CRYSTENGCOMM
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2022
·Vol. 24
·期 30
·5497-5506
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IF 3.756
Liang Li,Xiongtao Ji,Xiaowei Cheng,Danning Li,Ting Wang,Xin Huang,Na Wang,Qiuxiang Yin,Hongxun Hao
To have a better understanding on the molecular mechanism of the crystal morphology manipulation, the effect of the solvent on the morphology of crystals was investigated using sulfamerazine (SMR) as a model compound and through a combination of experimental investigations and molecular simulations. The modified attachment energy model was employed to build the crystal morphology model in different solvents. Hirshfeld surfaces and 2D fingerprint plots were used to investigate the solute–solute interactions, and molecular dynamics simulation was employed to investigate the interactions between solvent molecules and different crystal faces. The functions of factors such as the surface structure, roughness, and the radial distribution were also considered and discussed. The results suggested that these factors are important to the crystal habits, since they could affect the adsorption competition between the solute and solvent molecules. It was found that the method developed in this work could be used to predict the morphology of SMR and could guide the selection of crystallization solvents for obtaining target morphology.
研究领域:
化学
·
材料科学
·
药学
✓ 已验证
产品关联
DOI
高影响因子
RSC Advances
·
2017
·Vol. 7
·期 17
·10494-10502
·
IF 3.108
Yanming Zhao,Futai Lu,Jie Zhang,Yuze Dong,Bao Zhang,Yaqing Feng
How to graft co-sensitizers with different binding strengths onto TiO2 surfaces for enhancing the performance of dye-sensitized solar cells (DSSCs) has not been discussed very much. Herein a ruthenium-based sensitizer (N719) and a porphyrin molecule (LP-2) with complementary absorption spectra (300–750 nm) have been chosen to investigate how the dye loading procedure would influence the photovoltaic performance of co-sensitized solar cells. Interestingly, it is found that 54.7% of the loading amounts of pre-adsorbed LP-2 are replaced by the post-adsorption of N719. The replacement adsorption is not observed when the two molecules are loaded in reverse order, which is attributed to their different adsorption configurations and binding energies. The competitive adsorption between co-sensitizers is thus systematically investigated by UV-visible absorption spectroscopy, energy dispersive spectrometry (EDS) and electron probe microanalysis (EPMA). Upon optimization, the device sequentially sensitized with LP-2 and N719 exhibits efficiency (7.72%) enhancement of 38.6% and 18.0% compared with those fabricated with single LP-2 and N719, respectively. The results provide a new vision on the stepwise sensitization of TiO2 films using co-sensitizers with a difference in adsorption properties, suggesting that complementary spectral absorption of co-sensitizers can lead to excellent cell performance by choosing an appropriate dye loading procedure.
研究领域:
材料科学
·
化学
✓ 已验证
产品关联
DOI
高影响因子
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
·
2023
·
IF 5.2
Ming Lei,Hua Huang,Junliang Liu,Feng Peng
In the demulsification process of crude oil emulsions, the temperatures of above 60 °C are most commonly required. In this work, a gemini ionic liquid (PGE-TFA) with amphipathy and interfacial activity was prepared by a simple and safe method, which could be used at the temperature of 40 °C for the effective demulsification of crude oil emulsions. The chemical structure and thermostability was investigated by FTIR, 1 HNMR and TGA . The demulsification tests of PGE-TFA showed that it had higher demulsification efficiency (DE) and faster demulsification rate than common commercial demulsifiers. PGE-TFA could be used at a low temperature of 40 °C, a wide pH range and high salinity. The DE reached as high as 95.53 % in water-in-oil emulsions with the concentration of 500 mg/L at 40 °C for 90 min. The temperature of 70 °C could slightly increase the DE and significantly improve the demulsification rate, and the DE of 97.72 % was obtained with the same concentration for 30 min. In addition, the demulsification mechanism was investigated by dynamic interfacial tension, competitive adsorption and zeta potential . The results displayed that PGE-TFA had amphipathy and interfacial activity, which promoted it quickly diffuse to the oil-water interface and displace asphaltenes at the interface. Therefore, an unstable composite film could be formed at the interface and the interfacial tension was lowered, which induced the demulsification of the emulsions.
研究领域:
化学工程
·
石油工程
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产品关联
DOI
高影响因子
ACS ES&T Water
·
2025
·
IF 4.3
Jing Xu,Lifang Lin,Qianxi Hu,Zufan Liu,Zuyou Sun,Wei Cheng,Shiyong Tao
The heterogeneous photo-Fenton-like process, mediated by iron oxides and carboxylates, is recognized for its effectiveness in degrading organic pollutants. Despite its potential, the adverse effects of carboxylates on removing strongly adsorptive pollutants have not been thoroughly explored. Herein, based on a precomparison of three different micropollutants, p-arsanilic acid (ASA), a strong adsorbate, was used as a model pollutant to investigate its removal in goethite–carboxylate systems under UVA irradiation. The effects of oxalate, citrate, malate, and salicylate were assessed across varying carboxylate concentrations (0–2 mM) and goethite dosages (0.1–0.5 g·L–1). Key findings indicate that remarkable •OH contribution was only observed in oxalate and citrate systems following the generation of H2O2. Oxalate and citrate enhanced photodegradation but inhibited adsorption, with oxalate exhibiting a stronger promotional effect. In contrast, malate and salicylate suppressed adsorption without contributing to photodegradation. Without taking into account the suppression caused by competitive adsorption, one may overestimate the degradation of strongly adsorptive pollutants through a heterogeneous photo-Fenton-like process. These results contribute to a deeper understanding of the comprehensive effects of carboxylates in heterogeneous photo-Fenton-like systems, providing insights into the optimization of environmental remediation strategies.
研究领域:
环境科学
·
化学工程
✓ 已验证
产品关联
DOI
高影响因子
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