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Zhang, Ning,Li, Weizhong,Chen, Cong,Zuo, Jianguo,Weng, Lindong Korean Chemical Society 2013 Bulletin of the Korean Chemical Society Vol.34 No.9
Hydrogen bonding interaction between alcohols and water molecules is an important characteristic in the aqueous solutions of alcohols. In this paper, a series of molecular dynamics simulations have been performed to investigate the aqueous solutions of low molecular weight alcohols (methanol, ethylene glycol and glycerol) at the concentrations covering a broad range from 1 to 90 mol %. The work focuses on studying the effect of the alcohols molecules on the hydrogen bonding of water molecules in binary mixtures. By analyzing the hydrogen bonding ability of the hydroxyl (-OH) groups for the three alcohols, it is found that the hydroxyl group of methanol prefers to form more hydrogen bonds than that of ethylene glycol and glycerol due to the intra-and intermolecular effects. It is also shown that concentration has significant effect on the ability of alcohol molecule to hydrogen bond water molecules. Understanding the hydrogen bonding characteristics of the aqueous solutions is helpful to reveal the cryoprotective mechanisms of methanol, ethylene glycol and glycerol in aqueous solutions.
Ning Zhang,Weizhong Li,Cong Chen,Jianguo Zuo,Lindong Weng 대한화학회 2013 Bulletin of the Korean Chemical Society Vol.34 No.9
Hydrogen bonding interaction between alcohols and water molecules is an important characteristic in the aqueous solutions of alcohols. In this paper, a series of molecular dynamics simulations have been performed to investigate the aqueous solutions of low molecular weight alcohols (methanol, ethylene glycol and glycerol) at the concentrations covering a broad range from 1 to 90 mol %. The work focuses on studying the effect of the alcohols molecules on the hydrogen bonding of water molecules in binary mixtures. By analyzing the hydrogen bonding ability of the hydroxyl (-OH) groups for the three alcohols, it is found that the hydroxyl group of methanol prefers to form more hydrogen bonds than that of ethylene glycol and glycerol due to the intra-and intermolecular effects. It is also shown that concentration has significant effect on the ability of alcohol molecule to hydrogen bond water molecules. Understanding the hydrogen bonding characteristics of the aqueous solutions is helpful to reveal the cryoprotective mechanisms of methanol, ethylene glycol and glycerol in aqueous solutions.
Jayaramudu, Tippabattini,Ko, Hyun-U,Zhai, Lindong,Li, Yaguang,Kim, Jaehwan Taylor Francis 2017 Soft materials Vol.15 No.1
<P>This paper reports polyvinyl alcohol/cellulose-based electroactive hydrogels for actuator applications. The polyvinyl alcohol/cellulose electroactive hydrogels were obtained by physical crosslinking of polyvinyl alcohol and cellulose. The formation of the polyvinyl alcohol/cellulose hydrogel structure, its thermal stability, crystallinity, and mechanical properties were studied by using the Fourier transform infrared spectroscopy, scanning electron microscopy, thermogravimetric analysis, differential scanning calorimetry, X-ray diffraction, and mechanical test. The studies reveal that the cellulose is uniformly reacted with hydroxyl groups of polyvinyl alcohol by intermolecular bond formation. The cellulose content along with actuation voltage and frequency of electroactive hydrogels influence their displacement behavior.</P>
Jinkun Sun,Rita Yi Man Li,Lindong Li,Chenxi Deng,Shuangshi Ma,Liyun Zeng Techno-Press 2023 Advances in concrete construction Vol.15 No.5
Fast infrastructure development boosts the demand for shotcrete. Despite sand and stone being the most common coarse and fine aggregates for shotcrete, excessive exploration of these materials challenges the ecological environment. This study utilized an industrial solid waste, high-titanium heavy slag, blended with steel fibers to form Wet Shotcrete of Steel Fiber-reinforced High-Titanium Heavy Slag (WSSFHTHS). It investigated its workability, shotcrete performance and mechanical properties under different water-to-cement ratios, fly ash content, superplasticizer dosage, and steel fiber content. The tunnel excavation and support were investigated by conducting finite element numerical simulation analysis and was used in 3 tunnel lining pipes in Zhonggouwan tailing pond. The major findings are as follows: (1) The water-to-cement ratio (w/c ratio) significantly impacted the compressive strength of WSSFHTHS. The highest 28-day compressive strength of 60 MPa was achieved when the w/c ratio was 0.38; (2) Adding fly ash improved the workability and shotcrete performance and strength development of WSSFHTHS. The best anti-permeability performance was achieved when the fly ash constituted 15%, with the lowest permeability coefficient of 4.596 × 10-11 cm/s; (3) The optimum superplasticizer dosage for WSSFHTHS is 0.8%. It provided the best workability and shotcrete performance. Excessive dosage resulted in water bleeding and poor aggregate encapsulation, while insufficient dosage decreased flowability and adversely affected shotcrete performance; (4) The dosage of steel fibers significantly impacted the flexural and tensile strength of WSSFHTHS. When the steel fiber dosage was 45 kg/m<sup>3</sup>, the 28-day flexural and tensile strengths were 8.95 MPa and 6.15 MPa, respectively; (5) By integrating existing shotcrete techniques, the optimal lining thickness was 80 mm for WSSFHTHS per simulation. The results revealed that after using WSSFHTHS, the displacement of the tunnel surrounding the rock significantly improved, with no cracks or hollows, similar to the simulation results.