JOURNAL OF CHEMICAL THERMODYNAMICS
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2015
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IF 2.679
Hengde Li,Yongtao Han,Cheng Huang,Chufen Yang
On this paper, experimental (liquid + liquid) equilibrium (LLE) results are presented for systems composed of β-citronellol and aqueous 1-propanol or acetone. To evaluate the phase separation properties of β-citronellol in aqueous mixtures, LLE values for the ternary systems (water + 1-propanol + β-citronellol) and (water + acetone + β-citronellol) were determined with a tie-line method at T = (283.15, 298.15, and 313.15 ± 0.02) K and atmospheric pressure. The reliability of the experimental tie-lines was verified by the Hand and Bachman equations. Ternary phase diagrams, distribution ratios of 1-propanol and acetone in the mixtures are shown. The effect of the temperature on the ternary (liquid + liquid) equilibria was examined and discussed. The experimental LLE values were satisfactorily correlated by extended UNIQUAC and modified UNIQUAC models.
研究领域:
化学工程
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热力学
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DOI
高影响因子
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
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2016
·Vol. 18
·期 19
·13554-13563
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IF 4.449
Yanmin Tao,Yongjun Hu,Weizhan Xiao,Jiwen Guan,Fuyi Liu,Xiaobin Shan,Liusi Sheng
Photoionization and dissociation of the 1-propanol dimer and subsequent fragmentations have been investigated by synchrotron vacuum ultraviolet (VUV) photoionization mass spectrometry and theoretical calculations. Besides the protonated monomer cation (C3H7OH)·H+ (m/z = 61) and Cα–Cβ bond cleavage fragment CH2O·(C3H7OH)H+ (m/z = 91), the measured mass spectrum at an incident photon energy of 13 eV suggests a new dissociation channel resulting in the formation of the (C3H7OH)·H+·(C2H5OH) (m/z = 107) fragment. The appearance energies of the fragments (C3H7OH)·H+, CH2O·(C3H7OH)H+ and (C3H7OH)·H+·(C2H5OH) are measured at 10.05 ± 0.05 eV, 9.48 ± 0.05 eV, and 12.8 ± 0.1 eV, respectively, by scanning photoionization efficiency (PIE) spectra. The 1-propanol ion fragments as a function of VUV photon energy were interpreted with the aid of theoretical calculations. In addition to O–H and Cα–Cβ bond cleavage, a new dissociation channel related to Cβ–Cγ bond cleavage opens. In this channel, molecular rearrangement (proton transfer and hydrogen transfer after surmounting an energy barrier) gives rise to the generated complex, which then dissociates to produce the mixed propanol/ethanol proton bound cation (C3H7OH)·H+·(C2H5OH). This new dissociation channel has not been reported in previous studies of ethanol and acetic acid dimers. The photoionization and dissociation processes of the 1-propanol dimer are described in the photon energy range of 9–15 eV.
研究领域:
化学物理学
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分子光谱学
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DOI
PubMed
高影响因子
Catalysts
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2020
·Vol. 10
·期 3
·312
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IF 3.52
Zhiwen Xi,Zhe Hong,Fangtao Huang,Zhirong Zhu,Wenzhi Jia,Junhui Li
A series of Pt/WOx-ZrO2-TiO2catalysts with different Ti/Zr molar ratios was prepared by an evaporation induced self-assembly method, and used to efficient hydrogenolysis of glycerol to 1-PO and 1,3-PDO. BET, XRD, Raman, TEM, XPS and Py-IR were employed to characterize the physicochemical properties of the catalysts. The structural and acidic properties of the catalysts were affected by the Ti/Zr ratio of the support ZrO2-TiO2. Two new crystalline phases of ZrTiO4and Ti2ZrO6and the amount of acid sites were detected in the Pt/WOx-ZrO2-TiO2catalysts. 1-PO is dominant in all products of glycerol hydrogenolysis over the supported Pt-WOx catalysts, which is attributed to more Lewis acid sites on the catalyst surface. The Pt/WOx-ZrO2-TiO2catalyst with a Ti/Zr ratio of 7/3 showed the highest 1,3-PDO yield (25.3%) and 1-PO yield (42.3%), due to its more acid sites including Brønsted and Lewis, and higher concentration of surface Pt0.Keywords:hydrogenolysis of glycerol;1,3-propanediol;1-propanediol;Pt-WOx;ZrO2-TiO2
研究领域:
催化化学
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材料科学
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能源化学
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DOI
高影响因子
JOURNAL OF CHEMICAL THERMODYNAMICS
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2016
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IF 2.196
Li Wan,Hengde Li,Cheng Huang,Yuqing Feng,Guoqiang Chu,Yuying Zheng,Wei Tan,Yanlin Qin,Dalei Sun,Yanxiong Fang
Linalool and geraniol are the primary components of rose oil, palmarosa oil, and citronella oil and many other essential oils, and two important compounds used in the flavour and fragrance, cosmetic or pharmaceutical industries. Phase equilibria (LLE, VLE, solubility, etc. ) and related thermodynamic properties of a mixture are essential in the processes design and control of mass transfer process. In this work, experimental (liquid + liquid) equilibria data of the systems (water + 1-propanl + linalool) and (water + 1-propanl + geraniol) are presented. The (liquid + liquid) equilibria of both systems were determined with a tie-line method at T = (283.15, 298.15 and 313.15) K under atmospheric pressure. The well-known Hand, Bachman and Othmer–Tobias equations were used to test the reliability of the experimental values. The influence of the temperature on the (liquid + liquid) phase equilibria of the mixtures, the binodal curves and distribution ratios of 1-propanl are shown and discussed. Moreover, the NRTL and UNIQUAC models were applied to fit the data for both ternary systems. The interaction parameters obtained from both models successfully correlated the equilibrium compositions. Furthermore, the ternary systems could be represented using the binary parameters of the thermodynamic model with a function of temperature.
研究领域:
化学工程
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热力学
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DOI
高影响因子
Journal of CO2 Utilization
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2022
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IF 8.321
Mengmeng Ma,Yuchen Liu,Yuli Chen,Guohua Jing,Bihong Lv,Zuoming Zhou,Shihan Zhang
The large-scale deployment of non-aqueous amine solution for carbon dioxide (CO 2 ) capture is mainly limited by its high viscosity, even insoluble substances in saturated solution, which may result in equipment fouling and pipeline blockage. To avoid this problem, the polyamine 1,5-diamino-2-methyl-pentane (DA2MP) was screened as the main absorbent to ensure the high absorption load. While 2-amino-2-methyl-1-propanol (AMP) was used as the regulator to reduce the viscosity and eliminate insoluble substances, which dissolved in n-propanol (PrOH) to from the novel non-aqueous absorbent for CO 2 capture. The CO 2 absorption load of the novel absorbent was 0.95 mol·mol −1 , and the viscosity of saturated solution was only 15.00 mPa·s, remarkably lower than that of the solution without AMP regulation. The solution maintained 97% of its initial CO 2 absorption capacity after fourth regeneration cycle. The regulation mechanism was investigated using 13 C nuclear magnetic resonance (NMR) and quantum chemical calculations. It was proved that a strong and dense hydrogen bond network between DA2MP-carbamates was formed due to the self-deprotonation process, leading to insoluble products in the saturated DA2MP/PrOH solution. Through AMP regulation, there was another type of DA2MP-carbamates deprotonated by AMP formed in the solution with less hydrogen bond network, which could further react with PrOH to produce alkyl carbonates, achieving the elimination of insoluble products and reducing viscosity. Overall, the total regeneration energy consumption was 1.86 GJ·ton −1 CO 2 , only 50.27% of that of the benchmark monoethanolamine (MEA)-based solution, which would be a promising candidate for CO 2 capture.
研究领域:
化学工程
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环境科学
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DOI
高影响因子
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
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2025
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IF 3.9
Liuxing She,Lei Peng,Hang Yuan,Tianrong Zhu,Qiang Fu,Zaikun Wu
The absorption kinetics of CO2 into a novel nonaqueous mixture of 2-amino-2-methyl-1-propanol (AMP) and piperazine (PZ) was studied at atmospheric pressure. The effects of AMP/PZ molar ratio, total concentration, absorption temperature, and inlet flow rate were discussed. The results showed that the composite absorbent with an AMP/PZ ratio of 6:4 had a good effect on the CO2 absorption at 293 K. Unlike relevant reports at home and abroad, the solubility of CO2 in the 1-pentanol solution of AMP and PZ (AMP-PZ-Pentanol) was calculated based on a solution rule model and relevant data from Aspen Plus. The absorption kinetics of CO2 into nonaqueous composite absorbent was analyzed by a double stirred-cell absorber. It shows the enhancement factor increases with the increasing of total concentration but decreases with the increasing of absorption temperature. The absorption mechanism of CO2 in AMP-PZ-Pentanol was determined to be the formation of carbamate by FT-IR, 13C NMR, and XRD analysis. Based on the vapor–liquid equilibrium theory, the reaction heat of CO2 into the phase change absorbent was calculated to be 9.30 KJ mol–1. The results show that the composite absorbent has a lower reaction heat than any single component in it. The desorption experiment of saturated solution shows that the composite absorbent can be completely regenerated in a short period of time, which meets the industrial requirements for CO2 absorbents and will provide a theoretical basis for further industrial applications of this type of absorbent.
研究领域:
化学工程
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环境科学
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材料科学
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DOI
高影响因子
ENERGY & FUELS
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2020
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IF 3.421
Ruihan Luo,Xiuge Zhao,Honghui Gong,Wei Qian,Difan Li,Manyu Chen,Kai Cui,Jiajia Wang,Zhenshan Hou
Hydrogenolysis of glycerol to propanols is highly promising for the sustainable development of biomass refining. In this work, modified amorphous zirconium phosphate (ZrP)-supported Pt catalysts were developed and characterized thoroughly by X-ray diffraction, temperature-programmed desorption of ammonia, Fourier transform infrared spectra of adsorbed pyridine, temperature-programmed reduction, high-resolution transmission electron microscopy, X-ray photoelectron spectroscopy, and Brunauer–Emmett–Teller surface area. The as-obtained catalysts were employed for selective glycerol hydrogenolysis to 1-propanol (1-PO) in a fixed-bed reactor. Owing to the incorporation of WOx, both the total acidity and the dispersion of Pt nanoparticles were enhanced significantly. The Pt/7WOx-ZrP catalyst could afford 81% yield of 1-PO at full conversion of glycerol in a long-term catalytic stability test (at least 70 h reaction time) and was regenerated by calcination in air. The results of the catalytic activity test and catalyst characterization indicated that the acid sites of the catalysts promoted the selective dehydration of glycerol into acrolein, whereas the Pt sites facilitated H2 dissociation and a sequential hydrogenation of acrolein into 1-PO.
研究领域:
催化化学
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可再生资源转化
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材料科学
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DOI
高影响因子
FLUID PHASE EQUILIBRIA
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2015
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IF 2.2
Yanni Du,Haiyang Wang,Shichao Du,Yan Wang,Cui Huang,Yujia Qin,Junbo Gong
In this study, the liquid–liquid phase separation and crystallization of vanillin from 1-propanol/water solution were investigated. It was found that water could contribute to the improvement of vanillin solubility in 1-propanol/water solution, but the solubility of vanillin decreased with the increasing water/1-propanol ratios, when the water content was over 30 wt.%. High water fraction in 1-propanol/water solvents will result in the liquid–liquid phase separation in the crystallization process , and the liquid–liquid phase separation dominated the process before the nucleation of crystals during the crystallization of vanillin. A ternary phase diagram (vanillin/1-propanol/water) including the solubility curves and the liquid–liquid phase separation curves was measured and could, in certain cases, clearly illustrate the liquid–liquid phase separation and crystallization process of vanillin in 1-propanol/water solutions. As shown in the ternary phase diagram, liquid–liquid phase separation under high initial vanillin concentration results in low purity of vanillin crystals due to the inhibited crystallization process by liquid–liquid phase separation. Partial phase immiscibility was a function of temperature and the range of immiscibility decreased with increasing temperature. Moreover, nucleation and crystal growth of vanillin in the presence of liquid–liquid phase separation were investigated; process parameters such as the composition of solvent, cooling profiles and seeding were optimized to avoid liquid–liquid phase separation and thus increase the purity of crystallization products.
研究领域:
化学工程
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材料科学
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DOI
高影响因子
APPLIED ENERGY
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2019
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IF 8.426
Rujie Wang,Shanshan Liu,Lidong Wang,Qiangwei Li,Shihan Zhang,Bo Chen,Lei Jiang,Yifeng Zhang
A monoethanolamine/1-propanol aqueous biphasic absorbent with rapid absorption rate and low regeneration energy was proposed to enhance the CO 2 capture technology. 1-propanol was used as a physical solvent and phase splitter, which increased the mass transfer coefficient from 1.83 to 2.36 × 10 −10 mol cm −2 s −1 Pa −1 and triggered the liquid–liquid phase separation due to the salting-out effect. CO 2 capture process was modeled using an Aspen plus simulator by incorporating a decanter according to experimental results of phase separation. Energy consumption was analyzed considering the solvent circulation rate, lean loading, operating pressure, and biphasic solvent concentration. Because only the CO 2 -rich phase was required to be regenerated, a decreased stripping volume and high m CO2 /m H2O were achieved. Sensible and vaporization heats substantially decreased by 80% and 75%, respectively, and the total regeneration energy decreased by 39.85%. Moreover, the cyclic capacity was increased from 1.01 to 2.51 mol/kg, which substantially reduced the equipment footprint. This study provides new insights into biphasic solvents with considerable energy saving for CO 2 capture.
研究领域:
化学工程
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环境科学
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DOI
高影响因子
Carbon Capture Science & Technology
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2024
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IF 10.4
Xiaobin Zhou,Yunqiong Tang,Chao Liu,Shengpeng Mo,Yinming Fan,Dunqiu Wang,Bihong Lv,Yanan Zhang,Yinian Zhu,Zongqiang Zhu,Guohua Jing
To tackle the prevalent challenges encountered with polyamine-based non-aqueous absorbents (NAAs), particularly the formation of viscous products and inferior regeneration performance, this study proposed an innovative synergistic regulation strategy that integrated 2-amino-2-methyl-1-propanol (AMP) and n-propanol (NPA). Accordingly, a novel tertiary tetraethylenepentamine (TEPA)-AMP-NPA (T-A-N) NAA was devised. The optimized T-A-N maintained complete homogeneity throughout the entire CO 2 absorption process and achieved an impressive CO 2 loading of 1.15 mol·mol −1 while maintaining a low viscosity of merely 22.47 mPa·s. Remarkably, its absorption capacity showed little decrement after four consecutive absorption-desorption cycles, underscoring its exceptional recyclability. Within the T-A-N system, AMP underwent a reaction with CO 2 , yielding AMP-carbamate and protonated AMP, while TEPA engaged in CO 2 absorption to form zwitterionic carbamates. During the desorption process, NPA served as a regeneration activator, facilitating the conversion of stable TEPA-carbamates into less stable alkyl carbonate intermediates, thereby enhancing the T-A-N's regeneration performance. Moreover, the T-A-N system addressed the issue of TEPA-carbamate self-aggregation into insoluble gelatinous substances by leveraging the synergistic enhancement effects between AMP derivatives and NPA. Specifically, these components effectively bound TEPA-carbamate species via robust electrostatic affinity and intermolecular hydrogen-bond interactions, inhibiting their self-aggregation and preventing the formation of insoluble products. Furthermore, T-A-N exhibited a significant reduction in both sensible and latent heat requirements, by 67 % and 82 % respectively, compared to 30 wt% MEA, highlighting its advantageous energy-saving potential for CO 2 capture. Overall, harnessing the synergistic enhancement effects of AMP and NPA was conducive to the development of polyamine-based NAAs that offered superior CO 2 capture reversibility, low energy consumption, and resistance to insoluble product formation.
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
CHEMICAL ENGINEERING JOURNAL
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2024
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IF 13.3
Mingwei Zhang,Cheng-Bin Hong,Zhaoying Ding,Yujing Weng,Honghui Gong,Haiyong Wang,Yulong Zhang,Yuhe Liao,Haichao Liu
Hydrogenolysis of glycerol is an important reaction in biomass valorization, and requires efficient catalysts for selectively removing its hydroxyl groups to yield valuable chemicals, such as 1-propanol and 1,2-propanediol. In this work, we synthesized a porous and non-stoichiometric tungsten oxide (WO x ) by a solvothermal method, and a serious of WO x -supported Pt and Mn ((Mn)Pt/WO x ) catalysts by reduction with H 2 at different temperatures. On these catalysts, the product selectivity in the glycerol hydrogenolysis was significantly influenced by the presence of the Mn species and reduction temperatures. The catalysts after reduction with H 2 at lower temperatures favored the formation of 1-propanol, affording a yield of 88.0 % at 240 °C, while those reduced at higher temperatures facilitated the formation of 1,2-propanediol in a yield of 93.0 % under the same reaction conditions. Extensive analysis of these catalysts by in-situ and ex-situ characterizations showed that the high-temperature reduction led to the formation of MnWO 4 on the Mn/Pt/WO x catalysts and the consequent decrease in the acidic sites and increase in the basic sites, facilitating the alkali-assisted dehydrogenation of glycerol and selective formation of 1,2-propanediol. This study provides fundamental insights into the role of the W and Mn species in tuning the selectivity of the glycerol hydrogenolysis, which will be valuable for designing catalysts towards the valorization of other biomass-based feedstocks.
研究领域:
催化化学
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生物质转化
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材料科学
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产品关联
DOI
高影响因子
POLYMER DEGRADATION AND STABILITY
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2013
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IF 2.77
Hua Yan,Chunxiang Lu,Deqi Jing,Xianglin Hou
Chemical decomposition of an epoxy system made of tetraglycidyl 4,4′-diaminodiphenylmethane (TGDDM) and 4,4′-diaminodiphenylsulfone (DDS) in supercritical 1-propanol was investigated under different reaction temperature and time. The GC–MS results suggested that the epoxy system was decomposed to the products including aniline, N-propylbenzenamine, and 4,4′-diaminodiphenylsulfone. The change of the products' yield with time was measured by GC . In addition, the formed chars were characterized by SEM, elemental analysis , Raman and XRD . The results implied the presence of some graphite microcrystals and disordered structure in the solid residue. Upon the addition of KOH, the Guerbet reaction of 1-propanol was promoted to generate more hydrogen. A possible free-radical reaction mechanism was proposed for the depolymerization of TGDDM/DDS epoxy resin . Hydrogenation of radicals had a promotion effect on thermolysis of TGDDM/DDS epoxy resin.
研究领域:
化学工程
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材料科学
✓ 已验证
DOI
高影响因子
危险品化学品经营许可证（带存储）