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2020年 第22卷 第1期    刊出日期:2020-03-30
目录-Content
 
2020, 22(1):  0-0. 
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 Content of this issue
Scientific Research
Study on catalytic cracking of cyclohexane to produce light olefins
陈惠 王鹏 严加松
2020, 22(1):  1-7. 
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Enzymatic conversion of biobased levulinic acid into alternative biofuel candidate─methyl levulinate
徐艳丽 李攀 常春 白净 方书起 杜择基 王子华
2020, 22(1):  8-16. 
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Methyl levulinate (ML) is a promising green candidate as bio-based diesel fuel and fuel additive. An efficient process for synthesis of ML from levulinic acid (LA) in methanol medium catalyzed by enzyme was developed. The catalytic activity of a series of lipases including Novozyme 435 (N435), NRTL IM and 40086 for the synthesis of ML from LA was screened, and the N435 can be used as the optimal biocatalyst for the process. Effects of lipase amount, methyl tert-butyl ether (MTBE) volume, molar ratio of methanol to LA, reaction temperature and rotation speed on LA conversion and ML yield were investigated respectively. On the basis, the response surface methodology was adopted to optimize the enzymatic conversion process, and the model validation experiments showed the predicted values kept good correspondence with the actual values. The LA conversion of 90.1% and ML yield of 89.8% can be achieved under the conditions of reaction temperature 45 ℃, reaction time 4.6 h, amount of N435 26 mg, molar ratio of methanol to LA 3.6:1, MTBE volume 3.85 mL and rotation speed 150 rpm. The recycling experiment of N435 indicated that the lipase maintained high activity after twelve runs. However, using the crude LA prepared from carbohydrates as the reactant, the conversion of LA and ML yield decreased due to the impurity of crude LA.
High-performance graphene-intercalated halloysite nanotubes for reinforcing PTFE
刘赞 程志林
2020, 22(1):  17-23. 
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In this paper, the preparation of graphene (GN) and graphene-intercalated halloysite nanotubes (GN/HNTs) nanomaterials was achieved by HNTs template. As a promising application, a series of the polytetrafluoroethylene (PTFE) nanocomposite filled with GN and GN/HNTs with different mass fractions were prepared. The mechanical and friction properties of PTFE nanocomposites depending on mass fraction were intensively investigated. The comparison between GN and GN/HNTs as filler affecting on properties of PTFE was presented. The results showed that in enhancing tensile strength of PTFE, the enhancement effect of GN is superior to GN/HNTs, and in the elongation at break, the filling GN/HNTs could reserve more toughness than GN. The Young's modulus of the filling GN/HNTs is about 1.9 times larger than pure PTFE, and superior to GN/HNTs. The friction coefficient of PTFE nanocomposites filled with GN and GN/HNTs was slightly higher than pure PTFE and the latter was lower than the former. The volume wear rate of PTFE nanocomposites filled with GN/HNTs was obviously lower than filling GN, which exhibited the better wear resistance of GN/HNTs as filler.
HYDROTREATING OF LOW-TEMPERATURE COAL TAR OVER CoMo CATALYSTS SUPPORTED ON ZrO2-SiO2 and ZrO2-Al2O3 COMPOSITE OXIDES
杨加可 孟记朋 左童久 陆江银
2020, 22(1):  24-31. 
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The CoMo catalysts supported on ZrO2-SiO2 and ZrO2-Al2O3 composite oxides with different ZrO2 content were prepared via incipient wetness technique and characterized by X-ray diffraction(XRD), fourier transform infrared spectroscopy (FT-IR), scanning electron microscopy(SEM), temperature programmed desorption(NH3-TPD), temperature program reduction(H2-TPR) and N2 adsorption technologies. The results showed that ZrO2 mainly existed as an amorphous phase in composite oxides, which improved the thermal stability of ZrO2, and its introduction could improve the dispersion of active metals, further enhance the reductivity of active metals. The acidic sites of catalysts increased with the incorporation of ZrO2, which was beneficial to improve the hydrocracking performance of catalysts. The catalytic performance of catalysts was evaluated in the hydrotreating of low-temperature coal tar (LTCT) for gasoline fraction(<180 oC) and diesel fraction(180 oC- 300 oC) and the results showed that the ZrO2-doped CoMo catalysts exhibited better performance comparing with comparative catalysts. The CoMo/ZrO2-Al2O3 catalysts with 24 % content of ZrO2 presented the excellent hydrotreating performance, and the conversion of residue fraction and the yield of gasoline and diesel fractions were 61 wt% and 66.5 wt%, respectively.
Scientific Research
Research on Fossil Fuel Related Carbon Emissions Reduction Scheme Effects
赵立祥 杨楚潇
2020, 22(1):  32-39. 
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Excessive carbon emissions caused by the use of fossil fuels such as coal, oil and natural gas have caused many environmental problems such as climate warming. Supports from regulations and policies have gradually implemented in this area. However, which type of carbon mitigation policy is optimal and whether it is better to apply mixed policy instead of single one is not clear yet. In this paper, we develop a modified dynamic stochastic general equilibrium (DSGE) model with macroeconomic data to evaluate and discuss which is the suitable carbon mitigation policies in China. Results showed that fossil fuel’s demand has rigidity in response to technology shocks and corresponding carbon emissions didn’t change much under the three different policies constraint. Compare to the other two policies, a carbon emissions trading scheme has a relatively slight effect on the economy. Carbon emissions policy has a minus impact on the economy, and a mandatory carbon price would have a more significant impact than a market-based carbon price. Carbon mitigation policy choice is not absolute and it should be chosen according to the economic development stage and acceptability of the public.
Simulation and Optimization
硫化物和氮化物在NiMoS活性相上吸附的DFT计算
王薇 李会峰 韩伟 张乐 赵晓光 李明丰
2020, 22(1):  40-48. 
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本研究在包含Mo边、S边和角位的六边形团簇模型基础上,通过DFT计算对硫化物和氮化物在NiMoS相上的吸附进行了研究。结果表明在各活性中心上喹啉的吸附均强于苯并噻吩,但含有Ni的Mo边和角位对硫化物的选择性更高。这解释了氮化物对加氢脱硫抑制作用,也表明增加助剂Ni可能会减弱氮化物对加氢脱硫的抑制作用。
氧化产物聚集及汽油清净剂分散作用机理的分子模拟研究
李娜 龙军 赵毅 陶志平 郭莘 韩璐
2020, 22(1):  49-59. 
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Molecular simulation of critical parameters of nano-confined n-alkanes
张平野 杨长春 王舒
2020, 22(1):  60-68. 
摘要 ( 103 )   PDF (591KB) ( 474 )  
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TraPPE force field combined with grand-canonical transition-matrix Monte Carlo simulation were used to investigate the vapor-liquid coexistence curve and critical properties of methane, ethane, propane and n-butane in slit pores ranging from 6? to 40?. Long range correction for intermolecular potential in slit pore model was developed, and the fact that its influence on varies thermodynamical properties is not negligible was found. The simulation results show that the thermodynamical properties of nano-confined alkanes shift tremendously from bulk state. The critical temperature under confinement experience a roughly linear decrease with an inverse in the slit width, while critical pressure and critical density have relatively increasement relate to carbon number on both large slit width region and small slit width region. Further analysis on z-density profiles of alkanes revealed that the complex behaviors of shift in critical parameters are results of interplay between fluid-fluid and fluid-wall interaction.
Structural Optimization of a Horizontal Gas-solid Rapid Separation Device
安晓熙 范俊峰 田原宇 乔英云 宗培杰
2020, 22(1):  69-77. 
摘要 ( 92 )   PDF (632KB) ( 454 )  
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Catalyst Research
Effect of ball-milling time on the performance of Ni-Al2O3 catalyst for 1,4-butynediol hydrogenation to produce 1,4-butenediol
郜宪龙 莫文龙 马凤云 何小强
2020, 22(1):  78-86. 
摘要 ( 161 )   PDF (1263KB) ( 756 )  
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Ni-Al2O3 catalyst was prepared by mechanochemical method in combination with planetary ball-milling machine. Effect of milling time on the crystal structure, reduction characteristics and catalytic hydrogenation performance of Ni-Al2O3 catalyst for 1,4-Butynediol to produce 1,4-butanediol were investigated. The catalysts were characterized by PSD, EDX, XRD, H2-TPR, BET, TEM, NH3-TPD methods. Results showed that the MCt2.5 catalyst at the ball milling time of 2.5 h performed the smallest particle size of 191.0 nm. Evaluation experiment investigated that the activity of the prepared catalyst increased firstly and then up to the constant value with the extension of ball-milling time. The BYD conversion, BED selectivity and yield of the MCt2.5 catalyst were up to 35.63%, 33.48% and 32.46%, respectively, higher than others. The excellent performance of MCt2.5 sample is mainly related to the following three reasons from characterization results. Firstly, it is of the smallest particle size of 191.0 nm; and then, the surface acid (strong acid) of the catalyst was weaker than other catalysts; the last, the loading amount (23.84 wt.%) of the active component Ni exceeded the theoretical value (20 wt.%).
Effect of the morphology structure of PtSnNa/ZSM-5 on the catalytic performance in propane dehydrogenation to propylene
王泳娟 周钰明 周诗健 贺强 仲洋洋
2020, 22(1):  87-97. 
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Process Research
中低温煤焦油加氢裂化集总动力学模型的研究
陈莽 赵加民 袁迎
2020, 22(1):  98-103. 
摘要 ( 151 )   PDF (459KB) ( 490 )  
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以煤焦油为原料,在高压固定滴流床反应器中,以工业NiMo/Al2O3为催化剂,考察了360-380℃范围内煤焦油的产物分布,基于此建立了5集总煤焦油加氢裂化动力学模型。动力学模型的集总包括:未反应的煤焦油、柴油、汽油、气体和焦炭。通过对实验产物与模型预测产物的对比数据,发现本文所建立的动力学模型可以用于煤焦油加氢裂化过程。同时,基于动力学模型,进一步分析了煤焦油的加氢裂化机理:在整个煤焦油加氢裂化过程中,柴油馏分可作为反应中间组分。
亚高原地区变压精馏分离乙酸乙酯-乙醇的研究
王克良 李静 连明磊 李志 杜廷召
2020, 22(1):  104-110. 
摘要 ( 151 )   PDF (597KB) ( 761 )  
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对亚高原地区乙酸乙酯-乙醇共沸物进行了变压精馏分离工艺(PSD)模拟,低压塔压力设定为云贵高原地区的大气压0.85 atm,高压塔压力设定为3 atm。以年度总费用TAC最小为依据,对各项设计变量如理论塔板数、回流比和进料位置等进行了优化,在此基础上,本文又进行了部分热集成变压精馏(PHIPSD)和完全热集成变压精馏(FHIPSD)的工艺设计。结果表明热集成工艺需要更低的设备成本和能耗成本,相比无热集成工艺,部分热集成变压精馏(PHIPSD)和完全热集成变压精馏(FHIPSD)的年度总费用TAC分别节省27.82 %和28.89 %,完全热集成变压精馏工艺可以有效分离乙酸乙酯—乙醇共沸物,且经济上更合理,本文的研究内容为亚高原地区此类共沸物的分离提供一些技术参考。
UASB反应器内厌氧氨氧化与硫自养反硝化耦合实现完全脱氮研究
国亚东 白雪 于海彤 李雪晨 赵朝成 刘春爽
2020, 22(1):  111-117. 
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在UASB反应器内通过厌氧氨氧化与自养反硝化耦合作用实现完全脱氮。当总氮去除率从0.46 kgN/(m3 d) 逐渐增加到0.96 kgN/(m3 d)时,出水总氮浓度均低于3.0mg-N/L. 该耦合工艺对进水亚硝酸盐与氨氮比例不敏感,当亚硝酸盐与氨氮比例在1.35-1.55变化时能够实现完全脱氮。体系内单质硫的投加量能够调节自养反硝化菌与厌氧氨氧化菌之间的竞争。高通量测序表明Candidatus_Kuenenia和Thiobacillus是反应器内功能性厌氧氨氧化菌和自养反硝化菌。本研究为厌氧氨氧化技术规模化应用提供理论和技术基础。
Lubrication Research
不同维度纳米铜对锂基润滑脂摩擦学性能的影响机制
王晶 郭小川 米红英 周维贵 杨鑫
2020, 22(1):  118-126. 
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