JOURNAL OF CHEMICAL THERMODYNAMICS
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2016
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IF 2.196
Maogang He,Nan Xin,Chengjie Wang,Yang Liu,Ying Zhang,Xiangyang Liu
In this work, we used a flow method for measurement of critical properties of six binary mixtures (2-butanol + cyclohexane, 2-butanol + hexane , 2-butanol + heptane, 2-butanol + octane, 2-butanol + nonane and 2-butanol + decane) and two ternary mixtures (2-butanol + hexane + heptane and 2-butanol + octane + decane). The critical properties were determined by observing the disappearance and reappearance of the gas–liquid phase meniscus in a quartz glass tube. The standard uncertainties of temperatures and pressures for both binary and ternary mixtures were estimated to be less than 0.2 K and 5.2 kPa, respectively. These critical data provide the boundaries of the two-phase regions of the related mixture systems. Six binary systems show non-ideal behaviors in the loci of critical temperatures. We used the Redlich–Kister equations to correlate the critical temperatures and pressures of these systems and listed the binary interaction parameters. The maximum average absolute deviation (AAD) of each binary system between experimental data and calculated results from Redlich–Kister equations is 0.038% for critical temperatures, and 0.244% for critical pressures. Moreover, the two ternary systems were newly reported and correlated by Cibulka’s and Singh’s expressions. The maximum AAD of critical temperatures and critical pressures are 0.103% and 0.433%, respectively.
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JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY
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2016
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IF 4.179
Jian He,Hu Li,Yanxiu Liu,Wenfeng Zhao,Tingting Yang,Wei Xue,Song Yang
A series of mesoporous acid–base bifunctional Zr/B mixed oxides with different molar ratios were prepared by a sol–gel method, and developed for conversion of ethyl levulinate (EL) to γ -valerolactone (GVL) by using alcohol as hydrogen source. The morphological structures and physico-chemical characteristics of the synthesized materials were identified by various techniques. A high GVL yield of 88.5% was achieved from EL in 2-propanol when Zr 1 B 1 was used. And acid–base sites played a synergic role in synthesizing GVL from EL as evident by poisoning experiments. Furthermore, the catalyst could be reused several times without significant loss of its catalytic activity.
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JOURNAL OF CHEMICAL THERMODYNAMICS
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2024
·
IF 2.2
Jing Xia,Zhigao Sun
Thermodynamic inhibitors may be used to inhibit hydrate formation in industry. Alcohol substances, due to their hydrophilic hydroxyl groups in their molecular structure, are prone to form hydrogen bond with water molecules to inhibit hydrate formation. In this work, sec -butyl alcohol is chosen to study the effects on CO 2 hydrate dissociation equilibrium conditions, where the step-heating method is utilized to obtain hydrate equilibrium conditions. The equilibrium curve of carbon dioxide hydrate dissociation moves to the region of lower temperatures or higher pressures. The higher mass fraction of sec -butyl alcohol, the better effect of inhibiting hydrate formation. Sec-butyl alcohol can be used as a thermodynamic hydrate inhibitor.
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FUEL
·
2024
·
IF 6.7
Yuan Liu,Fang Liu,Li Yang,Feiqiang Guo,Shiliang Wu,Rui Xiao
The work introduced an innovative pathway for converting biomass-derived carbonyls into long-chain ethers, examining their low-temperature oxidation in a modified Cooperative Fuel Research (CFR) engine. The conversion of 2-butanone achieved 100 % and the selectivity of sec -butyl isopropyl ether reached the maximum of 83.13 % under optimal reaction conditions. Conversion of biomass-derived carbonyls increased from 31.77 % at 1 h to 36.28 % at 12 h, with the mass yield of long-chain ethers rising from 53.94 % to 62.86 %. At the same compression ratio, the maximum in-cylinder pressure and temperature increased as the long-chain ethers blending ratio increased. At the critical compression ratio, the net heat release rates (NHR) for blended fuels with 10 vol%, 20 vol% and 30 vol% long-chain ethers at the low-temperature heat release peak were 9.6 J/deg, 10.1 J/deg, and 10.0 J/deg better than that of n -heptane (6.3 J/deg), respectively. CO emissions from blended fuels before compression ignition were higher than n -heptane, while the value for the blended fuel with 30 vol.% long-chain ethers was reduced by 44.97 % compared to n -heptane after autoignition.
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Crystals
·
2024
·Vol. 14
·期 10
·868
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IF 2.4
Tengteng Li,Huijia Wu,Yafeng Hao,Fupeng Ma,Pu Zhu,Ziwei Li,Fengchao Li,Jiangang Yu,Meihong Liu,Cheng Lei,Ting Liang
Perovskite can be used to prepare high-performance photodetectors due to its excellent optical properties. However, the detection range of perovskite photodetectors is mostly limited to the visible light range, restricting their further development and application. In recent years, combining perovskite with organic bulk heterojunctions to prepare photodetectors with broadband detection capability has proven to be an effective strategy. Through this approach, the response spectrum of the photodetector can be flexibly regulated, and organic compounds can improve the perovskite film quality by passivating defects and inhibit the penetration of water molecules in the air, thereby improving the device performance and stability. In this work, we propose and demonstrate the feasibility of combining MAPbI3perovskite with PTB7-Th:COTIC-4F to prepare high-performance photodetectors with wide spectral response characteristics. With the assistance of an organic bulk heterojunction, the defects of perovskite crystals are effectively passivated, and the detection spectrum of the device is successfully extended to about 1100 nm. As a result, the responsivity achieved is 0.58 A/W, 1.19 A/W, and 1.41 A/W under laser illumination of 532 nm, 808 nm, and 980 nm, with the power density of 5 μW/cm2at the bias voltage of −0.5 V, respectively, which is one of the best performances among vertical device structures of this type. Moreover, the stability of the final hybrid film has been greatly improved. This work provides a new approach to the preparation of high-performance and broadband perovskite photodetectors.
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EXPERIMENTAL THERMAL AND FLUID SCIENCE
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2024
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IF 2.8
Xuan Zhao,Dandan Qi,Kaixuan Yang,Chen Chen,Lei Xu,Yaoyao Ying,Tianjiao Li,Guangxue Zhang,Dong Liu
The effects of four butanol isomers additions on sooting transition process were studied in iso -octane counterflow diffusion flame combining flame luminosity characteristics and gas-phase combustion chemistry. Flame luminosity characteristics was obtained to determine the sooting transition points of all investigated flames with homemade image processing and transition point extraction methods. The results indicated that the delay effect has occurred on sooting transition point in four blended flames with a little difference. Gas-phase combustion chemistry of the different flames in sooting transition process was studied experimentally by an online GC system as well as numerically by kinetic analysis realized with two distinct kinetic mechanisms. In addition, soot formation characteristics have also been qualitatively analyzed with soot model . Experiments and simulations show that, depending on the butanol isomer, the intermediate species production is clearly different. These different species pools play an important role on soot formation pathways as demonstrated by the simulations. Although n -butanol and sec -butanol were weaker in benzene formation, stronger C 2 H 2 production capacity was dominant in PAHs growth. Tert -butanol had the highest C 6 H 6 concentration with a ratio of 7 %−15 % higher than the other isomers due to the strongest IC 4 H 8 production capacity. Therefore, its flame also has the highest PAHs concentration. Both effect mechanisms existed in iso -butanol blended flame.
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Small
·
2024
·Vol. 20
·期 44
·2404581
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IF 13
Pengxiang Zhang,Feng Dang,Xin Zhang,Ce-Wen Nan,Bao-Wen Li
Printing technology enables the integration of chemically exfoliated perovskite nanosheets into high-performance microcapacitors. Theoretically, the capacitance value can be further enhanced by designing and constructing multilayer structures without increasing the device size. Yet, issues such as interlayer penetration in multilayer heterojunctions constructed using inkjet printing technology further limit the realization of this potential. Herein, a series of multilayer configurations, including Ag/(Ca 2 NaNb 4 O 13 /Ag) n and graphene/(Ca 2 NaNb 4 O 13 /graphene) n ( n = 1–3), are successfully inkjet-printed onto diverse rigid and flexible substrates through optimized ink formulations, inkjet printing parameters, thermal treatment conditions, and rational multilayer structural design using high- k perovskite nanosheets, graphene nanosheets and silver. The dielectric performance is optimized by fine-tuning the number of dielectric layers and modifying the electrode/dielectric interface. As a result, the graphene/(Ca 2 NaNb 4 O 13 /graphene) 3 multilayer ceramic capacitors exhibit a remarkable capacitance density of 346 ± 12 nF cm −2 and a high dielectric constant of 193 ± 18. Additionally, these devices demonstrate moderate insulation properties, flexibility, thermal stability, and chemical sensitivity. This work shed light on the potential of multilayer structural design in additive manufacturing of high-performance 2D material-based ceramic capacitors.
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JOURNAL OF PHYSICAL CHEMISTRY B
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2024
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IF 2.8
Xingyu Wen,Wenshuai Bai,Dayu Zhang
The sulfuric–acid-catalyzed esterification reaction of 2-butanol and propionic anhydride is a vital industrial process. In this paper, several experiments are conducted via reaction calorimetry to validate that both sulfuric and propionic acids have discernible catalytic effects on the reaction. This finding complicates the accurate description of the reaction kinetics through traditional methods. So this paper turns to a kinetic-free black-box model, Gaussian process regression (GPR) model via 24 experiments, as a more adaptable approach. Besides, the best GPR model is combined with traditional heat balance model to generate a hybrid gray-box model, which can give complete knowledge of reaction process. The hybrid gray-box model finally achieves maximum root-mean-square error (RMSE) of 0.0069 for conversion, 0.6535 for temperature, and 10.6087 for heat flow rate, underscoring its pretty good predictive ability.
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Nanomaterials
·
2024
·Vol. 14
·期 10
·834
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IF 4.4
Yuntian Du,Pengxiang Zhang
The value of two-dimensional (2D) materials in printed electronics has been gradually explored, and the rheological properties of 2D material dispersions are very different for various printing technologies. Understanding the rheological properties of 2D material dispersions plays a vital role in selecting the optimal manufacturing technology. Inkjet printing is suitable for small nanosheet sizes and low solution viscosity, and it has a significant advantage in developing nanosheet inks because of its masklessness, high efficiency, and high precision. In this work, we selected 2D Ti0.8Co0.2O2nanosheets, which can be synthesized in large quantities by the liquid phase exfoliation technique; investigated the effects of nanosheet particle size, solution concentration on the rheological properties of the dispersion; and obtained the optimal printing processing method of the dispersion as inkjet printing. The ultrathin Ti0.8Co0.2O2nanosheet films were prepared by inkjet printing, and their magnetic characteristics were compared with those of Ti0.8Co0.2O2powder. The films prepared by inkjet printing exhibited long-range ordering, maintaining the nanosheet powders’ paramagnetic characteristics. Our work underscored the potential of inkjet printing as a promising method for fabricating precisely controlled thin films using 2D materials, with applications spanning electronics, sensors, and catalysis.
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ACS Applied Materials & Interfaces
·
2018
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IF 8.097
Qinjun Sun,Shaolong Zhou,Xiaolei Shi,Xiaochun Wang,Liyan Gao,Zhanfeng Li,Yuying Hao
CuO nanowires (NWs) with the diameters ranging from 130 to 275 nm have been successfully prepared by electrospinning technique, followed by a calcination process. Inverted planar heterojunction perovskite solar cells (PSCs) with the structure of indium tin oxide/CuO NWs/poly(3,4-ethylenedioxythiophene) (PEDOT):poly(styrenesulphonate) (PSS)/CH3NH3PbI3/phenyl C61-butyric acid methyl ester/Bphen/Ag were designed, achieving a best power conversion efficiency (PCE) of 16.87%, which is 21% improvement compared to that of the control PSCs without CuO NWs. By the characterizations of an optical microscope, X-ray diffraction, and scanning electron microscopy, it was found that CuO NWs have uniform morphology and orderly arrangement. Electrochemical impedance spectrometry and external quantum efficiency were used to reveal the effect of CuO NWs on the performance of PSCs. Compared to ZnO NWs with the same diameters and quantitative analysis based on a simple model, we conclude that the improvement of PCE by about 13% can be ascribed to the increase of the PEDOT:PSS/CH3NH3PbI3 interface area and the remaining increase of 8% can be attributed to the higher hole mobility of the CuO NWs/PEDOT:PSS composite film. The results indicate that the efficiency of PSCs will have a significant enhancement when the optimal CuO NWs are introduced into the charge transport layer.
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BIOMASS & BIOENERGY
·
2017
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IF 3.219
Haian Xia,Hong Hu,Siquan Xu,Kehao Xiao,Songlin Zuo
A series of Fe/β zeolite catalysts with various Fe/Al ratios were prepared by liquid ion-exchanged method and were characterized by N 2 adsorption, XRD , UV–Vis DRS, EPR , NH 3 -TPD, and FTIR of pyridine adsorption techniques. The catalysts were used to catalyze the transformation of glucose into 5-hydorxymethyfural (HMF) in a biphasic reaction system under mild reaction conditions. The Fe/β catalysts with Lewis acidic Fe sites is able to effectively improve the HMF yield compared to H-β zeolite under identical reaction conditions, which is ascribed to the enhanced isomerization activity of glucose-to-fructose by Lewis acidic Fe species. Moreover, the Fe/Al ratio had a remarkable impact on the conversion of glucose and the yield of HMF, indicating that the synergetic effect of Lewis and Brønsted acid sites is critical to achieving high HMF yield. Under optimal reaction conditions, Fe/β-0.06 catalyst afforded 61% HMF yield at glucose conversion of 95% after the reaction of 90 min at 120 °C, which is one of the most effective catalysts for the conversion of glucose into HMF in a biphasic medium up to now. Furthermore, extra-framework isolated Fe species bound to the framework Al sites, are most likely the active sites for the isomerization of glucose-to-fructose in the conversion of glucose. The catalysts were very stable and could be reused at least five runs without significant loss in the catalytic activity .
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FUEL
·
2024
·
IF 6.7
Hongbin Xia,Yuxin Wang,Rui Xia,Xinyang Xiong,Guangwen Xu,Jinggang Zhao,Jun Zhou,Lei Shi
An acetate-functionalized heterogeneous catalyst, N + -(Ac), was successfully synthesized via directed substitution of an inert site in quaternary ammonium resin by a weak-base active center and applied to the transesterification of dimethyl oxalate (DMO) with ethanol to prepare diethyl oxalate (DEO). When the optimal N + -(Ac) catalyst catalyzed the DMO transesterification with ethanol for 2 h, the DMO conversion, DEO yield, and corresponding turnover frequency (TOF) reached 93.4%, 49.7%, and 13.04 h −1 , respectively. Additionally, the synthesized N + -(Ac) exhibited catalytic universality for DMO transesterification with different alcohols, and the catalytic efficiency decreased with increasing difficulty of cleaving the hydrogen–oxygen bond from C 2 to C 4 and steric hindrance of isomeric alcohols. The pretreatment experiments of catalyst with different water content and raw materials were designed and the resin matrix, fresh catalyst, deactivated catalyst and regenerated sample were systematically analyzed using various characterization techniques to investigate the catalytic deactivation mechanism of the transesterification reaction between DMO and ethanol to synthesize DEO. The results showed that DMO played a key role in catalyst deactivation and the catalyst was deactivated upon replacement of the active sites by monomethyl oxalate anions from hydrolysis side reaction of DMO. Finally, an efficient raw material regeneration strategy for the catalyst was proposed. Herein, new theoretical support is introduced for the structural evolution of weak-base catalysts and will aid in developing heterogeneous catalysts for oxalate transesterification.
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