Determination of Hansen Solubility Parameters for the Solid Surface of Cellulose Acetate Butyrate by Inverse Gas Chromatography

Ramanaiah, S.; Rani, P. Reddi; Sreekanth, T.V.M.; Reddy, K. S.

doi:10.1080/00222341003784527

Cited by 17 publications

(6 citation statements)

References 19 publications

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“…16,17 The acrylonitrile content in NBR will affect the compatibility of small organic molecules and NBR, and the damping properties of the composite. 18,19 A number of experiments, including optical microscopy, 20 neutron scattering, 21 differential scanning calorimetry (DSC), 22 inverse gas chromatography, 23 and dynamic mechanical analysis (DMA) 24 were conducted in the past to investigate the compatibility. However, the compatibility can also be characterized by molecular dynamics (MD) simulation.…”

Section: Introductionmentioning

confidence: 99%

Effect of acrylonitrile content on compatibility and damping properties of hindered phenol AO-60/nitrile-butadiene rubber composites: molecular dynamics simulation

Song

Zhao

et al. 2014

RSC Adv.

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Section: Introductionmentioning

confidence: 99%

Effect of acrylonitrile content on compatibility and damping properties of hindered phenol AO-60/nitrile-butadiene rubber composites: molecular dynamics simulation

Song

Zhao

et al. 2014

RSC Adv.

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“…So the temperature is a factor to consider when selecting solvents. Theoretically, χ ∞ 12 should be larger than 1, for a polymer-non-solvent system, while χ ∞ 12 should be smaller than 0.5 for polymer-solvent systems; [10,26] i.e., χ ∞ 12 < 0.5: good solvents, 0.5 < χ ∞ 12 < 1: moderate solvents, χ ∞ 12 > 1: poor solvents. In addition, it has been proposed that 1 ∞ values greater than 10 are indicative of poor polymer-solute systems while lower values characterize good solubility for such systems.…”

Section: Resultsmentioning

confidence: 99%

Determination of the Solubility Parameter of Epoxidized Soybean Oil by Inverse Gas Chromatography

Wang

Chen

Tang

et al. 2013

Journal of Macromolecular Science, Part B

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The thermodynamic parameters of epoxidized soybean oil (ESO) were determined by means of inverse gas chromatography (IGC) in the temperature range of 303.15 K-343.15 K. Two groups of probe solvents with different chemical natures and polarities were used to obtain information about ESO. The thermodynamic parameters-such as molar heat of sorption, weight fraction activity coefficient, Flory-Huggins interaction parameter, and partial molar heat of mixing-were obtained to judge the interactions between ESO and solvents at the studied temperatures. Also, the solubility parameters of ESO were found by plotting the graph of δ 1 2 /(RT) -χ ∞ 12 /V 1 vs. solubility parameters, δ 1 , of the probes. The results showed that the selected solvent ethyl acetate was a moderate solvent for ESO; n-hexane was a moderate (but close to a better) solvent; while the probes n-heptane, n-octane, n-nonane, and chloroform were excellent solvents. From the extrapolation to 298 K, the solubility parameter value of ESO was 16.70 (J/cm 3 ) 0.5 .

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“…Table 1 lists the solubility parameters ( δ MD ) of CAB and each plasticizer, and the respective differences between the solubility parameters of CAB and those of different plasticizers (|Δ δ MD |) obtained by the MD simulation. The difference between the simulation δ of CAB (17.29) and reported δ (18.87) is very small [ 25 , 26 ], indicating that although MD simulation produces statistical uncertainties from the ideal simulation conditions and imperfection algorithm, the simulation results are mostly consistent with reality.…”

Section: Resultsmentioning

confidence: 99%

Study on Cellulose Acetate Butyrate/Plasticizer Systems by Molecular Dynamics Simulation and Experimental Characterization

Wang

Jin

et al. 2020

Polymers

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Cellulose acetate butyrate (CAB) is a widely used binder in polymer bonded explosives (PBXs). However, the mechanical properties of PBXs bonded with CAB are usually very poor, which makes the charge edges prone to crack. In the current study, seven plasticizers, including bis (2,2-dinitro propyl) formal/acetal (BDNPF/A or A3, which is 1:1 mixture of the two components), azide-terminated glycidyl azide (GAPA), n-butyl-N-(2-nitroxy-ethyl) nitramine (Bu-NENA), ethylene glycol bis(azidoacetate) (EGBAA), diethylene glycol bis(azidoacetate) (DEGBAA), trimethylol nitromethane tris (azidoacetate) (TMNTA) and pentaerythritol tetrakis (azidoacetate) [PETKAA], were studied for the plasticization of CAB. Molecular dynamics simulation was conducted to distinguish the compatibilities between CAB and plasticizers and to predict the mechanical properties of CAB/plasticizer systems. Considering the solubility parameters, binding energies and intermolecular radical distribution functions of these CAB/plasticizer systems comprehensively, we found A3, Bu-NENA, DEGBAA and GAPA are compatible with CAB. The elastic moduli of CAB/plasticizer systems follow the order of CAB/Bu-NENA>CAB/A3>CAB/DEGBAA>CAB/GAPA, and their processing property is in the order of CAB/Bu-NENA>CAB/GAPA>CAB/A3>CAB/DEGBAA. Afterwards, all the systems were characterized by FT-IR, differential scanning calorimetry (DSC), differential thermogravimetric analysis (DTA) and tensile tests. The results suggest A3, GAPA and Bu-NENA are compatible with CAB. The tensile strengths and Young’s moduli of these systems are in the order of CAB/A3>CAB/Bu-NENA>CAB/GAPA, while the strain at break of CAB/Bu-NENA is best, which are consistent with simulation results. Based on these results, it can be concluded that A3, Bu-NENA and GAPA are the most suitable plasticizers for CAB binder in improving mechanical and processing properties. Our work has provided a crucial guidance for the formulation design of PBXs with CAB binder.

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Determination of Hansen Solubility Parameters for the Solid Surface of Cellulose Acetate Butyrate by Inverse Gas Chromatography

Cited by 17 publications

References 19 publications

Effect of acrylonitrile content on compatibility and damping properties of hindered phenol AO-60/nitrile-butadiene rubber composites: molecular dynamics simulation

Effect of acrylonitrile content on compatibility and damping properties of hindered phenol AO-60/nitrile-butadiene rubber composites: molecular dynamics simulation

Determination of the Solubility Parameter of Epoxidized Soybean Oil by Inverse Gas Chromatography

Study on Cellulose Acetate Butyrate/Plasticizer Systems by Molecular Dynamics Simulation and Experimental Characterization

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