Molecular Mechanism Study on the Effect of Nonionic Surfactants with Different Degrees of Ethoxylation on the Wettability of Anthracite

A serious risk to the production safety of coal mines is coal dust. The wettability of coal may be successfully changed by adding surfactants to water. However, the creation of very effective dust suppressants is constrained by the lack of knowledge about the microscopic interaction mechanism between coal dust and surfactants. In this investigation, we explained macroscopic experimental phenomena from a molecular perspective. The lauryl polyoxyethylene ethers (C12 (EO)n, n = 7,15,23) were selected. The macromolecular model of anthracite with 55 different components was constructed. Surface tension experiments and hydrophilic lipophilic balance (HLB) calculations showed that the ability of surface hydrophilicization followed the order of C12 (EO)712 \u3e(EO)1512 \u3e(EO)23. Contact angle experiment, XPS and FTIR experiments proved that after the surfactants were adsorbed on the surface of anthracite, the content of carbon element decreased and the content of oxygen element increased, indicating the enhanced surface hydrophilicity. The simulation results showed that with the degree of ethoxylation increases, the adsorption strength of surfactants becomes stronger, and the hydrophilic head group of surfactant on anthracite surface is more uniformly distributed. The greater the degree of ethoxylation, the more powerfully the modified coal surface can bind to water molecules

Molecular Mechanism Study on the Effect of Nonionic Surfactants with Different Degrees of Ethoxylation on the Wettability of Anthracite

A serious risk to the production safety of coal mines is coal dust. The wettability of coal may be successfully changed by adding surfactants to water. However, the creation of very effective dust suppressants is constrained by the lack of knowledge about the microscopic interaction mechanism between coal dust and surfactants. In this investigation, we explained macroscopic experimental phenomena from a molecular perspective. The lauryl polyoxyethylene ethers (C12 (EO)n, n = 7,15,23) were selected. The macromolecular model of anthracite with 55 different components was constructed. Surface tension experiments and hydrophilic lipophilic balance (HLB) calculations showed that the ability of surface hydrophilicization followed the order of C12 (EO)7(EO)15(EO)23. Contact angle experiment, XPS and FTIR experiments proved that after the surfactants were adsorbed on the surface of anthracite, the content of carbon element decreased and the content of oxygen element increased, indicating the enhanced surface hydrophilicity. The simulation results showed that with the degree of ethoxylation increases, the adsorption strength of surfactants becomes stronger, and the hydrophilic head group of surfactant on anthracite surface is more uniformly distributed. The greater the degree of ethoxylation, the more powerfully the modified coal surface can bind to water molecules

Computational Study on the Microscopic Adsorption Characteristics of Linear Alkylbenzene Sulfonates with Different Chain Lengths on Anthracite Surface

In order to explore the influence of different lengths of hydrophobic carbon chains on the diffusion characteristics of surfactants on the surface of anthracite, six linear alkyl benzene sulfonates with different hydrophobic carbon chain lengths were selected (mC, m = 8, 10, 12, 14, 16, 18; m represents the numbers of carbon atoms in the hydrophobic carbon chain), and molecular dynamics (MD) simulations were adopted. Models of surfactant-anthracite, surfactant-graphite layer, and water-surfactant-anthracite were constructed. After analyzing a series of properties such as adsorption energy, diffusion coefficient, radial distribution function (RDF), and hydrophobic tail order parameters, it was found that 12C had the highest adsorption strength on the surface of anthracite; the reason was that 12C had the highest degree of aggregation near the oxygen-containing functional groups on the surface of anthracite. Further studies had found that the hydrophobic tail chain of 12C had the strongest isotropy. The study fills the gap in the systematic study of the diffusion characteristics of linear alkylbenzene sulfonates (LAS) with different chain lengths on the surface of anthracite, enriches and develops the basic theory of coal wettability, and also provides technical ideas for the design of new surfactants and new dust suppression agents

Molecular dynamics simulation of the effect of SDS / SDBS on the wettability of anthracite

In order to explore the microscopic mechanism of anionic surfactants in coal mine dust removal. Using molecular dynamics simulation methods, two commonly used anionic surfactants, sodium dodecyl sulfate (SDS) and sodium dodecylbenzene sulfonate (SDBS), were selected to study their effects on the wettability of anthracite. The surface roughness and interaction energy of the surfactant anthracite adsorption system were calculated. The relative concentration distribution and radial distribution function (RDF) of the water surfactant anthracite system were analyzed. The microscopic reasons for the wettability change of anthracite were discussed.The results show that there are two ways of adsorption of anionic surfactants on anthracite, the adsorption of the head group toward the surface of the anthracite and the adsorption toward the liquid phase; this adsorption is physical adsorption, and van der Waals interaction plays a leading role in the adsorption process; The presence of benzene ring in SDBS leads to tighter adsorption on the surface of anthracite, and the adsorption configuration is more stable. The results of RDF and coordination number further show that the hydrophobicity of SDS near the ketone group of anthracite is similar to that of SDBS; the hydrophobicity of SDBS near the hydroxyl group is stronger than that of SDS, which is the main reason for the stronger hydrophobicity and greater wettability change of anthracite after adsorption by SDBS; Benzene ring plays an important role in the change of wettability of anthracite. This provides a certain basis for the selection of surfactants in coal mine dust removal. The basic theory of wettability of anthracite has been enriched and developed. The molecular dynamics simulation evaluation of the adsorption behavior and wettability changes of these two anionic surfactants is in good agreement with the existing experimental data

Co-production of pigment and high value-added bacterial nanocellulose from Suaeda salsa biomass with improved efficiency of enzymatic saccharification and fermentation

This study evaluated the co-production of pigment and bacterial nanocellulose (BNC) from S. salsa biomass. The extraction of the beet red pigment reduced the salts and flavonoids contents by 82.7%–100%, promoting the efficiencies of enzymatic saccharification of the biomass and the fermentation of BNC from the hydrolysate. SEM analysis revealed that the extraction process disrupted the lignocellulosic fiber structure, and the chemical analysis revealed the lessened cellulase inhibitors, consequently facilitating enzymatic saccharification for 10.4 times. BNC producing strains were found to be hyper-sensitive to NaCl stress, produced up to 400.4% more BNC from the hydrolysate after the extraction. The fermentation results of BNC indicated that the LDU-A strain yielded 2.116 g/L and 0.539 g/L in ES-M and NES-M, respectively. In comparison to the control, the yield in ES-M increased by approximately 20.0%, while the enhancement in NES-M was more significant, reaching 292.6%. After conducting a comprehensive characterization of BNC derived from S. salsa through Scanning Electron Microscopy (SEM), Fourier Transform Infrared Spectroscopy (FTIR), X-ray Diffraction (XRD), and Thermogravimetric Analysis (TGA), the average fiber diameter distribution of these four BNC materials ranges from 22.23 to 33.03 nanometers, with a crystallinity range of 77%–90%. Additionally, they exhibit a consistent trend during the thermal degradation process, further emphasizing their stability in high-temperature environments and similar thermal properties. Our study found an efficient co-production approach of pigment and BNC from S. salsa biomass. Pigment extraction made biomass more physically and chemically digestible to cellulase, and significantly improved BNC productivity and quality

Microarray-Based Approach Identifies Differentially Expressed MicroRNAs in Porcine Sexually Immature and Mature Testes

MicroRNAs (miRNAs) are short non-coding RNA molecules which are proved to be involved in mammalian spermatogenesis. Their expression and function in the porcine germ cells are not fully understood.We employed a miRNA microarray containing 1260 unique miRNA probes to evaluate the miRNA expression patterns between sexually immature (60-day) and mature (180-day) pig testes. One hundred and twenty nine miRNAs representing 164 reporter miRNAs were expressed differently (p<0.1). Fifty one miRNAs were significantly up-regulated and 78 miRNAs were down-regulated in mature testes. Nine of these differentially expressed miRNAs were validated using quantitative RT-PCR assay. Totally 15,919 putative miRNA-target sites were detected by using RNA22 method to align 445 NCBI pig cDNA sequences with these 129 differentially expressed miRNAs, and seven putative target genes involved in spermatogenesis including DAZL, RNF4 gene were simply confirmed by quantitative RT-PCR.Overall, the results of this study indicated specific miRNAs expression in porcine testes and suggested that miRNAs had a role in regulating spermatogenesis

Reactive molecular dynamics simulations of the initial stage of brown coal oxidation at high temperatures

To investigate the detailed mechanisms for brown coal oxidation at high temperatures, a ReaxFF reactive forcefield was used to perform a series of molecular dynamics simulations from 1000?K to 2500?K. Analyses indicated that the chemical system tend to be more reactive with increasing temperature. It was found that the oxidation process of brown coal primarily initiates from hydrogen abstraction reactions by O2 and related oxygenated radicals from phenolic hydroxyl groups, methyl groups, especially carboxyl groups in lower temperature to form peroxygen species, or by either thermal decomposition of brown coal backbone in higher temperature. These peroxygen species usually could chemically adsorb on the C-centered radicals of brown coal backbone. The weak OO bond in peroxygen makes them easier to break into oxygenated radical, which could also chemically adsorb on the C-centred radical to form hydroxyl group and other oxygenated compounds. In the oxidation process of brown coal, the decomposition and oxidation of aliphatic chain is easier than aromatic ring. The chemisorption of peroxygen radical induces the breakage of aromatic ring and accelerates the depth oxidation of brown coal. An increasing number of products are observed with increasing temperature

Real-Time and Meter-Scale Absolute Distance Measurement by Frequency-Comb-Referenced Multi-Wavelength Interferometry

We report on a frequency-comb-referenced absolute interferometer which instantly measures long distance by integrating multi-wavelength interferometry with direct synthetic wavelength interferometry. The reported interferometer utilizes four different wavelengths, simultaneously calibrated to the frequency comb of a femtosecond laser, to implement subwavelength distance measurement, while direct synthetic wavelength interferometry is elaborately introduced by launching a fifth wavelength to extend a non-ambiguous range for meter-scale measurement. A linearity test performed comparatively with a He–Ne laser interferometer shows a residual error of less than 70.8 nm in peak-to-valley over a 3 m distance, and a 10 h distance comparison is demonstrated to gain fractional deviations of ~3 × 10−8 versus 3 m distance. Test results reveal that the presented absolute interferometer enables precise, stable, and long-term distance measurements and facilitates absolute positioning applications such as large-scale manufacturing and space missions