READ ME File For 'Stabilising Gold Nanoparticles for use in X-ray Computed Tomography Imaging of Soil Systems'

Dataset DOI: 10.5258/SOTON/D0882 (DOI not yet live. DOI will go live upon acceptance and publication of the paper)

ReadMe Author: Siul Ruiz, University of Southampton

This dataset supports the publication:
AUTHORS Callum P. Scotson, Maria Munoz-Hernando, Simon J. Duncan, Siul A. Ruiz, Samuel D. Keyes, Arjen van Veelen, Iain E. Dunlop, Tiina Roose
TITLE Stabilising Gold Nanoparticles for use in X-ray Computed Tomography Imaging of Soil Systems
JOURNAL Royal Society Open Science

This folder contains:
- Main codes:

	- Diffusion_1DIFpor.m - Function solves 1D convection-diffusion of gold nanoparticles through the 
	saturated soil cylinder considering the parameters obtained from the experimental set up (geometries, porosities,
	fluxes, etc.). The numerical model is solved using Crank-Nicolson method to insure stability for course time steps.

	- AU_in_f.m - Function imports data from data file "Mean_Slice_Values_Flow_Columns_Jan_19.xlsx" and normalizes 
	the concentraitons. Depth averaged concentrations at the initial time step and the final time step are assumed to be the 
	maximum and minimum concentrations respectively used for the normalization of the data. 

	- cost_maker.m - Function calls AU_in_f.m and Diffusion_1DIFpor.m, matches the grid partitions, and generates an
	objective function based on the sum of the squares for the differences in concentraitons along the depth for hours
	0, 1, and 2 hrs (differences between data concentration values and model concentraiton values). 

	- Au_fit.m - Function prescribes an initial effective diffusion-dispersion coefficient, calls cost_maker.m to generate
	an objective function, and runs MATLABS fmincon function to determine an optimal effective diffusion-dispersion
	coefficient that minimizes the objective function.


- Data:

	- Mean_Slice_Values_Flow_Columns_Jan_19.xlsx - Experimental data of the mean slice intensity (concentration) at a given 
	depth.

	- Copy of Liquid_Phase_Area_Values_Flow_Columns_Jan_19_Ratio.xlsx - Experimental data of the porosity at a given depth.


- Auxilary:

	- compute_flux.m - Computes the water flux used in this study based on experimental data.

	- AU_concentration_fit (.fig or .jpg) - Model fit compared to experimental data.

Date of data collection: Sept-18 to Jan-19

Information about geographic location of data collection: University of Southampton, U.K. 
