separate from the CFD and a first-order reaction solved by OpenFOAM, with all scripts and the downloadable archive.

Numerical methods and performance in OpenFOAM 14 with the pitzDailySteady tutorial: bounded, linearUpwind, upwind and limitedLinearV convection schemes, solvers, tolerances and residualControl, SIMPLEC and under-relaxation, iterative and discretisation error, decomposition and MPI speedup measured with repetitions, physical observables and the reattachment point, with all scripts and the downloadable archive.