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1.
J Mol Model ; 30(8): 293, 2024 Jul 30.
Artículo en Inglés | MEDLINE | ID: mdl-39080083

RESUMEN

CONTEXT: Thermoplastic elastomer styrene-ethylene-butylene-styrene block copolymer (SEBS) has excellent mechanical properties and aging resistance, so it has good application prospects in thermoplastic solid propellants. The selection of plasticizer is one of the keys to the formulation design of thermoplastic solid propellant. The compatibility of the plasticizer with the polymer determines the plasticizer's ability to plasticize the polymer's molecular chain segments. Herein, the compatibility of four plasticizers with SEBS was investigated, and the results declared that the order of compatibility between SEBS and the four plasticizers is SEBS/WO > SEBS/DOS > SEBS/DEP > SEBS/TA. METHODS: Physical compatibility of SEBS binder with plasticizer triacetin (TA), diethyl phthalate (DEP), dioctyl sebacate (DOS), and 26# industrial white oil (WO) was simulated using molecular dynamics (MD) method via Materials Studio 8.0, and the simulation results were verified experimentally. The results showed that the compatibility of SEBS with these plasticizers can be comprehensively evaluated by analyzing solubility parameters, radial distribution functions, and blend miscibility simulations.

2.
ACS Omega ; 9(15): 17577-17591, 2024 Apr 16.
Artículo en Inglés | MEDLINE | ID: mdl-38645374

RESUMEN

In this study, graphene oxide (GO) was modified via electrostatic interactions and chemical grafting by silica (SiO2), and two SiO2@GO hybrids (GO-A and GO-B, respectively) with different structures were obtained and carefully characterized. Results confirmed the successful grafting of SiO2 onto the GO surface using both strategies. The distribution of SiO2 particles on the surface of GO-A was denser and more agglomerated, while it was more uniform on the surface of GO-B. Then, epoxy resin (EP)/GO composites were prepared. The curing mechanism of EP/GO composites was studied by differential scanning calorimetry and in situ infrared spectra spectroscopy. Results of tensile tests, hardness tests, dynamic mechanical analysis, and dielectric measurement revealed that EP/GO-B exhibited the highest tensile properties, with a tensile strength of 79 MPa, a 43% increase compared to raw EP. Furthermore, the addition of fillers improved the hardness of EP, and EP/GO-B showed the highest energy storage modulus of 1900 MPa. The inclusion of SiO2@GO hybrid fillers enhanced the dielectric constant, volume resistivity, and breakdown voltage of EP/GO composites. Among these, EP/GO-B displayed the lowest dielectric loss, relatively good insulation, and relatively high volume resistivity and breakdown voltage. A related mechanism was proposed.

3.
ACS Appl Mater Interfaces ; 15(48): 56293-56304, 2023 Dec 06.
Artículo en Inglés | MEDLINE | ID: mdl-37976105

RESUMEN

In this work, we synthesized polydopamine nanoparticles (PDNPs-M, M = I, II, III, and IV) with uniform particle sizes but varying l-arginine (Arg) contents (0%, 0.53%, 3.73%, and 6.62%) through a one-pot synthesis approach. Thin-film nanocomposite (TFN) membranes were fabricated via in situ interfacial polymerization (IP). The effects of the PDNPs-M chemical structure on the IP process and the consequent impacts on the structure and properties of the polyamide (PA) selective layer were investigated. The hydrophilicity and dispersibility of PDNPs-M exhibited an upward trend with the Arg content. Furthermore, Arg doping contributes to a denser and smoother PA layer. Among the TFC and TFN membranes, TFN-PDNPs-IV exhibited a water permeability of 3.89 L·m-2·h-1·bar-1 (55.1% higher than that of TFC-0) with a NaCl rejection rate of 98.8%, signifying superior water/salt selectivity. Additionally, TFN-PDNPs-IV exhibited regular pressure stability, commendable acid/alkali stability, and enhanced antifouling properties. These findings highlight the significant impact of nanoparticle hydrophilic functional groups on the structural and functional attributes of TFN membranes, offering a promising approach for developing advanced reverse osmosis membranes.

4.
Polymers (Basel) ; 15(18)2023 Sep 19.
Artículo en Inglés | MEDLINE | ID: mdl-37765675

RESUMEN

In this manuscript, nanofillers of graphene oxide (GO) and cellulose nanocrystal (CNC) with different weight ratios (G/C ratios), named GC 2:1, GC 4:1, GC 8:1, GC 16:1, and GC 32:1, were successfully prepared. Characterization methods such as Raman spectroscopy, X-ray photoelectron spectrometry (XPS), and thermogravimetric analysis (TGA) were performed. Additionally, the effects of these samples on the thermal stability, mechanical properties, and gas barrier properties of polysulfone (PSF) nanocomposites were investigated. A hydrophilic interaction took place between CNC and GO; as a consequence, CNCs were modified on the surface of GO, thus repairing the structural defects of GO. With the increase in G/C ratios, the repair effect of insufficient CNCs on the defects of GO decreased. The G/C ratio had a great influence on the improvement of mechanical properties, thermal stability, and gas barrier properties of nanocomposites. Compared with PSF/GC 2:1 and PSF/GC 32:1, the differences in the growth rates of tensile strength, elongation at break, and Young's modulus were 30.0%, 39.4%, and 15.9%, respectively; the difference in Td 3% was 7 °C; the difference in decline rate of O2 permeability was 40.0%.

5.
Polymers (Basel) ; 14(21)2022 Nov 01.
Artículo en Inglés | MEDLINE | ID: mdl-36365650

RESUMEN

This paper provides a comprehensive understanding of the amplitude- and frequency-dependent characteristics of rubber springs. The dynamic nonlinear inelasticity of rubber is a key academic problem for continuum mechanics and a bottleneck problem for the practical use of rubber structures. Despite intensive efforts witnessed in industrial applications, it still demands an unambiguous constitutive model for dynamic nonlinear inelasticity, which is known as the Payne effect. To this end, three types of rubber springs (shear-type (ST), compression-type (CT) and shear-compression-combination-type (SCCT)) were tested with amplitude and frequency sweeps in different conditions. We investigated and present changes in dynamic stiffness and loss factor with amplitude, frequency and the hysteresis loops of different rubber springs. We also propose a hypothesis and research strategy to study a constitutive model involving multiple factors of hyperelasticity, the Mullins effect, viscoelasticity and the Payne effect, which we hope will provide new ideas for the establishment of a constitutive equation.

6.
ACS Omega ; 7(41): 36551-36560, 2022 Oct 18.
Artículo en Inglés | MEDLINE | ID: mdl-36278034

RESUMEN

In this study, SiO2-grafted graphene oxide (GO-SiO2) was prepared using the oxygen-containing group on the GO surface as the active site of the reaction. The chemical structure, morphology, and particle size of GO and GO-SiO2 were carefully investigated by Fourier transform infrared (FT-IR) spectroscopy, X-ray photoelectron spectroscopy (XPS), X-ray diffraction (XRD), Raman spectroscopy, thermogravimetry, transmission electron microscopy, scanning electron microscopy, and atomic force microscopy, and the results proved that the grafting modification was successful. Furthermore, epoxy (EP)/GO composites were prepared, and the effects of unmodified GO and GO-SiO2 on the curing kinetics of EP were comparatively studied by differential scanning calorimetry (DSC). The results showed that, compared with neat EP and EP/GO, GO-SiO2 significantly reduces the curing temperature of the composites, indicating that GO-SiO2 has a more significant catalytic effect on the curing process of EP. The calculation results of the Kissinger method showed that the curing activation energy of EP/GO-SiO2 is obviously lower than that of EP/GO and neat EP. Results of the Ozawa method showed that the introduction of GO-SiO2 reduces the curing activation energy during the whole curing process, and in the middle and late stages of curing (α = 0.5-1) can significantly reduce the curing activation energy. The related mechanism has been proposed.

7.
ACS Omega ; 7(20): 17098-17107, 2022 May 24.
Artículo en Inglés | MEDLINE | ID: mdl-35647447

RESUMEN

A near-infrared (NIR) spectrometer was used to test the double-base absorbent powder sample and to quantitatively analyze the contents of each component as well as their dispersion uniformity to establish a rapid quantitative test method for blending uniformity of modified double-base (MDB) propellant components. First, the quantitative calibration models of hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) were constructed based on sample testing, and the RDX model's correlation coefficient was 0.9929. Then, during the blending process, NIR spectra were continually collected. For the original spectra of samples, the blend uniformity was assessed using the coefficient of moving block standard deviation (MBSD). After 160 min, the sample's MBSD value had reached a steady state of less than 0.003, indicating that the sample's components were distributed uniformly. The findings reveal that NIR spectroscopy can be used to verify the blending uniformity of MDB propellant components.

8.
Polymers (Basel) ; 13(17)2021 Aug 31.
Artículo en Inglés | MEDLINE | ID: mdl-34502971

RESUMEN

The effects of MXene on the crystallization behavior of ß-nucleated isotactic polypropylene (iPP) were comparatively studied. The commonly used MXene Ti3C2Tx was prepared by selective etching and its structure and morphology were studied in detail. Then MXene and a rare earth ß-nucleating agent (NA) WBG-II were nucleated with iPP to prepare samples with different polymorphic compositions. The crystallization, melting behavior, and morphologies of neat iPP, iPP/MXene, iPP/WBG-II, and iPP/MXene/WBG-II were comparatively studied. The crystallization behavior analysis reveals that a competitive relationship exists between MXene and WBG-II when they were compounded as α and ß nucleating agents. In the system, the ß-nucleation efficiency (NE) of WBG-II is higher than α-NE of MXene. The ß-phase has relatively low thermal stability and would transform to α-phase when cooled below a critical temperature.

9.
ACS Omega ; 6(15): 10362-10370, 2021 Apr 20.
Artículo en Inglés | MEDLINE | ID: mdl-34056189

RESUMEN

Poly-l-lactic acid (PLLA) is a prospective renewable and degradable material, but slow crystallization limits its processing and application. By dehydration condensation of hydroxyl-terminated hyperbranched resin (H202) and carboxylated carbon nanotubes (CNTs), a modified CNT, CNTs-H202, was obtained. Grafting was confirmed by Fourier transform infrared (FTIR) spectroscopy, and the grafting content was assessed by thermogravimetric analysis (TGA). Changes in surface atom content were explored by X-ray electron spectroscopy (XPS). Transmission electron microscopy (TEM) observed the increase of black dots on the surface of carbon nanotubes. PLLA/CNTs and PLLA/CNTs-H202 composites were prepared, and differential scanning calorimetry (DSC) was used to investigate the crystallization behavior of the composites. The results showed that during the cooling process, PLLA/CNTs-H202 had a larger crystalline full width at half-maximum (FWHM) compared with PLLA/CNTs and exhibited the ability to hinder chain segment movement during the subsequent reheating process. The crystallization activation energy was calculated by the Kissinger method, and it was found that the activation energy of the carbon tube increased slightly after grafting. Wide-angle X-ray diffraction (WAXD) once again proved the improvement of the crystallization ability. The results of polarized optical microscopy (PLOM) showed that the number of crystal nuclei increased and the crystal became smaller.

10.
RSC Adv ; 9(18): 9962-9967, 2019 Mar 28.
Artículo en Inglés | MEDLINE | ID: mdl-35520913

RESUMEN

Zeolitic imidazolate framework-67 (ZIF-67), a new kind of metal-organic framework, has large surface area as well as outstanding thermal and chemical stability. In this paper, micro-sized ZIF-67 crystals were prepared and further employed as the reinforcing material to design novel paraffin-based composite phase change materials (PCMs) with a polymethyl methacrylate (PMMA) shell. The composite PCMs were fabricated by using a ZIF-67 crystal-stabilized oil-in-water (O/W) Pickering emulsion as a template. Morphologies and thermal properties of the prepared composite PCMs with different contents of ZIF-67 crystals were determined by SEM, DSC and TGA. Results showed that the ZIF-67 concentration in the emulsion system has a significant effect on the microstructure, phase change behavior and thermal stability of the resultant composite PCMs. When adding 1.5 g of ZIF-67 crystals, the resultant composite PCMs achieved a stable sphere-like structure and had about 106.06 J g-1 of latent heat. The prepared composite PCMs also exhibited a good thermal stability. Compared with pure paraffin, the thermostability of the shape-stabilized paraffin was significantly enhanced at a low content of ZIF-67 crystals.

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