JOURNAL OF CHEMICAL THERMODYNAMICS
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2021
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IF 3.178
Yuqi Su,Songtao Cao,Taotao Zhan,Maogang He,Ying Zhang
The mutual diffusion coefficients of dimethyl carbonate + n -heptane and dimethyl carbonate + isooctane binary systems were measured at temperatures from 288.15 K to 318.15 K with the mass fraction of dimethyl carbonate from 0.05 to 0.95 under atmospheric pressure. All the mutual diffusion coefficients we reported are Fick diffusion coefficients, which were measured by the digital holographic interferometry. The expanded relative uncertainty for the measured mutual diffusion coefficients is estimated to 2.4% with the level of confidence of 0.95 (coverage factor k = 2). Moreover, a theoretical model (UNIDIF) of mutual diffusion coefficients for dimethyl carbonate + n -heptane and dimethyl carbonate + isooctane binary mixtures was given by fitting the experimental results, and the adjustable parameters and infinite dilution diffusion coefficients of these two solutions were given. The influences of temperature and composition on the mutual diffusion coefficients were discussed.
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高影响因子
Petroleum Science
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2023
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IF 5.6
Yang Liu,Zheng-Nan Sun,Sheng-Zhu Ji,Yi-Hai Yang,Jian-Qi Xu,Guo-Lin Jing
The nanocomposite EVAL-CNT was produced by chemical grafting in the solution system through the esterification of ethylene-vinyl alcohol copolymer (EVAL) and carboxylated multi-walled carbon nanotubes (O-MWCNT), and its structural properties were characterized. The improvement of the rheological properties of the waxy oil system by the novel pour point depressant was investigated using macroscopic rheological measurements and microscopic observations. The results showed that EVAL-CNT nanocomposite pour point depressant (PPD) could significantly reduce the pour point and improve the low temperature fluidity of crude oil and had better performance than EVAL-GO at the same addition level. The best effect was achieved at the dosing concentration of 400 ppm, which reduced the pour point by 13 °C and the low-temperature viscosity by 85.4%. The nanocomposites dispersed in the oil phase influenced the precipitation and crystallization of wax molecules through heterogeneous crystallization templates, which led to the increase of wax crystal size and compact structure and changed the wax crystal morphology, which had a better effect on the rheological properties of waxy oil.
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RSC Advances
·
2023
·Vol. 13
·期 32
·22172-22184
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IF 3.9
Chang Liu,Yue Xu,Haikuan Yuan,Guangxin Tian,Xiaolan Qin,Boxuan Lou,Xijian Liu,Lijuan Zhang,Jie Lu
In this work, the solubility of resmetirom (form A) was initially measured in heptane and seven alcohol solvents by gravimetric methods. Then, the transformation temperature between form A and ethanol solvate was determined at 333.76 K. Subsequently, some commonly used models were applied to fit the solubility data, and it was found that the modified Apelblat equation and the Jouyban–Acree–van't Hoff (J–A–V) model achieved the highest correlation accuracy for those in mono-solvents and heptane + propanol, respectively. And the average relative deviation (ARD) values of models were less than 0.5%, indicating a good agreement with the experimental results. Additionally, through density functional theory calculation and the analysis of solvent parameters, it was observed that hydrogen-bonding played primary roles in the dissolution process of resmetirom. The multiple factors such as the polarity of solvent, active site interaction, the molecular size and free volume all affect the solubility of resmetirom. Furthermore, by comparing the experimental and simulated infrared spectra of form A and two alcohol solvates, five characteristic bands were selected for quantification. Partial least squares regression (PLSR), a multivariate statistical analysis method, was used to extract quantitative information. The quantitative analysis model was established based on specific wavelength intervals, which were associated with inter-molecular interactions. Combined with PLSR, a new high-precision quantitative method was established to study the solid transformation process between form A and solvates. From 303.15 to 323.15 K, the rate of transformation from form A to methanol solvate or ethanol solvate was decreased with increasing temperature, revealing that the transformation process was driven by the solubility difference between form A and solvates under the studied conditions. This research will definitely afford necessary solubility data and solvent selection for the design of the crystallization process of resmetirom (form A) in industry, and provide basic data for the production of resmetirom (form A) in the pharmaceutical industry.
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PubMed
高影响因子
JOURNAL OF MOLECULAR LIQUIDS
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2023
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IF 6
Guanglin Jiang,Yu Liu,Chao Liu
Ethylene glycol (EG) and water mixtures can be used as the antifreeze, refrigerant and coolant due to their good environmental, thermodynamic and transport performance. The mixture’s accurate thermal conductivity is indispensable for the optimal design of the relevant heat exchangers. However, thermal conductivity of EG/water mixtures is lacking and is seen to limit the further industrial application. In this paper, the transient hot wire method (THW) was used to measure the thermal conductivities of five EG/water mixtures (with ethylene glycol mass fraction w EG = 0, 0.25, 0.50, 0.75, 1.00) in the temperature range from 253.15 K to 353.15 K and pressures up to 8.0 MPa. A comparison was made between the present experimental data and literature values, yielding a good agreement. The AADs are within 2.65% for EG/water mixture systems. For convenience of engineering calculations, the present experimental data were correlated as a function of temperature and pressure. The average absolute deviations (AADs) between the experimental thermal conductivities and the calculations are 0.50%, 0.10%, 0.60%, 0.40% and 0.32% for mixture systems with ethylene glycol mass fraction w EG = 0.00, 0.25, 0.50, 0.75, 1.00, respectively. In addition, non-equilibrium molecular dynamics was applied to study the thermal conductivities of ethylene glycol/water binary mixtures based on PCFF (polymer consistent force field) and SPC/E (extended simple point charge) model, showing a good agreement with the experimental data. This study can provide fundamental thermal conductivity data for the heat transfer application of ethylene glycol aqueous solution in the industrial field.
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JOURNAL OF MEMBRANE SCIENCE
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2023
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IF 9.5
Zhuo Li,Shoutian Qiu,Xiang Ying,Fangli Zhang,Xianli Xu,Zhaoliang Cui,Yong Wang
Membrane distillation (MD) is receiving growing interest because of its >99.9% salt rejection even with low-grade waste heat as the energy supply. However, MD membranes are prone to be wetted and usually require complicated modification strategies to gain sufficient hydrophobicity . In this work, we report a new type of MD membranes with hydrophobic films carrying pores in the ultrafiltration range as the separation layers. Such membranes are prepared by coating an A-B-A triblock copolymer polystyrene- block -polydimethylsiloxane- block -polystyrene (PS- b -PDMS- b -PS, further abbreviated as SDS) on the macroporous PVDF substrate, followed by soaking in alkanes to cavitate the SDS coating layers following the mechanism of selective swelling. The PDMS microdomains in the SDS layers are converted to interconnected nanopores , and the PDMS blocks are enriched along the pore walls and membrane surface, endowing the membranes with intrinsic hydrophobicity. Thus-prepared SDS membranes exhibit stable rejection to NaCl (>99.99%) and high permeate flux up to 32.8 kg m −2 h −1 , better than most MD membranes with large pores in the microfiltration range. Moreover, the SDS membranes display excellent wetting resistance, good heat resistance, and long-term stability. This work provides a new strategy to prepare MD membranes enabled by selective swelling of hydrophobic block copolymers, and demonstrates the great potential of hydrophobic ultrafiltration membranes in the long-term use in membrane distillation.
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CELLULOSE
·
2023
·Vol. 30
·期 10
·6655-6666
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IF 5.7
Wang Yilun,Dong Chenshan,Ma Dongdong,Xu Hongman,Zhang Ruquan,Yang Hongjun,Liu Xin,Shang Bin,Huang Jingjing,Gu Shaojin
Fabricating multifunctional superhydrophobic cotton fabric via a simple strategy is highly desirable for various applications but it is rare. Herein, we proposed a one step in-situ redox reaction strategy based on polymethylhydrosiloxane (PMHS) and [Ag(NH 3 ) 2 ] + ions to endow cotton fabrics with both superhydrophobic and antibacterial properties. The obtained cotton fabrics show high repellency against common liquids like green tea, cola, milk, orange juice, coffee, NaCl, HCl, and NaOH solution, and possess significant antibacterial activity against both E. coli and S. aureus due to generated Ag nanoparticles. Even subjected to laundering, rubbing, acidic (pH 1)/alkaline (pH 13) solution attack, freezing at liquid nitrogen, or heating treatment (120 °C), the superhydrophobic and antibacterial properties of modified cotton fabrics can remain stable without being damaged, which is highly desirable for long-lasting anti-fouling, oil/water separation, and antibacterial applications. Considering the universality, simplicity, and scalability of the surface functionalization method, this proposal to develop novel multifunctional cotton fabrics with robust water repellent and antibacterial properties has promising and versatile applications in wide areas. Graphical abstract
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高影响因子
Materials Today Communications
·
2023
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IF 3.8
Jialin Li,Shanshan Zhou,Hao Pang,Yuewen Huang,Bin Wang
Star-shaped superplasticizers exhibited excellent dispersion performance on cement paste , but the molecular structure remained poorly controlled. This study develops three star-shaped block superplasticizers via atom transfer radical polymerization to investigate their effects on fluidity and early hydration in the Portland cement system. The three star-shaped block superplasticizers with acid to ether monomer ratio of 28, 36 and 100, are marked as SPCE-1, SPCE-2 and SPCE-3 respectively. Fluidity test shows that SPCE-1 and SPCE-3 with higher hydrodynamic radius exhibit better initial fluidizing effect than SPCE-2. Besides, there is competitive adsorption of SPCEs between the clinker phase and nano-ettringite in pore solution. SPCE-1 behaves best in fluidity retention due to the increase of adsorption amount over hydration time. A dispersion mechanism based on the extended-DLVO theory was proposed that SPCEs reduce hydrophobic interaction between cement grains and prevent agglomeration between cement grains and air bubbles.
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JOURNAL OF MEMBRANE SCIENCE
·
2021
·
IF 8.742
Junhui Zhao,Xinda You,Guangzhe Wang,Jinqiu Yuan,Yafei Li,Chao Yang,Shiyu Zhang,Xiaoyao Wang,Runnan Zhang,Hong Wu,Zhongyi Jiang
Nanofiltration membranes that can selectively remove multivalent ions from salty water hold great promise in water treatment and salt utilization. However, developing nanofiltration membranes with high rejection to both divalent anions and cations remains a grand challenge. Herein, we design a kind of mix-charged polyamide membranes (MCPMs) via molecular hybridization to achieve the removal of versatile divalent ions. Amino-functionalized polyhedral oligomeric silsesquioxane (NH 2 -POSS) was employed as molecular filler added into piperazine and reacted with trimesoyl chloride at the aqueous-organic interface to generate cross-linked polyamide-NH 2 -POSS mixed network. The protonated amino groups from NH 2 -POSS offered positively charged sites for enhanced divalent cation repulsion while the deprotonated carboxyl groups from polyamide network can afford negatively charged sites for divalent anion repulsion. The optimized membrane displayed high rejections to both divalent anionic and cationic ions (Na 2 SO 4 rejection of 98.2%, MgCl 2 rejection of 98.0%), together with high mono-/divalent salt selectivity (NaCl/Na 2 SO 4 of 48.2, LiCl/MgCl 2 of 43.9) that outperformed the benchmark nanofiltration membranes. This molecularly-hybridized charge modulation method may enlighten the structural design of membranes for efficient ionic separations.
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CHEMICAL ENGINEERING SCIENCE
·
2021
·
IF 4.311
Zhirong Yang,Yao Shi,Yan Lin,Li Luo,Nan Song,Jianyang Lin,Chong Peng,Baokuan Sui,Jing Zhang,Gang Qian,Xinggui Zhou,Xuezhi Duan
Regulation of pore hierarchy has been an important subject in the design of industrial catalysts. Synthesis of alumina without template/additive often results in poor control of morphologies, porosities, and metal dispersion thereafter. Herein, alumina microrods with a tailored pore hierarchy (Rod2) were fabricated without template/additive by tuning the pore structure of the synthetic precursors, which were used as supports of Pt for n -heptane reforming. Improved toluene selectivity was observed at low space velocities as a result of promoted dehydroisomerization of pentacyclic hydrocarbons, presumably due to a combined effect of the desired pore hierarchy and rod morphology. The Pt/Rod2 also showed better resistance to carbon deposition while maintaining good metal dispersion, as compared to alumina supports with spherical morphology or uncontrolled pore hierarchy. The simulation results revealed that the improved toluene selectivity of Pt/Rod2 is attributed to the proper pore combination of meso -pore1 (6–40 nm) and meso -pore 2 (40–300 nm).
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Journal of Environmental Chemical Engineering
·
2021
·
IF 5.909
Mengyue Zhou,Dong Guo,Zhigang Tang,Ullah Shafqat
Nowadays, Carbon capture and storage (CCS) are widely studied as a way of reducing greenhouse emissions and slowing down global warming . Integrated solvent absorption-membrane desorption is a novel CO 2 pre-combustion capture technology with the advantage of relatively low energy cost. Herein, the mixed matrix membranes (MMMs) were synthesized through a facile in-situ method for enhanced desorption of CO 2 from dimethyl carbonate (DMC). ZIF-8 nanoparticles were synthesized in situ on polydimethylsiloxane (PDMS). The morphology, microstructure and thermal stabilities were studied by scanning electron microscopy (SEM), X-ray diffraction (XRD), Fourier transform infrared (FTIR) and thermal gravimetric analyzer (TGA). Results revealed that fabrication of ZIF-8 nanoparticles on PDMS matrix greatly increased CO 2 flux of the membrane without any leakage of DMC. The membrane showed superior performance with increase of temperature and feed pressure. In particular, PPM-4 exhibited the highest CO 2 flux of 2670 g/ m 2 ·h at 0.4 MPa (20 °C) with the feed flow rate of 0.8 L/min. It was found that the use of DMC absorption-PDMS membrane desorption technology significantly reduces the cost of CO 2 capture. The enhanced performance of this combination of a new absorbent and mixed matrix membranes will open new routes for future CO 2 capture systems.
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Journal of Cleaner Production
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2021
·
IF 9.297
Antony Rajendran,Hong-Xia Fan,Tian-You Cui,Jie Feng,Wen-Ying Li
SO x emission, one of the significant contributors to air pollution, is primarily caused by the combustion of sulfur-containing liquid fuels . Thus, ultra-low sulfur or sulfur-free fuels production gains more attention to construct the SO x -free environment. Despite the oxidative desulfurization using polyoxometalates and hydrogen peroxide showing promising results, the requirement of hydrogen peroxide in excess and the complicated synthesis of heterogeneous polyoxometalates are the key drawbacks. So, in this paper, facile hydrothermal synthesis of mesoporous tin oxide-supported octamolybdates containing Mo V and Mo VI sites is reported for oxidative desulfurization with near stoichiometric hydrogen peroxide. The current catalytic system seems competitive among molybdenum-based oxidative desulfurization catalysts due to its higher turnover frequencies of 28.1 h −1 . The straightforward synthesis of catalysts and their excellent oxidative desulfurization activity would be attractive in building the SO x -free environment via clean transport energy.
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高影响因子
CHINESE JOURNAL OF CHEMICAL ENGINEERING
·
2021
·
IF 3.171
Liuting Zhang,Haijie Yu,Zhiyu Lu,Changhao Zhao,Jiaguang Zheng,Tao Wei,Fuying Wu,Beibei Xiao
High hydrogen desorption temperature and sluggish reaction kinetics are the major limitations for the practical application of MgH 2 . In this study, Co particles with a face centered cubic (FCC) structure and a hexagonal close packed (HCP) structure were prepared facilely and proved to be good catalysts for magnesium hydride. Co particles with FCC structure presented better catalytic effect on MgH 2 than that with HCP structure. Both 7% (mass) Co FCC and HCP particle modified MgH 2 decreased the initial dehydrogenation temperature from 301.3 °C to approximately 195.0 °C, but 7% (mass) Co with FCC structure modified MgH 2 has a faster desorption rate, and around 6.5% (mass) H 2 was desorbed in 10 min at 325 °C. Hydrogen uptake was detected at 70 °C under 3.25 MPa hydrogen pressure and 6.0% (mass) H 2 was recharged in 40 min at 150 °C. The hydrogen desorption and absorption activation energy for 7% (mass) FCC Co modified MgH 2 was significantly decreased to (76.6±8.3) kJ·mol −1 and (68.3±6.0) kJ·mol −1 , respectively. Thermodynamic property was also studied, the plateau pressures of MgH 2 + 7% (mass) FCC Co were determined to be 0.14, 0.28, 0.53 and 0.98 MPa for 300 °C, 325 °C, 350 °C and 375°C. The decomposition enthalpy of hydrogen (Δ H ) for MgH 2 + 7% (mass) FCC Co was (80.6±0.1) kJ·mol −1 , 5.8 kJ·mol −1 lower than that of as-prepared MgH 2 . Moreover, cycling performance for the first 20 cycles revealed that the reaction kinetics and capacity of MgH 2 -FCC Co composite remained almost unchanged. The result of density functional theory calculation demonstrated that cobalt could extract the Mg H bond and reduced the decompose energy of magnesium hydride. Our paper can be presented as a reference for searching highly effective catalysts for hydrogen storage and other energy-related research fields.
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