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Furfural: fitting in kinetic ODE's
Uses Python 'minimize' in a system of ODE's.
2024.Jul.03 19:25:07
File to upload (Optional) Such as dataFurfural.xlsx (table of data)
Data table Data (matrix or 'csv').
Initial guesses Initial guesses for the parameters sought.
Complementary Complementary constants.
Computation mode     Mode ("bounded":  ≮ 0), and termination tolerance.
Show values Show graph coordinates.

Performs a regression from given kinetic data ('Data table' or Excel), to find the underlying parameters, ki, i = 1..n in a set of multiple functions of a single variable (t, as usual).

The embedded ODE's are ODEs, with [HE]0 given, and [FU]0 = [FU]0 = 0 (complementary constants 0).

This is an application of the Python 'minimize' function, in the 'scipy.optimize' module, a part of the Python 'SciPy' library.

Advantage is taken from: PHP, for the web page; Python for the numerical segment; and 'gnuplot', for plotting.

Draws a plot of the original and the adjusted data.


Computation structure — A PHP file (this page: 'P-furfural.php') calls (via 'action=...') an intermediate PHP file ('Furfural.php'), which (through $_POST) sends the problem data as command line arguments to a Python script. This last does the computing, and makes 'system' call(s) to 'gnuplot', for the final (temporary) webpage.

Files involved: P-furfural.php (this one), Furfural.php, furfuralODE.py.

Keywords: PHP, command line arguments, Python script, gnuplot.

References: Plate: FurfuralODE

• (Wikipedia) PHP (from Personal Home Page); Furfural (Lat., "furfur"; pt., farelo)"

• Python minimize [in Optimization and root finding (scipy.optimize)], accessed 12-Dec-2023.

• Li, X., et al., 2019, Industrial Crops & Products, 135, 196–205. DOI 10.1016/j.indcrop.2019.04.047   Here, K = 3 components and n = 2 parameters; reported k = (0.007892, 0.000422).

• CISTI'2024, 19.ª Conferencia Ibérica de Sistemas y Tecnologías de Información (19.th Iberian Conference on Information Systems and Technologies), Salamanca (Spain), 25–28 June 2024.

• 1882-12-11: Born, Max (†1970-01-05, 87 yrs.)

 
 
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Created: 2023-12-11 — Last modified: 2024-06-18