RSC Advances
·
2016
·Vol. 6
·期 94
·91233-91242
·
IF 3.289
Shanshan Tang,Hailiang Zhao,Lin Du
The hydrogen bonds involving sulfur are generally regarded as weak hydrogen bonds in comparison with conventional ones. The O–H⋯O and O–H⋯S hydrogen bonds in the alcohol–ethylene oxide (EO) and alcohol–ethylene sulfide (ES) complexes in the gas phase have been investigated by FTIR spectroscopy. Three alcohols, methanol (MeOH), ethanol (EtOH) and 2,2,2-trifluoroethanol (TFE) were used as hydrogen bond donors, and comparable OH-stretching red shifts were observed for the complexes with EO and ES as hydrogen bond acceptors. DFT calculations were used to determine the stable structures and interaction energies of the complexes. The equilibrium constant for the complex formation was determined from the experimental integrated absorbance and the computational IR intensity of the OH-stretching transition band of the complex. The effect of CF3 substitution on the hydrogen bond strength in alcohol–EO/ES molecular complexes was investigated and the TFE complexes form much stronger hydrogen bonds than the MeOH and EtOH complexes. Atoms-in-molecules (AIM) analysis revealed that several hydrogen bond interactions were present in the complexes. In addition, the localized molecular orbital-energy decomposition analysis (LMO-EDA) was implemented to analyze the intermolecular interactions. The O–H⋯O and O–H⋯S hydrogen bonds were found to be of similar strength, on the basis of the geometric parameters, binding energies and AIM analysis.
研究领域:
化学
·
物理化学
✓ 已验证
产品关联
DOI
高影响因子
CHEMICAL ENGINEERING JOURNAL
·
2024
·
IF 13.3
Haiyun Ma,Lixia Yang,Chaoqun Yao,Shuainan Zhao,Fengjun Jiao,Guangsheng Luo,Guangwen Chen
The addition reaction of ethylene oxide (EO) and hydrazine hydrate (N 2 H 4 ·H 2 O) to β-hydroxyethyl hydrazine (HEH) is an important process for the synthesis of hydrazine-derived monopropellant in the aerospace industry. Due to the complexity of this reaction mechanism, it is difficult to reduce the formation of byproducts and efficiently obtain pure HEH. Hence it is necessary to investigate process behavior and establish kinetic network for further optimization. Here a continuous microflow system was developed to systematically investigate the synthesis of HEH under high pressure in the liquid–liquid form. A simple and effective pre-column derivatization method was applied to characterize and quantify the product. Subsequently, a thorough optimization of parameters, including N 2 H 4 ·H 2 O concentration, molar ratio (N 2 H 4 ·H 2 O/EO), temperature and reaction time, was conducted. Additionally, response surface methodology was employed to optimize the reaction conditions, illuminating the intricate interactions among the specified variables and achieving a high HEH yield of 96.97 %. Finally, a kinetic model was established, and the activation energies for the main reaction and side reaction were measured to be 38.31 kJ·mol −1 and 44.94 kJ·mol −1 , respectively. This kinetic model can enable the accurate determination of kinetic parameters and provide guidance for the process intensification of this EO addition reaction.
研究领域:
化学工程
·
航空航天工业
✓ 已验证
DOI
高影响因子
ACS Applied Materials & Interfaces
·
2022
·
IF 10.383
Yihan Zhen,Cuijuan Zhang,Yongdan Li
Nonaqueous redox flow batteries (NARFBs) have promise for large-scale energy storage with high energy density. Developing advanced active materials is of paramount importance to achieve high stability and energy density. Herein, we adopt the molecular engineering strategy by coupling tetraalkylammonium and an ethylene glycol ether side chain to design anthraquinone-based ionic active species. By adjusting the length of the ethylene glycol ether chain, an ionic active species 2-((9,10-dioxo-9,10-dihydroanthracen-1-yl)amino)-N-(2-(2-methoxyethoxy)ethyl)-(N,N-dimethylethan-1-aminium)-bis(trifluoromethylsulfonyl)imide (AQEG2TFSI) with high solubility and stability is obtained. Paired with a FcNTFSI cathode, the full battery provides an impressive cycling performance with discharge capacity retentions of 99.96% and 99.74% per cycle over 100 cycles with 0.1 and 0.4 M AQEG2TFSI, respectively.
研究领域:
材料科学
·
能源存储技术
✓ 已验证
产品关联
DOI
PubMed
高影响因子
IONICS
·
2014
·Vol. 21
·期 4
·909-915
·
IF 1.836
Xie Bo,Mai Yongjin,Wang Jinglun,Luo Hao,Yan Xiaodan,Zhang Lingzhi
A dinitrile compound containing ethylene oxide moiety (4,7-dioxa-1,10-decanedinitrile, NEON) is synthesized as an electrolyte solvent for high-voltage lithium-ion batteries. The introduction of ethylene oxide moiety into the conventional aprotic aliphatic dinitrile compounds improves the solubility of lithium hexafluorophosphate (LiPF 6 ) used commercially in the lithium-ion battery industry. The electrochemical performances of the NEON-based electrolyte (0.8 M LiPF 6 + 0.2 M lithium oxalyldifluoroborate in NEON:EC:DEC, v : v : v = 1:1:1) are evaluated in graphite/Li, LiCoO 2 /Li, and LiCoO 2 /graphite cells. Half-cell tests show that the electrolyte exhibits significantly improved compatibility with graphite by the addition of vinylene carbonate and lithium oxalyldifluoroborate and excellent cycling stability with a capacity retention of 97 % after 50 cycles at a cutoff voltage of 4.4 V in LiCoO 2 /Li cell. A comparative experiment in LiCoO 2 /graphite full cells shows that the electrolyte (NEON:EC:DEC, v : v : v = 1:1:1) exhibits improved cycling stability at 4.4 V compared with the electrolyte without NEON (EC:DEC, v : v = 1:1), demonstrating that NEON has a great potential as an electrolyte solvent for the high-voltage application in lithium-ion batteries.
研究领域:
材料科学
·
电化学
✓ 已验证
产品关联
DOI
高影响因子
CONSTRUCTION AND BUILDING MATERIALS
·
2020
·
IF 4.419
Hang Zhang,Miaomiao Hu,Yang Xu,Xiujian Xia,Chi Zhang,Yongjin Yu,Yakai Feng,Jintang Guo
Aberrant thickening of cement slurry caused by polycarboxylate retarders mainly refers to abnormal gelation and thickening time reversal (TTR) when temperature reaches above 120 °C. These phenomena would directly jeopardize cementing operation and hinder the application of polycarboxylate retarders in oil and gas exploitation. Herein, two functionalized polycarboxylate retarders were synthesized to overcome the challenges in complex conditions. The incorporation of isoprenyl oxy poly(ethyleneglycol) ether (TPEG) and [3-(methacryloylamino) propyl] trimethyl ammonium chloride (MAPTAC) was capable of preventing unfavorable “crosslinking and chelation” reaction between cement grains and polymer, thereby avoiding abnormal gelation. It was also found that the hydrophobic association behavior of long side chain in TPEG could cause the gradual release of carboxyl groups at elevated temperature, which was unfavorable for TTR inhibition. When the TPEG was replaced by N-Vinyl-2-Pyrrolidinone (NVP), its retarding effect gradually weakened when temperature rose from 130 °C to 150 °C, and excellent inhibition of TTR was achieved.
研究领域:
石油工程
·
材料科学
·
化学工程
✓ 已验证
产品关联
DOI
高影响因子
CHEMICAL ENGINEERING JOURNAL
·
2021
·
IF 13.273
Xiang Li,Shengzhao Zhang,Wei Li,Xinhui Xia,Xiuli Wang,Changdong Gu,Jiangping Tu
Replacing organic liquid electrolytes with solid-state electrolytes (SSEs) can effectively improve safety in conventional rechargeable sodium ion batteries. Herein, a mono-comb poly(siloxane-g-ethylene oxide) fiber membrane is proposed to construct fast sodium ion channels for solid electrolyte based on electrospinning polyacrylonitrile (PAN) fiber and the polymerization reaction between polymethylhydrosiloxane (PMHS) and methoxypolyethylene glycols (MPEG). The fiber membrane exhibits a high room-temperature ionic conductivity of 1.06 mS cm −1 , an electrochemical stability window of 4.8 V, and outstanding thermal stability and mechanical strength. A rechargeable Na/Na 3 V 2 (PO 4 ) 3 solid-state full cell based on the polymer electrolyte membrane exhibits a high initial discharge capacity of 114.3 mAh g −1 at 0.2C and a discharge capacity retention of 86.5% after 1000 cycles at 1C. These advantages make the mono-comb poly(siloxane-g-ethylene oxide) fiber membrane have a good prospect in safety sodium ion batteries.
研究领域:
材料科学
·
电化学
·
能源存储
✓ 已验证
DOI
高影响因子
危险品化学品经营许可证（带存储）