MUPen2DTool: A new Matlab Tool for 2D Nuclear Magnetic Resonance relaxation data inversion

A great variety of applications requires to process two-dimensional NMR (2DNMR) data to obtain information about the materials properties. In order to face the increasing request for software to easily process 2DNMR data, in (Bortolotti et al. (2019) [1]), the authors released Upen2dTool, an open source MATLAB software tool implementing nonnegatively constrained uniform penalty locally adapted norm-based regularization for 2DNMR data inversion. This paper presents MUPen2DTool a new open-source MATLAB software tool implementing an unconstrained multipenalty regularization method based on and norms. The new software MUPen2DTool outperforms Upen2dTool since the implemented uniform multipenalty method allows to compute very accurate 2DNMR data inversion at reduced computational cost. By means of MUPen2DTool, the user can choose among several types of NMR experiments, and the free software provides codes that can be used and extended easily. Furthermore, a MATLAB interface makes it easier to include users own data. The practical use is demonstrated in the reported examples of both synthetic and real NMR data

Investigation of the First Sorption Cycle of White Portland Cement by 1H NMR

This work is focused on the effects of drying/re-saturation cycles on the structure and components of White Portland Cement (WPC) samples. In particular, WPC of 0.5 water-to-cement ratio was studied by 1H Nuclear Magnetic Resonance (NMR) Relaxometry. A number of NMR sequences and different data processing methods were applied. Short (14 days of re-saturation) and long (6 months for the whole cycle) sorption cycles were investigated, using two drying methods: oven drying and drying under controlled relative humidity. The evolution during drying/re-saturation processes of interlayer space, gel pores, and bigger pores was followed by both the transverse relaxation times and the intensities of the nuclear magnetization. As a result of drying, reversible and irreversible changes in the pore structure, especially concerning the smaller porosity (interlayer and gel pores), were seen. Likewise, 1H signals in the crystalline phases of the cement were investigated by the standard Quadrature Echo method and by a more informative analysis based and a proper acquisition and processing of the longitudinal relaxation data. This analysis allowed the signal separation of 1H nuclei with higher and lower mobility (“solid” components). The NMR signal from this last component was analyzed on the basis of the Pake-Doublet theory in the time domain and two components were clearly detected, and assigned to 1H nuclei of crystalline water in Ettringite and OH groups in Portlandite. Reversible changes of the solid components of the cement samples were observed. This is a new method to deeply investigate the changes of solid components during sorption cycles