N.m.r. study of cellulose-water systems: Water proton spin-lattice relaxation in the rotating reference frame

Peemoeller, H.; Sharp, A. R.

doi:10.1016/0032-3861(85)90128-4

Cited by 19 publications

(15 citation statements)

References 10 publications

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“…The activation energy is equivalent to the amount of thermal energy required to move the water molecule from one binding site to another. An apparent activation energy of MCC with water moisture content of 20.5% was determined to be 7.4 ± 0.3 kcal mol −1 using the NMR technique . Considering that the calculated energy is for one water molecule, the value is reasonable compared to the experimental value.…”

Section: Resultsmentioning

confidence: 99%

Effects of Moisture on the Mechanical Properties of Microcrystalline Cellulose and the Mobility of the Water Molecules as Studied by the Hybrid Molecular Mechanics–Molecular Dynamics Simulation Method

Sahputra

Alexiadis

Adams

2019

J Polym Sci B Polym Phys

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A hybrid molecular mechanics–molecular dynamics simulation method has been performed to study the effects of moisture content on the mechanical properties of microcrystalline cellulose (MCC) and the mobility of the water molecules. The specific volume and diffusion coefficient of the water increase with increasing moisture content in the range studied of 1.8–25.5 w/w%, while the Young's modulus decreases. The simulation results are in close agreement with the published experimental data. Both the bound scission and free‐volume mechanisms contribute to the plasticization of MCC by water. The Voronoi volume increases with increasing moisture content. It is related to the free volume and the increase enhances the mobility of the water molecules and thus increases the coefficient of diffusion of the water. Moreover, with increasing moisture content, the hydrogen bonding per water molecule between MCC–water molecules decreases, thus increasing the water mobility and number of free water molecules. © 2019 The Authors. Journal of Polymer Science Part B: Polymer Physics published by Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2019, 57, 454–464

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Section: Resultsmentioning

confidence: 99%

Effects of Moisture on the Mechanical Properties of Microcrystalline Cellulose and the Mobility of the Water Molecules as Studied by the Hybrid Molecular Mechanics–Molecular Dynamics Simulation Method

Sahputra

Alexiadis

Adams

2019

J Polym Sci B Polym Phys

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“…2, part a) (Froix, Nelson 1975). In a more recent NMR study of cellulose water systems, Peemoeller and Sharp (1985) have defined three different phases of adsorbed water in cellulose. The authors have classified all of the water as bound, influenced by the presence of the cellulose chains: tightly bound, bound, and very loosely bound.…”

Section: Nmr Spectroscopy Of Sorbed Watermentioning

confidence: 99%

Cluster theory for water sorption in wood

1992

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A review of water interaction in cellulosic-systems, particularly wood, is presented.Discussed are the different states of water in these systems according to Nuclear Magnetic Resonance results, the BET, Dent, and Hailwood and Horrobin sorption isotherm models. The discussion includes details of water structure, and, conformational analysis of cellulose crystals and amorphous cellulose. The water cluster theory is used to more adequately explain the sigrnoid curve of the wood isotherm.

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“…Fig. 5 shows the R 1q dispersion profiles, constructed using the data presented in [4] for hydrated cellulose at moisture contents of 49.9% and 218%, measured at a proton resonant frequency of 17.1 MHz and at 25°C. Eq.…”

Section: Resultsmentioning

confidence: 99%

“…Water in biopolymers exist in at least two different environments [2][3][4]. The actual number of water fractions depends on the moisture content.…”

Section: Resultsmentioning

confidence: 99%

“…Many studies of spin-lattice relaxation time in the laboratory frame, T 1 , spin-spin relaxation time, T 2 and spin-lattice relaxation time in the rotating frame, T 1q , of different biopolymers have been reported in the literature [2][3][4][5][6][7][8][9][10]. For example, the molecular origin of nuclear spin relaxation has been examined in cellulose and its derivatives [4][5][6]. The effect of temperature on nuclear spin relaxation has been probed extensively in biopolymers in cell walls [7][8][9] in order to understand the behavior of main functional groups.…”

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Hydration water dynamics in biopolymers from NMR relaxation in the rotating frame

Blicharska¹,

Peemoeller²,

Witek³

2010

Journal of Magnetic Resonance

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N.m.r. study of cellulose-water systems: Water proton spin-lattice relaxation in the rotating reference frame

Cited by 19 publications

References 10 publications

Effects of Moisture on the Mechanical Properties of Microcrystalline Cellulose and the Mobility of the Water Molecules as Studied by the Hybrid Molecular Mechanics–Molecular Dynamics Simulation Method

Effects of Moisture on the Mechanical Properties of Microcrystalline Cellulose and the Mobility of the Water Molecules as Studied by the Hybrid Molecular Mechanics–Molecular Dynamics Simulation Method

Cluster theory for water sorption in wood

Hydration water dynamics in biopolymers from NMR relaxation in the rotating frame

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