1996
DOI: 10.1007/bf02848226
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Structural study of aqueous solutions of tetrahydrofuran and acetone mixtures using dielectric relaxation technique

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Cited by 44 publications
(31 citation statements)
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“…To check that the fixed box size had limited influence on the dynamics, the minimum distance between any of the atoms of the lignin molecule to any other atoms of the periodic image of the lignin was computed for the lowest temperature simulations. The minimum distance was found to be (4.155 nm), and when compared to the estimated Bejerrum length of the highest THF concentration cosolvent system (3.475 nm), 46 was found to be ∼0.7 nm larger, which is large enough to prevent boxsize effects. The CHARMM-like lignin force-field 47 was used along with the recent CHARMM additive ether parameterization for THF 48,49 to provide the appropriate interaction potentials for our simulation.…”
Section: Methodsmentioning
confidence: 80%
“…To check that the fixed box size had limited influence on the dynamics, the minimum distance between any of the atoms of the lignin molecule to any other atoms of the periodic image of the lignin was computed for the lowest temperature simulations. The minimum distance was found to be (4.155 nm), and when compared to the estimated Bejerrum length of the highest THF concentration cosolvent system (3.475 nm), 46 was found to be ∼0.7 nm larger, which is large enough to prevent boxsize effects. The CHARMM-like lignin force-field 47 was used along with the recent CHARMM additive ether parameterization for THF 48,49 to provide the appropriate interaction potentials for our simulation.…”
Section: Methodsmentioning
confidence: 80%
“…c is the velocity of light, Z is the angular frequency and d is effective pin length [15][16][17][18]. The complex permittivity spectra were obtained from reflection coefficient spectra by applying the least squares fit method as described in our earlier publications [15][16][17][18]. …”
Section: Methodsmentioning
confidence: 99%
“…The complex permittivity of CsCl in water solutions was studied using Time Domain Reflectometry (TDR) [15][16][17][18]. The Hewlett Packard HP 54750A sampling oscilloscope along with HP54754A TDR plug in module has been used for the TDR setup.…”
Section: Methodsmentioning
confidence: 99%
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“…Extensive dielectric study has been done to understand molecular interactions in water and associative liquids such as ketone [1], amino acid [2,3], amide [4], and with carbon dioxide [5]. Alcohols with ketone [6], nitriles [7,8], p-fluorophenylacetonitrile [9], phenolic group [10,11], alkyl halids [12,13] were studied.…”
Section: Introductionmentioning
confidence: 99%