JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2017
·
IF 2.323
Huanxin Li,Junwei Zhang,Yonghui Dou,Li Xu,Guoji Liu
Data of liquid–liquid equilibria (LLE) for water + 1,6-hexanediamine + 1-butanol and water + 1,6-hexanediamine + 1-pentanol ternary systems were determined at T = 298.2, 308.2, and 318.2 K under atmospheric pressure. The distribution coefficients and selectivity factors calculated from LLE data were applied to evaluate the feasibility and effectiveness of extracting 1,6-hexanediamine from the aqueous solution. The results showed that the selectivity factors decrease with the amount of 1,6-hexanediamine increasing in the aqueous phase, and the effect of temperature is insignificant in this study. The nonrandom two-liquid and universal quasichemical activity coefficient models were also applied to regress the experimental equilibrium data of the two ternary systems and the root mean square deviation values between the correlated and experimental results were lower than 0.7%. It turned out that these phase equilibrium behaviors can be described by the two models. Meanwhile, the binary model parameters were acquired from the relevant process simulations.
研究领域:
化学工程
·
物理化学
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DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2022
·
IF 3.119
Hao Li,Fengyi Zhang,Qianlong Zhang,Hongjuan Li,Zhiying Wang,Chunli Li,Jing Fang
For some strongly non-ideal solution systems, there are often errors in predicting the phase equilibrium relationship of a multi-component system using the interaction parameters obtained by the regression of the phase equilibrium data of the binary system. The interaction parameters between the components obtained by directly determining the phase equilibrium of the multivariate system will bring the calculated values closer to the experimental values. Liquid–liquid equilibrium (LLE) data were determined for the system of n-butanol + n-pentanol + n-hexanol + water at 313.15, 323.15, and 333.15K under atmospheric pressure. LLE compositions were determined by gas chromatography. LLE data were correlated by the UNIQUAC model and the non-random two-liquid (NRTL) model. Both models were appropriate for describing the LLE of this quaternary equilibrium system. They provided accurate thermodynamic parameters for the phase equilibrium of C4–6 mixed alcohols in Fischer–Tropsch synthesis water.
研究领域:
化学工程
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热力学
·
相平衡建模
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DOI
高影响因子
JOURNAL OF CHEMICAL THERMODYNAMICS
·
2017
·
IF 2.726
Ying Zhang,Xinxin He,Yutian Chen,Maogang He
The mutual diffusion coefficients of n -butanol + n -heptane and n -pentanol + n -heptane were measured over the mass fraction of n -butanol or n -pentanol from 0.05 to 0.95 at intervals of 0.10 and the temperatures 288.15 K, 298.15 K, 308.15 K and 318.15 K at 0.101 MPa. The measurements were carried out using a digital holographic interferometry system. The expanded relative uncertainty of the mutual diffusion coefficients was estimated to be less than 2.4%. The influences of temperature and composition on the mutual diffusion coefficients were investigated. Moreover, equations for the mutual diffusion coefficients of the two binary mixtures were fitted to the data as functions of mass fraction and temperature. The correlations represent the data with the absolute average of relative deviations (AARDs) of 1.1% for n -butanol + n -heptane and 0.77% for n -pentanol + n -heptane, respectively.
研究领域:
物理化学
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热力学
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传递现象
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溶液化学
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流体混合物
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DOI
高影响因子
JOURNAL OF MOLECULAR LIQUIDS
·
2022
·
IF 6.633
Dan Du,Zhirong Qu,Weiwei Zhang,Hong Dong,Chuan Wu
The density, viscosity and speed of sound of trimethoxylsilane derivatives with ethanol, 1-butanol, 1-pentanol and 1-octanol have been measured at 298.15, 303.15, 308.15, 313.15 K, 318.15 and 323.15 K, respectively. The excess molar volume, viscosity deviation, excess Gibbs energy of activation of viscous flow, isobaric thermal expansivity and isentropic compressibility deviation were calculated from these results. The Redlich–Kister equation was used for the correlation. The calculated excess properties have been discussed according to the possible interactions formed between the molecules in the mixture using equimolar attenuated total reflection Fourier transform infrared (ATR-FTIR) spectroscopy. In all of the compositions and experimental temperature ranges studied, the excess molar volumes were found to be negative for vinyl trimethoxy silane and phenyl trimethoxy silane with ethanol. This may be attributed to the close accumulation of molecules and easier formation of cross-association structures between the alkoxysilane molecules. However, the excess molar volume of the binary mixture of vinyl trimethoxy silane and phenyl trimethoxy silane with n -butanol, n -pentanol, and n -octanol was positive. Hydrogen bond fracture may play a leading role in this process. The excess molar volumes of the binary system comprised of trifluoropropyl trimethoxy silane with ethanol and 1-octanol were all positive. This may be attributed to the influence of steric hindrance, which makes it difficult for trifluoropropyl trimethoxy silane to form a cross-association structure with alcohol molecules.
研究领域:
物理化学
·
材料科学
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DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2020
·
IF 2.369
Miyangzi Suo,Bokun Chen,Yu Qian,Siyu Yang
The synergistic effect for a solvent mixture of diisopropyl ether and n-Pentanol to extract hydroquinone from aqueous solution was investigated. Liquid–liquid equilibrium data of the quaternary (n-Pentanol + diisopropyl ether + water + hydroquinone) system were measured at T = 298.15 K and P = 101.3 kPa, using various compositions of solvent mixture. It can be seen from the slope of the tie lines that with the increase of distribution coefficients of hydroquinone, the size of the immiscible solution region decreased slightly. The extraction efficiency was evaluated by calculating the separation factor and distribution coefficient. Using the universal quasichemical (UNIQUAC) and nonrandom two-liquid (NRTL) models to correlate with experimental data, the corresponding binary interaction parameters were obtained. The RMSD values of UNIQUAC and NRTL models showed that the calculated results were in good agreement with the liquid–liquid equilibrium data.
研究领域:
化学工程
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物理化学
·
环境科学
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产品关联
DOI
高影响因子
Thermal Science and Engineering Progress
·
2024
·
IF 5.1
Feibin Yan,Wenjun Zhong,Tamilselvan Pachiannan,Sicheng Lai,Zhixia He,Qian Wang
N -pentanol exhibits promising potential as a sustainable and eco-friendly biomass energy source. However, certain challenges such as ignition difficulty and unstable combustion exist. This study investigates the influence of low-temperature auto-ignition of n -pentanol/HCB (Hydrogenated Catalytic Biodiesel) blends on ignition and combustion characteristics and evaluates the correlation between low-temperature oxidation and second-stage ignition delay. Results show a linear positive correlation between the HCB content in n -pentanol and its low-temperature oxidation reactivity. The stronger the low-temperature oxidation activity of the blends, the shorter the second-stage ignition delay of blends. When the HCB content in blends is below 40 %, the low-temperature oxidation rate initially increases and then decreases. However, the low-temperature oxidation rate increases again when the HCB content exceeds 40 %. Moreover, the relationship between the initial CO 2 generation rate and the HCB blending ratio follows an Exp exponential function under different critical compression ratios. Beyond 43.7 % HCB, an acceleration in the high-temperature combustion rate owing to an increase in the low-temperature oxidation rate again. In addition, the minimum ignition limit of n -pentanol/HCB blends was identified with 40 % HCB blends closely resembling diesel conditions and 50 % HCB blends showing a lower ignition limit, characterized by a critical temperature and pressure of 517.3 K and 8.66 bar, respectively. Furthermore, two distinct conditions for the minimum ignition boundary region of n -pentanol/HCB blends were defined, offering practical insights. In summary, a blend with a 50 % HCB ratio provides a promising solution for the low-temperature ignition and stable combustion of n -pentanol, addressing the challenges of simultaneous use in internal combustion engines.
研究领域:
能源化学
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燃烧科学
·
可再生能源
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产品关联
DOI
高影响因子
ENERGY & FUELS
·
2025
·
IF 5.3
Di Li,Yanling Wang,Baojun Bai,Ning Xu,Wenjing Shi,Yu Zhang,Wenhui Ding,Peixu Ma,Zan Gao
Dendritic mesoporous silica nanoparticles (DMSNs), characterized by a high specific surface area and abundant hydroxyl groups, offer a promising approach to enhancing the performance of amphiphilic polymers in challenging enhanced oil recovery (EOR) conditions. In this study, DMSNs were successfully synthesized, and systematically evaluated for their impact on the solution properties of a betaine amphiphilic polymer (PADC). The unique “flower-like” mesoporous structure of DMSNs provided approximately 7-fold higher surface area than conventional SiO2, facilitating enhanced polymer–nanoparticle interactions. The DMSN/PADC composite system exhibited significantly improved viscosity, salt resistance, thermal tolerance, and shear resistance compared to PADC and SiO2/PADC systems. Quantum chemical calculations elucidated the interaction mechanisms, highlighting the role of silanol groups in forming electrostatic interactions and hydrogen bonds with PADC, thereby reinforcing the three-dimensional network structure. Enhanced oil recovery (EOR) tests demonstrated a 17.91% tertiary oil recovery using the DMSN/PADC composite system, nearly double that of the SiO2/PADC system (9.48%). This study underscores the potential of DMSNs as a novel additive for optimizing polymer flooding formulations, enabling superior EOR performance in high-temperature, high-salinity reservoirs.
研究领域:
石油工程
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材料科学
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化学工程
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产品关联
DOI
高影响因子
FUEL
·
2024
·
IF 6.7
Jie Fang,Jiawei Cheng,Chaoran Song,Lemeng Wang,Rujie Wang,Shihan Zhang,Lidong Wang
The solid–liquid biphasic solvent has great energy-saving potential, but its absorption rate and solid regeneration performance need to be improved. In this study, a new solid–liquid biphasic solvent was proposed using 1,3-diaminopropane (DAP) as the main absorbent, 2-amino-2-methyl-1-propanol (AMP) and piperazine (PZ) as the absorption enhancer, and n-propanol (NPA) as the organic diluent and regeneration promoter. AMP and PZ could boost the CO 2 absorption and thus shorten the absorption saturation time from 120 min to 80 and 60 min, and further reduce the regeneration energy to 1.30 and 1.35 GJ·t −1 CO 2 as well. They were much lower than the reported biphasic absorbents and only 34.2 % and 35.6 % of the 3.80 GJ·t −1 CO 2 produced by 5 M MEA. Moreover, adding a small amount of NPA to the lower phase could significantly increase the desorption efficiency to 84.5 %, whereas no CO 2 was desorbed without the help of NPA. Experimental and theoretical analysis indicated that during CO 2 absorption, the DAP-NPA system absorbed CO 2 to produce DAPCOO - and protonated DAP. Adding AMP or PZ to the system enhanced product coupling by replacing DAPCOO - with a small amount of AMPCOO - or PZCOO - , thereby accelerating the reaction. Furthermore, during regeneration, NPA would weaken the hydrogen bonding between the products and promote the CO 2 desorption and the regeneration of solid products. This work developed a promising solid–liquid biphasic solvent with good comprehensive performance.
研究领域:
化学工程
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环境科学
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产品关联
DOI
高影响因子
JOURNAL OF FOOD SCIENCE
·
2025
·Vol. 90
·期 7
·e70380
·
IF 3.4
Xiayu Zhong,Shihong Cai,Limei Yu,Hao Dong,Qiaoyu Liu,Yuanhong Zhang,Xiaofang Zeng
Sugar plays a crucial role in the processing of Cantonese sausages, endowed it unique flavor perceptions. The aim of this study was to investigate the effect of sugar levels on the structure and flavor binding capacity of pork myofibrillar proteins (MPs) during the processing of Cantonese sausages. Results showed that sugar addition could significantly enhance the concentration of flavor compounds in Cantonese sausages, with ester emerging as the key aroma compounds. Moreover, 6% sugar addition generally showed the highest flavor concentration, which could be associated with the structural changes mediated by different sugar levels. Sugar addition could cause structural unfolding and reassembly to MPs, forming more loose structures with significant decrease in α-helix and increase in β-sheets. And the surface hydrophobicity first decreased and then increased with increasing in sugar content, peaking at 6% and 9% sugar addition. All these could affect the flavor adsorption capacity of MPs, showing improved adsorption capacity to alcohol and ketone compounds and releasing effect to ester and aldehyde compounds upon sugar addition. The driving force for the adsorption could be attributed to the exposure of the hydrophobic sites in MPs, which could reduce the surface tension and thus promote the adsorption of flavor compounds. The results obtained in this study provided theoretical basis and data support for the processing of low-sugar Cantonese sausage with good flavor perception.
研究领域:
食品科学
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蛋白质结构
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风味化学
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食品加工技术
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产品关联
DOI
PubMed
高影响因子
Journal of Water Process Engineering
·
2024
·
IF 6.3
Yangyang Xie,Yingying Zhang,Honglei Fan,Jiahao Zhang,Qinglan Hao,Baojuan Dou,Xin Hu,Botao Teng
Adsorption is a promising strategy to remove harmful substances from Fischer-Tropsch synthesis (FTS) wastewater, and clarifying the adsorption mechanism is an important issue. In this paper, carbon nanotubes (CNTs) with different pore size were used for the adsorption of low-carbon alcohols (methanol, ethanol, propanol , butanol , pentanol) and acids (acetic acid, propanoic acid , butyric acid). After the micropores being occupied by chloroform , the percentage of micropores decrease is found to exhibit a positive correlation with adsorption capacity, indicating that the micropores dominanate the adsorption properties of alcohols and acids. Based on density functional theory (DFT) calculation results, the adsorption energy of pentanol is the largest and that of methanol is the smallest, in consistent with the experimental results. The similar polarity of pentanol with CNTs improves the adsorption property. Furthermore, with similar polarity, the kinetic diameter of adsorbate being close to the pore size is beneficial for improving adsorption behavior of CNTs.
研究领域:
环境科学
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材料科学
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产品关联
DOI
高影响因子
JOURNAL OF CHROMATOGRAPHY A
·
2024
·
IF 3.8
Rui Shi,Yipeng Huang,Guihua Ruan,Zhengyi Chen,Yanqun Yang,Zhuqiang Wu
The distinctive morphology of dendritic mesoporous silica nanoparticles (DMSN) has recently attracted considerable attention in scientific community. However, synthesis of DMSN with well-defined structure and uniform size for ultrafast extraction of trace herbicide residues from environmental and food samples remains to be a compelling challenge. In this study, sulfhydryl functionalized dendritic mesoporous silica (SH-DMSN) was synthesized and the SH-DMSN showcases monodisperse microspheres with flower shape and precisely tailored and controllable pore sizes. This distinctive structural configuration accelerates mass transfer within the silica layer, resulting in heightened adsorption efficiencies. Furthermore, the particle sizes (455, 765, and 808) of the adsorbent can be meticulously fine-tuned by introducing distinct templates. Specifically, when the particle size is 765 nm, the optimized SH-DMSN exhibits a substantial specific surface area (691.32 m²/g), outstanding adsorption efficiencies (>90 %), remarkably swift adsorption and desorption kinetics (2 min and 3 min, respectively), and exceptional stability. The superior adsorption capabilities of this novel adsorbent, ranging from 481.65 to 1021.7 µg/g for organochlorine herbicides containing amide groups, can be attributed to the interplay of S-π interactions, halogen bonding, and electrostatic attraction interaction. These interactions involve the lone pair electrons of sulfhydryl and silanol groups with the π-electrons, halogen atoms and amide groups in herbicide molecules. This study not only offers a new perspective on advancing the practical utilization of dendritic mesoporous silica but also provides a pragmatic strategy for the separation and analysis of herbicides in diverse sample matrices.
研究领域:
材料科学
·
环境科学
·
分析化学
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产品关联
DOI
PubMed
高影响因子
COMPOSITE STRUCTURES
·
2024
·
IF 6.3
Yuchen Guo,Pengwan Chen,Rui Liu,ZhijianYang,Feng Zhang,Liyang Feng,Kezhen Lv,Bo Zhou,Gaoyang Hu
As the predominant component in polymer bonded explosives (PBX), explosive crystals is an important factor affecting the compressibility of PBX powder. To obtain the effects of crystal quality on the mechanical properties and meso -mechanical behavior of PBX powder during die pressing, the compaction density, Brazilian strength, as well as crack propagation and energy dissipation mechanisms were systematically studied based on experiments and Discrete Element Method (DEM) simulations. The experimental results revealed that, under identical pressure, PBX parts composed of 1,3,5,7-tetranitro-1,3,5,7-tetraazecycloctane (HMX) crystals with more internal defects and lower strength will exhibit higher density and Brazilian strength. The simulation results demonstrated that crystal fragmentation occurs throughout the pressing process. The increased Brazilian strength of PBX containing low quality crystals may be attributed to more defects and larger specific surface area of the crystals. Crystal fragmentation can effectively promote particle rearrangement, resulting in higher strain of the PBX powder. During the compression process, the lower the crystal quality, the greater their susceptibility to fracture and the reduced conversion of external work into elastic potential energy. Consequently, the increase in PBX size caused by the release of elastic potential energy after unloading is therefore minimized, resulting in improved compressibility of the PBX.
研究领域:
材料科学
·
爆炸力学
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产品关联
DOI
高影响因子
危险品化学品经营许可证（带存储）