Petroleum Science
·
2022
·
IF 4.757
Fan Ding,Tao Shen,Shan-Shan Mao,Xin Jin,Mang-Lai Gao
For further understanding the wettability alteration induced by organic salts, series of bis -imidazolium salts (EBMI, TBMI, HBMI, OBMI and DBMI) were employed for investigating their adsorption behavior and wettability alteration on vermiculite (Vt) by experimental and theoretical studies. The characterization results indicated that all bis -imidazolium salts had been loaded on Vts. The adsorption results showed that EBMI, TBMI, HBMI, OBMI and DBMI on Vt reached equilibrium of 0.159, 0.156, 0.145, 0.114 and 0.084 mmol g −1 around 30 min at 25 °C, respectively, which were sensitive to ionic strength and pH. Langmuir, statistical physical modelling and pseudo-second-order models could be well fitted with the adsorption data, and thermodynamic parameters suggested that the adsorption processes of bis -imidazolium salts were endothermic and spontaneous, indicating that the resultant bis -imidazolium salts could be self-assembled onto Vt in the form of the monolayer. Results of molecular dynamic simulation showed that bis -imidazolium salts were adsorbed on Vt with the lying-flat configuration, and the electrostatic interaction acted as the main interaction mechanism, which were consistent with that obtained experimentally. Changes of wettability of Vt induced by bis -imidazolium salts were verified by capillary rise experiments. Interestingly, the wettability of organo-Vts varied with the spacer length and the order was as follows: EBMI-Vt < TBMI-Vt < HBMI-Vt < OBMI-Vt < DBMI-Vt, which could be explained by their arrangements, hydrophobicity as well as the interaction energies. The longer the spacers of bis -imidazolium salts, the greater the absolute values of the interaction energy, the less the adsorbed bis -imidazolium salts, while the more hydrophobic of organo-Vt. This work aimed at revealing the adsorption behavior, mechanism as well as effect of bis -imidazolium salts on wettability alteration of negatively charged mineral surface, providing some information for the selection of flooding agent for enhanced oil recovery and wettability modifier.
研究领域:
化学
·
材料科学
·
石油工程
✓ 已验证
DOI
高影响因子
Communications Materials
·
2024
·Vol. 5
·期 1
·1-9
·
IF 7.5
Xu Yuangang,Zhou Jianxin,Li Xinyi,Hou Tianyang,Xu Ze,Wang Pengcheng,Lu Ming
Because of its high energy, aromaticity, and carbon- and hydrogen-free structure, the cyclo -pentazolate anion ( c -N 5 - ) has attracted increased attention as a potential polynitrogen structural unit for the research of next-generation high energy density materials. However, the poor thermal stability of c -N 5 - -based compounds has become an important factor restricting their development. Here, we show that a hydrogen-bonded organic framework (HOF) self-assembles with and stabilizes c -N 5 - , with c -N 5 - situated in the pores of the resulting framework through the formation of symmetrical c -N 5 - hydrogen bonds as the main stabilizing factors. These factors result in an onset decomposition temperature of 153 °C for the c -N 5 - @HOF portion, which exceeds the thermal stabilities generally observed for c -N 5 - -based derivatives of below 135 °C. We envisage that further c -N 5 - -based materials with enhanced stabilities and better performance will be developed in the future.
研究领域:
化学
·
材料科学
✓ 已验证
DOI
高影响因子
Advanced Sustainable Systems
·
2022
·Vol. 6
·期 3
·2100380
·
IF 6.737
Zhengyi Li,Hu Li,Song Yang
Catalytic upgrading of CO 2 into value-added chemicals to build the excess carbon cycle is of great significance. In this work, carboxylate-functionalized zeolitic imidazolate framework (F-ZIF-90) with good crystallinity and porosity is constructed from ZIF-90 and employed as a robust heterogeneous catalyst to boost the reductive N -functionalization of various amines with CO 2 to furnish N -formyl compounds (up to 99% yield) in the presence of PhSiH 3 under an ambient environment. The imidazole carboxylate species ( COO - ) can not only activate hydrosilane and CO 2 to form the key intermediate formoxysliane but also activate amines to participate in the N -formylation reaction to obtain the target product. Moreover, it can enhance the catalyst capture and exchange ability toward ambient CO 2 . The powerful adsorption capacity of the F-ZIF-90 catalyst toward CO 2 is conducive to elevating CO 2 concentration around the active species. Theoretical calculations show that the carboxylate-mediated conversion path undergoes the transition state of hydrosilane activation with a relatively lower energy barrier (Δ G = 26.9 kcal mol –1 ). F-ZIF-90 exhibits good thermochemical stability with no obvious activity attenuation after repeated use 5 times. This strategy opens a new avenue based on ZIFs to develop heterogeneous catalysts for reductive upgrading of CO 2 .
研究领域:
催化
·
材料科学
·
化学工程
·
环境化学
✓ 已验证
DOI
高影响因子
MOLECULAR DIVERSITY
·
2024
·
IF 3.9
Ding Shu-Yan,Yang Yu-Xuan,Liu Chuang,Quan Xu-Yin,Zhao Zi-Han,Jin Cheng-Hua
Four series of sulfonamide derivatives ( 13a – b , 14a – d , 15a – b , and 16a – d ) were synthesized and evaluated for their activin receptor-like kinase 5 (ALK5) inhibitory activities. Of these, compounds 13b (IC 50 = 0.130 μM) and 15a (IC 50 = 0.130 μM) showed the highest inhibitory activities against ALK5 kinase, with activities similar to the positive control LY - 2157299 . Notably, we discovered that introduction of sulfonamide group at the 2-position of the central imidazole ring significantly increased ALK5 inhibitory activity. Compounds 13b and 15a did not show toxicity in A549 cells up to the maximum concentration of 50 μM, and effectively inhibited TGF-β1-induced Smad-signaling and cell motility in A549 cells. The results indicate that compounds 13b and 15a are worth of further development as anticancer agents.
研究领域:
药物化学
·
分子生物学
·
肿瘤学
✓ 已验证
DOI
PubMed
高影响因子
Journal of Environmental Chemical Engineering
·
2021
·
IF 5.909
Zhaofeng Wang,Nan Sun,Xi Ma,Jiyou Gu,Pengfei Huo,Yang Liu,Changwei Liu
Zwitterionic polymers have attracted widespread attention and are recognized as ideal materials in various potential applications of membrane-based separation due to its superior hydrophilicity and excellent antifouling properties. Therefore, a new type of bisphenol monomer with two tertiary amine groups named 2,2'-dimethylaminemethylene-4,4'-dihydroxydiphenylmethane (DABPM) was particularly designed and prepared. Then, the novel poly(aryl ether oxadiazole) (ZPAEO) was synthesized by low-temperature polycondensation and quaternary amination reaction. The chemical structures of the synthetic monomer and polymers were characterized by MS NMR and XPS analysis, and the inherent viscosities, molecular weights and solubility behaviors of the obtained polymers were also thoroughly studied. Subsequently, the ZPAEO membrane was fabricated by through the immersion precipitation phase inversion method. Compared with the reference PAEO membrane, the pore size, porosity and hydrophilicity of the ZPAEO membrane were greatly improved because of the existence of zwitterionic groups, resulting in a significant increase in the water permeability. The results of static adsorption and dynamic cycle ultrafiltration experiments of bovine serum albumin (BSA) solution showed that the ZPAEO membrane had excellent antifouling performance, which was demonstrated by the flux decline ratio. In addition, water flux recovery ratio of the ZPAEO membrane was retained at 97.7% after a three-cycles of BSA solution filtration, which was much higher than that of the PAEO membrane (81.2%), indicating superior long-term performance stability. As a membrane material, ZPAEO is expected to be widely used in various industrial separation and purification fields, which can be demonstrated by these findings.
研究领域:
材料科学
·
膜分离技术
✓ 已验证
DOI
高影响因子
International Journal of Electrochemical Science
·
2023
·
IF 1.5
Chuan Lai,Hongxia Yang,Xiaogang Guo,Xiulan Su,Lvshan Zhou,Lei Zhang,Bin Xie
The new organic corrosion inhibitor of 2-( p -bromobenzylthio)-1 H -benzimidazole (Br-BBD) was synthesized in this work. After prepared, the adsorption and corrosion inhibition performance of Br-BBD for Q235 steel in HCl solution were studied using EIS, SEM, polarization measurement and WLM (weight loss measurement). The results exhibit that Br-BBD acts as an excellent corrosion inhibitor for Q235 steel in HCl solution, and the inhibition efficiency can reach up to 98.07% when the Br-BBD concentration is 50 mg L -1 in 1.0 M HCl at 25°C. In addition, the adsorption of the mixed-type inhibitor of Br-BBD on Q235 steel surface obey Langmuir adsorption isotherm, which is governed by spontaneous chemisorption mechanism.
研究领域:
材料科学
·
化学工程
✓ 已验证
DOI
高影响因子
Solar RRL
·
2020
·Vol. 5
·期 3
·2000720
·
IF 7.527
Lian Wang,Lin Fu,Bo Li,Hui Li,Lu Pan,Bohong Chang,Longwei Yin
Despite the conspicuous achievements in perovskite solar cells (PSCs), further improvement of the power conversion efficiency (PCE) is hindered by substantially detrimental carrier recombination resulting from the high interfacial charge defect density and inferior charge transport kinetics. Herein, an interface engineering strategy is developed to introduce a Lewis base thiophene or thiazole–modified C 3 N 4 layer at the electron transfer layer (ETL)/perovskite interface to constitute a stepwise energy band alignment and passivate defects at interfaces of the perovskite film. Attributed to its well-matched energy level with TiO 2 and perovskite, the charge extraction efficiency and charge transfer dynamics can be promoted remarkably, greatly inhibiting charge recombination at the interface. Furthermore, thiophene and thiazole can donate the lone pair electrons in S or N atoms to undercoordinated Pb 2+ , which effectively passivates the electronic trap states caused by halogen vacancies, thereby greatly minimizing trap-assisted nonradiative recombination in the PSCs. Eventually, the thiazole–C 3 N 4 /perovskite-based devices acquire an outstanding efficiency of 19.23%, supported by an enhanced open-circuit voltage ( V OC ) of 1.11 V with improved moisture stability. This work provides an avenue for interfacial energy level modulation and defect passivation strategies for a rational interface microstructure design for meliorating the performance of PSCs.
研究领域:
材料科学
·
能源科学
✓ 已验证
DOI
高影响因子
CHEMICAL ENGINEERING JOURNAL
·
2019
·
IF 8.355
Yafei Sang,Jianhan Huang
Porous materials with high Brunauer-Emmett-Teller (BET) surface area ( S BET ) and abundant ionic active sites facilitate efficient CO 2 capture and conversion. Herein, a kind of novel benzimidazole-based hyper-cross-linked poly(ionic liquid)s (HPILs) were developed via the hyper-cross-linking strategy and the as-prepared HPILs possessed high S BET (485–780 m 2 /g), plentiful micro/mesoporosity, and abundant ionic active sites. The HPILs showed noteworthy CO 2 uptake (79–143 mg/g at 273 K and 1.0 bar), moderate isosteric heats (32–45 kJ/mol), and acceptable CO 2 /N 2 selectivity (IAST: 23–46). Intriguingly, HPILs-Cl-2 exhibited excellent catalytic activity for CO 2 cycloaddition and 99% of propylene oxide was successfully converted to cyclic carbonates under mild conditions (70 °C, 0.1 MPa CO 2 , 9 h). This synthetic strategy is of great importance for the functionalized hyper-cross-linked polymers and the synthesized HPILs are promising for efficient CO 2 capture and conversion under mild conditions.
研究领域:
材料科学
·
环境科学
·
化学工程
✓ 已验证
DOI
高影响因子
CRYSTAL GROWTH & DESIGN
·
2022
·
IF 4.01
Qamar-un-Nisa Tariq,Yu-fan Bi,Saira Manzoor,Maher-un-Nisa Tariq,Wen-Li Cao,Wen-Shuai Dong,Jian-Guo Zhang
Due to the acidity and the limited applications of 3,4-dinitropyrazole (DNP), two types of nitrogen-rich energetic cocrystals (DD1 and DD2) based on DNP and 3,4-diaminofurazan (DAF) were synthesized. The magnificently grown cocrystals were thoroughly examined by Fourier transform infrared spectroscopy, powder X-ray diffraction, single-crystal X-ray diffraction, elemental analysis, and nuclear magnetic resonance. A differential scanning calorimetry analysis revealed that both cocrystals have different endothermic peaks and remarkably similar exothermic peaks. Moreover, thermogravimetric analysis demonstrates that the thermal decomposition of DD1 and DD2 seems to be three mass loss stages. Hirshfeld surface analysis suggests that O···H (hydrogen bonding) close contacts contribute the most to the stabilization of DD1 and DD2. Subsequently, the pH values of DD1 and DD2 indicate that cocrystals reduce the acidity of DNP; additionally, the inclusion of hydrogen peroxide can improve the oxygen balance of the cocrystal to a certain degree. The obtained cocrystals have high nitrogen contents and acceptable sensitivities to external stimuli (friction and impact) that prove them as promising candidates for expanding the applications of DNP in the field of energetic materials after overcoming an acidity problem.
研究领域:
化学
·
材料科学
✓ 已验证
DOI
高影响因子
JOURNAL OF MATERIALS SCIENCE
·
2022
·Vol. 57
·期 34
·16541-16553
·
IF 4.682
Zhang Binghong,Ma Aijie,Li Jiaoyang,Xiao Siyu,Li Chunmei,Zhao Weifeng,Zhang Gai,Zhang Hongli
An efficient and economical strategy for rapid microencapsulation of 1-butylimidazole (1-BMI) was developed. The strategy is based on the thiol-yne click reaction of trimethylolpropane tris(3-mercaptopropionate) and 1,7-octadiyne in oil-in-water emulsion. The thiol-yne click reaction is not only green and efficient, but also improves the cross-linking density of shell. Thus, the obtained shell prevents the leakage of curing agent and prolongs the storage period of EP/MCs system. The whole process of preparing 1BMI-MCs only took 40 min. Moreover, the effects of stirring speed and the ratio of 1BMI on the size and core content of microcapsules (MCs) were investigated. Results demonstrated that the optimal particle size was about 10.8 μm, and the maximum content of 1BMI in MCs was 33% corresponding to 60% 1BMI in oil phase. Afterward, the 1BMI MCs were used as latent curing agent (LCA) for epoxy resin (EP). In the curing reaction of the epoxy resin, the 1BMI-MCs exhibited a delayed kinetic behavior compared to pure 1BMI. Furthermore, the E-51/MCs system had a storage term of 16 weeks. The shell material not only had no effect on curing effect of E-51, but also toughen the cured EP systems. This paper provided a promising method for long-term storage of LCA.
研究领域:
材料科学
·
化学工程
✓ 已验证
DOI
高影响因子
TRANSACTIONS OF TIANJIN UNIVERSITY
·
2020
·Vol. 27
·期 6
·460-472
·
IF 0
Wei Hongyuan,Gao Ningcan,Dang Leping
In this work, a new crystallization method was used to prepare two polymorphs of sulfamethazine–saccharin (SMT–SAC) cocrystal in bulk. The purity and crystal form of both polymorphs were confirmed by optical microscopy, scanning electron microscopy, powder X-ray diffraction, differential scanning calorimetry, and thermogravimetric analysis. Moreover, the solubility of the stable form (form II) was determined by gravimetric analysis in nine pure solvents and one binary (acetonitrile + 2-propanol) solvent at temperatures ranging from 278.15 to 348.15 K at atmospheric pressure. Experimental data were correlated using the modified Apelblat model, the λh equation, the nonrandom two-liquid (NRTL) model, the Jouyban–Acree model, and the CNIBS/Redlich–Kister model. Finally, the apparent thermodynamic properties, such as \(\Delta_{\text{dis}} G\) , Δ dis H , and Δ dis S , were calculated on the basis of the activity coefficient obtained by the NRTL model. All the models correlate well, and all the experimental and calculated results indicate that the dissolution behavior of SMT–SAC cocrystal form II is a spontaneous, endothermic, and entropy-driven process.
研究领域:
药学
·
物理化学
✓ 已验证
DOI
Journal of Materials Chemistry A
·
2024
·Vol. 12
·期 19
·11448-11462
·
IF 10.7
Jean Damascene Ndayambaje,Irfan Shabbir,Li Dong,Qian Su,Weiguo Cheng
The conversion of carbon dioxide (CO2) into valuable industrial materials effectively combats rising emissions and facilitates carbon recycling, which requires a top-tier catalyst. In this study, a series of dicationic pyrazolium ionic liquids were grafted onto pre-functionalized MCM-41, and the resulting CnPz–APTES/MCM-41 (n = 3–6), which integrate hydrogen bond donors, Lewis basic tertiary amines (dual N+ sites), nucleophilic ionic sites, high surface areas, and mesoporous structures, were employed as catalysts in the cycloaddition of CO2 and epoxides to yield cyclic carbonates. Among them, C6Pz–APTES/MCM-41 exhibited excellent catalytic performance achieving 98.2% PC yield and 100% selectivity under mild reaction conditions (70 °C and 0.5 MPa CO2 pressure) without a metal, co-catalyst, or solvent. The effect of reaction parameters on the production of cyclic carbonates was thoroughly investigated. Furthermore, C6Pz–APTES/MCM-41 could be efficiently recovered and reused six times without loss of its catalytic activity. It also showed significant adaptability to different epoxides. Structure–activity studies indicated that PO activation was synergistically promoted by the presence of C3/C5 hydrogens from dicationic pyrazolium rings bound by alkyl linkers and dibromide ions in CnPz–APTES/MCM-41. Finally, the reaction mechanism was further investigated using X-ray photoelectron spectroscopy (XPS), proton nuclear magnetic resonance (1H NMR), and density functional theory (DFT) computations.
研究领域:
化学工程
·
材料科学
·
环境科学
✓ 已验证
DOI
高影响因子
危险品化学品经营许可证（带存储）