Total Neutron Scattering

Sørby, Magnus H.

doi:10.1007/978-3-319-22792-4_4

Neutron Scattering and Other Nuclear Techniques for Hydrogen in Materials

2016

DOI: 10.1007/978-3-319-22792-4_4

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Total Neutron Scattering

Magnus H. Sørby

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2019

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“…Recent developments in Neutron Total Scattering techniques facilitate the continuous structural measurements covering the length scale from 0.01 angstrom to 10 nanometres 17 . The new instrumentation NIMROD 18 when combined with deuteriumlabelling techniques and molecular dynamic (MD) simulation allows us to connect the most-probable all-atom positions of the mixed solvent with the macromolecule conformation.…”

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confidence: 99%

Water/Cosolvent Attraction Induced Phase Separation: A Molecular Picture of Cononsolvency

Zuo

Jiao

et al. 2019

Macromolecules

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Cononsolvency is a phenomenon for which the solubility of a macromolecule decreases or even vanishes in the mixture of two good solvents. Although it has been widely applied in physicochemical, green chemical and pharmaceutical industry, its origin is still under active debate. Here, by using combined neutron total scattering, deuterium-labelling and all-atom molecular dynamic simulations, we demonstrated that it is the strong water/cosolvent attraction that leads to the cononsolvency. The combined approach presented here has opened a new route for investigating the most probable allatom structure in macromolecular solutions and the thermodynamic origin of solubilities.The solubility of macromolecules is of fundamental importance in many scientific disciplines and industrial applications. Unfortunately, the existing theoretical framework to describe the solvation of macromolecules are constructed primarily based on empirical observations without knowing the real solubility parameters, which cannot be measured directly 1, 2 . One problematic consequence of this inability to directly measure the real macromolecular solubility parameter, is that several important dissolution phenomena cannot then explained in the existing framework of understanding; cononsolvency is a typical example 3 .Since the first evidence of cononsolvency was found in the 1980s, theoretical debates on its origin have continued. Currently, there are four main hypotheses, i.e., the perturbation of the water-cosolvent interaction with the presence of polymer network 4 , Competitive adsorption 5, 6 , the formation of a stoichiometric complexation between water and cosolvent 7 , and strong water-cosolvent interactions 8 . Although still widely considered, we note that the first hypothesis was tarnished when Schild et al. 9 found that similar cononsolvency phenomena happened in both macromolecular dilute solution and

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confidence: 99%

Water/Cosolvent Attraction Induced Phase Separation: A Molecular Picture of Cononsolvency

Zuo

Jiao

et al. 2019

Macromolecules

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Total Neutron Scattering

Cited by 1 publication

References 74 publications

Water/Cosolvent Attraction Induced Phase Separation: A Molecular Picture of Cononsolvency

Water/Cosolvent Attraction Induced Phase Separation: A Molecular Picture of Cononsolvency

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