Abstract

MATSAS is a script-based MATLAB program for analysis of X-ray and neutron small-angle scattering (SAS) data obtained from various facilities. The program has primarily been developed for sedimentary rock samples but is equally applicable to other porous media. MATSAS imports raw SAS data from .xls(x) or .csv files, combines small-angle and very small angle scattering data, subtracts the sample background, and displays the processed scattering curves in log-log plots. MATSAS uses the polydisperse spherical (PDSP) model to obtain structural information on the scatterers (scattering objects); for a porous system, the results include specific surface area (SSA), porosity (Φ), and differential and logarithmic differential pore area/volume distributions. In addition, pore and surface fractal dimensions (D p and D s, respectively) are obtained from the scattering profiles. The program package allows simultaneous and rapid analysis of a batch of samples, and the results are then exported to .xlsx and .csv files with separate spreadsheets for individual samples. MATSAS is the first SAS program that delivers a full suite of pore characterizations for sedimentary rocks. MATSAS is an open-source package and is freely available at GitHub (https://github.com/matsas-software/MATSAS).

Highlights

  • The theoretical and methodological developments obtained over the past few decades have allowed the retrieval of structural information from Small-angle scattering (SAS) patterns to address questions revolving around the size, shape, distribution and orientation of scatterers (Konarev et al, 2006; Petoukhov et al, 2012)

  • It allows the analysis of data obtained from small-angle and very small angle scattering of neutrons and X-rays [very small angle neutron scattering (VSANS), small-angle neutron scattering (SANS), wide-angle X-ray scattering (WAXS), ultra-small-angle X-ray scattering (USAXS) and small-angle X-ray scattering (SAXS)]

  • MATSAS encompasses a set of modules allowing for a full analysis of (V)SANS and (V)SAXS data from porous systems, e.g. sedimentary rocks

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Summary

Introduction

Small-angle scattering (SAS) of neutrons and X-rays (SANS and SAXS, respectively) is widely used for the nondestructive study of the low-resolution structure of natural and engineered systems, including sedimentary rocks, biological macromolecules, composite nanomaterials and polymers on length scales between angstroms and micrometres in a single or combined experiment (Feigin & Svergun, 1987; Binder et al, 2000; Zemb & Lindner, 2002; Radlinski, 2006; Borsali & Pecora, 2008; Anovitz & Cole, 2015; Melnichenko, 2015; Fritzsche et al, 2016). Recognizing the increasing application of SAS data to analyse the pore structure of sedimentary rocks, especially lowpermeability rocks such as coal and mudrocks or gas shales (Radlinski, Ioannidis et al, 2004; Radlinski, Mastalerz et al, 2004; Radlinski et al, 2009; Mares et al, 2012; Clarkson et al, 2012; Mastalerz et al, 2012; Melnichenko et al, 2012; Bahadur et al, 2014, 2015; Anovitz et al, 2015; Leu et al, 2016; Busch et al, 2017, 2018; Anovitz & Cole, 2018; Sakurovs et al, 2018; Vishal et al, 2019; Blach et al, 2020), we have developed the program package MATSAS It allows the analysis of data obtained from small-angle and very small angle scattering of neutrons and X-rays [very small angle neutron scattering (VSANS), small-angle neutron scattering (SANS), wide-angle X-ray scattering (WAXS), ultra-small-angle X-ray scattering (USAXS) and small-angle X-ray scattering (SAXS)]. We summarize the main components of MATSAS and its development framework

Program overview
Data pre-processing
Data processing
Data analysis
Q7i n 162 À
Data post-processing
Conclusions
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