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Journal of Environmental Sciences · 2025 · IF 6.3

Molecular composition of water soluble fraction of petroleum products and crude oils: Insights into groundwater contamination potential and environmental forensics

Wang Yu,Yuruo Wan,Wei Zhou,Jiayi An,Liting Tian,Jie Ma

Petroleum leakage is a major groundwater contamination source, with chemical composition of water soluble fractions (WSFs) from diverse oil sources significantly impacting groundwater quality and source identification. The aim of this study was to assess impact of 15 diverse oils on groundwater quality and environmental forensics based on oil-water equilibrium experiments. Our results indicate that contamination of groundwater by gasoline and naphtha is primarily attributed to volatile hydrocarbons, while pollution from diesel, kerosene, and crude oil is predominantly from non-hydrocarbons. Rapid determination of the extent of non-hydrocarbon pollution in WSFs was achieved through a new quantitative index. Gasoline and naphtha exhibited the highest groundwater contamination potential while kerosene and light crude oils were also likely to cause groundwater contamination. Although volatile hydrocarbons in the WSFs of diesel and jet fuel do not easily exceed current regulatory standards, unregulated non-hydrocarbons may pose a more severe contamination risk to groundwater. Notably, the presence of significant benzene and toluene, hydrogenation and alkylation products (e.g., C4-C5 alkylbenzenes, alkylindenes, alkyltetralins, and dihydro-indenes), cycloalkanes in WSFs can effectively be utilized for preliminary source identification of light distillates, middle distillates, and crude oils, respectively.

CAS / MDL: 144-55-8 497-19-8
研究领域: 环境科学 · 化学
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FUEL PROCESSING TECHNOLOGY · 2014 · IF 3.019

One-pot production of hydrocarbons from xylitol by hydroiodic acid reduction

Dong-Can Lv,Yun-Quan Liu,Shui-Rong Li,Yue-Yuan Ye,Duo Wang

In this work, direct production of heavier hydrocarbons from biomass-derived xylitol by reduction with hydroiodic acid (HI) in the presence of phosphorous acid (H 3 PO 3 ) was studied. The effects of the feed ratio of raw materials, mixing intensity, and reaction time on catalytic performance were investigated by experiments. It was found that the molar ratio of xylitol/HI and H 2 O/HI had significant effects on the conversion of xylitol and yield of hydrocarbons. A maximum yield of 80.3% for hydrocarbons was achieved at a xylitol/HI/H 3 PO 3 /H 2 O molar ratio of 0.4:1:2:12, a mixing intensity of 800   rpm, and a reaction time of 12   h. High performance liquid chromatography (HPLC) and gas chromatograph/mass spectrometer (GC/MS) were used to determine the amount of xylitol and to analyze the composition of hydrocarbon products, respectively. The hydrocarbons obtained are mainly C 10 and C 15 hydrocarbons with aromatic rings , which have a high heating value of 43   kJ/g, making them suitable for diesel or/and jet fuel substitutes.

研究领域: 生物化学 · 可再生能源
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MARINE AND PETROLEUM GEOLOGY · 2021 · IF 4.348

Dominant products and reactions during organic matter radiolysis: Implications for hydrocarbon generation of uranium-rich shales

Wenqing Wang,Chiyang Liu,Wenhui Liu,Xiaofeng Wang,Pei Guo,Jianqiang Wang,Zuodong Wang,Zhongping Li,Dongdong Zhang

Organic-rich shales are generally characterized by high uranium (U) contents. The effects of U irradiation on evolution and hydrocarbon generation of organic matter (OM) have attracted substantial attention. However, details on the generation mechanisms of products and the identification of dominant reactions occurring during OM radiolysis remain understudied. In this study, γ ray was used to irradiate immature kerogen and bitumen, and electron beam was for decane. The contents and carbon (C) isotopic compositions of gaseous products, the liquid products of decane, and the functional groups alterations of kerogens and bitumen were detected. The results showed that, the product generation corresponded well to the structural alteration of OM during radiolysis. C–H and R–CH 3 rupture contributed to H 2 and CH 4 generation, respectively. O-containing group cleavage caused CO 2 generation, and O 2 presence could enhance the oxidation of OM by joining in the structure of OM or by facilitating the formation of new oxides. H 2 O addition could not only provide O, enhancing the oxidation of OM, but could also provide H, thus promoting H 2 generation. We identified cracking, cross-linking, and oxidation reactions during the OM radiolysis. C isotopic composition changes in solid OM could facilitate identification of dominant reactions. Non-closed geological environment of shales promoted the occurrence of cracking reaction. The substantial radiation energy generated from U decay in U-rich shales was significant for OM evolution via decrease in H/C, increasing O/C, and via enhancement of dealkylation, aromatization and unsaturation, which were similar to the thermal effects. Moreover, U irradiation could also promote conventional gas and immature gas generation and could provide exogenous H for hydrocarbon generation of OM, especially for OM in an over mature stage. It is essential to consider the effects of U irradiation on the evolution, hydrocarbon generation, and resources assessment of U-rich shales.

CAS / MDL: 124-18-5
研究领域: 地质学 · 能源科学
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Materials Today Nano · 2022 · IF 13.364

An all-in-one zeolite@Ru–Al2O3 nanoplatform toward highly efficient, anti-coking, and recyclable hydrocarbon cracking catalysis

H. Wang,Y. Liu,H. Wang,J. Song,D. Ma,Z. Dai

Efficient utilization of hydrocarbon fuels holds great significance for the current vehicle low-emission requirements and future carbon-neutral society. However, the scenario that limits the effective fuel use and combustion is the present undesirable hydrocarbon-cracking catalysts of low activity, serious coking, and easy degradation. To tackle these issues, we rationally designed and synthesized an active, anti-coking, and recyclable all-in-one zeolite@Ru–Al 2 O 3 catalyst on FeCrAl support by steam-assisted crystallization and atomic layer deposition . Ru nanoclusters dispersedly on ZSM-5 can boost the catalytic efficiency for hydrocarbon cracking and anti-coking, while the protective Al 2 O 3 thin layers further ensure the reusable economy. As for n-dodecane (C 12 H 26 ) cracking reaction, the ZSM-5@Ru–Al 2 O 3 showed a high unit activity up to 0.1253%·ml·mg −1 ·min −1 , low-carbon deposition rate, and the enhanced first-cycle carbon removal rate of 78.3% for recyclable use. Density functional theory (DFT) calculations have further confirmed that high catalytic efficiency and low-carbon deposition benefit from the timely adsorption of C 12 H 26 and timely transfer of reactant products at the composite interface. This work opens interesting possibilities for the rational design and fabrication of high-efficient, anti-coking, and recyclable hydrocarbon cracking catalysts through multifunctional structural regulations.

CAS / MDL: 4499-86-9
研究领域: 催化化学 · 材料科学 · 能源工程
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FUEL PROCESSING TECHNOLOGY · 2016 · IF 3.847

The application of a modified dissolving model to the separation of major components in low-temperature coal tar

Yong-gang Wang,Guang-ce Jiang,Sheng-juan Zhang,Hai-yong Zhang,Xiong-chao Lin,Xin Huang,Mao-hong Fan

The selectivity of organic solvent extraction for separating non-aromatic hydrocarbons, aromatic hydrocarbons and polar components in low-temperature coal tar was enhanced by applying the Hansen Solubility Parameters theory. The relationship between solubility parameter “distance” ( R a ) and solubility was obtained by turbidimetric titration, thus allowing an approximate comparison of dissolving properties between different solvents and the typical model compound (solute). A modified dissolving model in terms of the Hansen solubility sphere was established in order to select the extraction solvent. In practice, the low-temperature coal tar was successfully divided into three parts (i.e., enriching non-aromatic hydrocarbons, aromatic hydrocarbons and polar components) by a three-step extraction-precipitation process at 298   K and 1   atm. Experimental results demonstrated a high correlation with the estimation made by the ellipsoidal model. The mass percentage of non-aromatic hydrocarbons, aromatic hydrocarbons and polar components in their separation products were all ca. 90   wt.%. The mass percentages of the three products in total feedstock were around 12%, 46% and 36%, respectively. The mass loss during the entire separation process was from 4.5% to 6.0%.

研究领域: 能源化学 · 煤化工 · 分离科学 · 物理化学 · 应用化学 · 材料化学 · 过程工程
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Nature Communications · 2025 ·Vol. 16 ·期 1 ·1-12 · IF 15.7

Integrating photochemical and photothermal effects for selective oxidative coupling of methane into C2+ hydrocarbons with multiple active sites

Song Hui,Sun Kai,Huang Hengming,Ning Shangbo,Wang Shengyao,Wang Zhuan,Weng Yuxiang,Cui Yi,Li Yifan,Wang Xu-sheng,Wang Defa,Liu Lequan,Wang Zhou-jun,Ye Jinhua

The direct photocatalytic oxidation of methane to value-added chemicals has garnered considerable interest in recent years. However, achieving high productivity while maintaining high selectivity at an appreciable methane conversion rate remains a formidable challenge. Here, we present photochemically-triggered and photothermally-enhanced oxidative coupling of methane to multi-carbon C 2+ alkanes over an Au and CeO 2 nanoparticle-decorated ZnO photocatalyst, which exhibits a record-breaking C 2+ production rate of 17,260 μmol g −1 h −1 with ~90% C 2+ selectivity under wide-spectrum light irradiation without a secondary source of heating. Comprehensive characterizations and computational studies reveal that CH 4 activation is a photochemical reaction initiated by ultraviolet light-excited ZnO, and the introduction of CeO 2 substantially enhances the activation of CH 4 and O 2 due to the cooperative interaction between Au and CeO 2 . Concurrently, Au nanoparticles capture visible and near-infrared light to generate localized heating, which greatly promotes the subsequent desorption of produced methyl radical for C–C coupling prior to undergoing further undesired overoxidation.

研究领域: 化学工程 · 材料科学 · 环境科学
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ENERGY CONVERSION AND MANAGEMENT · 2024 · IF 9.9

Integrating photoenzymatic decarboxylation and anaerobic digestion to convert food waste into hydrocarbon: Performance and process intensification

Xiaobo Guo,Ao Xia,Feng Li,Yun Huang,Xianqing Zhu,Wuyuan Zhang,Xun Zhu,Qiang Liao

The integration of photoenzymatic decarboxylation and anaerobic digestion (AD) to convert food waste into hydrocarbon was conducted for the first time. The performance of fatty acid photodecarboxylase from Chlorella variabilis NC64A ( Cv FAP) was optimized in a biphasic system with petroleum ether as the oil phase; conversion of palmitic acid reached 42.2 % in 1 h, which was 26.4 times that in the single-phase catalysis. This biphasic system was further employed to convert the lipase hydrolysate of waste oil from food waste into hydrocarbon, where the production rate of C17 hydrocarbon was 1.7 mM/h. Meanwhile, the non-oil components from food waste were used in AD to generate C1 hydrocarbon methane. Adding magnetite increased the specific methane yield up to 154.0 % compared to the control group on day 22. The average hydrocarbon generation rate and energy production rate in photoenzymatic decarboxylation were 24.3 and 269 times those in AD, respectively.

研究领域: 环境生物学 · 生物化学
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CHEMICAL ENGINEERING JOURNAL · 2015 · IF 4.321

Impacts of hydrogen to carbon ratio (H/C) on fundamental properties and supercritical cracking performance of hydrocarbon fuels

Lei Yue,Guangqian Li,Guijin He,Yongsheng Guo,Li Xu,Wenjun Fang

The precise investigations on modeling properties and performance of practical fuels are usually complicated because of the multi-component nature. On the basis of hydrogen to carbon ratio (H/C), as a simple and overall characterization parameter for hydrocarbon fuels, this work provides a comprehensive insight into the study of kerosene-based hydrocarbon fuels (H/C   =   1.6–2.3). The fundamental properties and supercritical cracking performance of hydrocarbon fuels are influenced intrinsically by their H/C values and molecular weights ( M ) due to the compositional and structural effects. Thus, a new combined parameter, (H/C)/ M a , is proposed to model the performance of hydrocarbon fuels. It is found that the hydrocarbon fuel with a higher H/C has a higher net heating value, and that with a higher (H/C)/ M 0.1 has a lower density. The viscosity decreases with the increase of (H/C)/ M 0.5 . The flash point shows a decreasing trend against the increase of (H/C)/ M 2 . The densities, viscosities and net heating values of 23 hydrocarbon fuels are calculated by means of the regression equations with the H/C and M data, and they are in agreement with the corresponding experimental values with the relative errors less than 2.5%, 10% and 1.5%, respectively. As investigated in an electrically heated tube reactor, the hydrocarbon fuel with a higher H/C performs thermal cracking more easily, absorb more heat and form fewer cokes. As a result, the cracking performance of hydrocarbon fuels can be predicted reasonably to a certain extent on the basis of H/C values.

研究领域: 能源科学 · 化学工程
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JOURNAL OF PETROLEUM SCIENCE AND ENGINEERING · 2022 · IF 5.168

Nondestructive investigation on hydrocarbons occluded in asphaltene matrix: The evidence from the dispersive solid-phase extraction

Peng Fang,Jia Wu,Botian Li,Bin Cheng,Daofu Song,Ningning Zhong

Asphaltenes are the heaviest compound group in crude oil. The complex and porous macromolecular network of asphaltenes both adsorbs and occludes small hydrocarbon molecules, which are considered source-related petroleum biomarkers as they are shielded from secondary alterations. The current method to isolate the occluded content involves mild oxidative degradation of asphaltenes with CH 3 COOH/H 2 O 2 , but it is generally not suitable for quantitative studies, as side reactions that chemically alter the bound hydrocarbons are difficult to mitigate. In the current study, we compared the performance of dispersive solid-phase extraction (DSPE) and mild oxidative degradation in isolating asphaltene-occluded hydrocarbons, using Lower Cambrian solid bitumen from northwestern Sichuan and Ordovician crude oil from the Tazhong area of Xinjiang, China. We demonstrated that DSPE was effective in extracting occluded hydrocarbons from asphaltene aggregates without undesirable chemical alterations, thereby allowing subsequent quantitative analysis. Further investigations revealed that the chemical composition of the occluded n -alkanes provided useful information with regard to the origin of the petroleum. Importantly, the enrichment of aromatic hydrocarbons inside the asphaltene aggregates, particularly the relative abundance of different methylphenanthrene isomers, provided crucial experimental evidence in support of our earlier hypothesis that the occluded hydrocarbons were protected from secondary alterations, and therefore had remained relatively stable over a long geologic period.

CAS / MDL: 112926-00-8
研究领域: 石油化学 · 地球化学
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CHEMICAL ENGINEERING JOURNAL · 2024 · IF 13.3

Comparison of microwave and conventional pyrolysis of one-step prepared metal soaps (Li/Na/K/Ca/Mg): Product distribution and heating characteristics

Yuan Zeng,Yuanyuan Wang,Linyao Ke,Qiuhao Wu,Xiaojie Tian,Liangliang Fan,Kirk Cobb,Yuhuan Liu,Roger Ruan,Yunpu Wang

The pyrolysis of metal soaps to produce hydrocarbon rich fuel has been studied extensively. However, the combined effects of microwave radiation and metal ion types on hydrocarbon production have not been addressed. In this study, the microwave and conventional pyrolysis experiments were conducted on five metal soaps (Li soap, Na soap, K soap, Ca soap, Mg soap). The results demonstrated that the metal ions at the carboxyl end of the soap enhanced the polarity of the reactants, leading to a rapid increase in temperature under microwave conditions. With the ion radius increasing, the heating rate increased gradually. Compared with conventional pyrolysis, microwave pyrolysis exhibited a more rapid heating rate, a higher degree of carbon chain fracture, and a greater abundance of small olefin compounds, which promoted aromatization reaction and the release of CO, H 2 and CH 4 . In addition, the composition of the pyrolysis products derived from different metal soaps is affected by the characteristics of metal ions. As the radius of metal ions increased, the oxygen content in the liquid products decreased gradually, while the carbon content increased. The strengthening effect of microwave was further analyzed. With the increase in the radius of metal ions, the strengthening effect of microwaves on olefins formation was gradually weakened, while the inhibiting effect on alkanes formation was gradually enhanced. The structure of carboxylate network is affected by the radius of metal ions, which results in the regular change of the strengthening effect of microwave on olefins and other products. This study is highly significant in guiding the pyrolysis of soapstock waste to prepare olefins and alkanes with high efficiency and low energy consumption.

研究领域: 能源化学 · 材料科学
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Journal of Environmental Chemical Engineering · 2025 · IF 7.2

Selective Oxidation of Hydrocarbon with NHPI/Facet-Mediated α-Fe2O3 under the Visible-light at Ambient Temperature

Yuxi Li,Zhuwei Zhu,Ximai Zhang,Fengkuan Ma,Qiaohong Zhang,Chen Chen,Hongying Lü

Selective oxidation of hydrocarbon under mild conditions is one of scientific challenges. In the present work, facet effect was utilized to design an efficient catalytic system of N -hydroxyphthalimide (NHPI) and specific α-Fe 2 O 3 with different preferential crystal facets. Higher ratio of crystalline facet {110}/{104} was identified as a key factor to facilitate the interaction between NHPI molecules and surface of α-Fe 2 O 3 , then realize a higher catalytic activity. Being photo-irradiated with the blue light (455   nm, 3   W) at ambient temperature for 4   h, conversion of 92.2% was obtained for the selective oxidation of ethylbenzene with α-Fe 2 O 3 -T100 that owns more preferential crystalline facets {110}, which is about 1.8 times as high as that (51.0%) being obtained with commercial C-α-Fe 2 O 3 -{104}. The present efficient catalytic system also exhibited good universality for the selective oxidation of a series of other hydrocarbons.

CAS / MDL: 1309-37-1 524-38-9
研究领域: 催化 · 材料科学 · 化学反应工程 · 物理化学
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ACS Catalysis · 2019 · IF 12.221

Role of Acetaldehyde in the Roadmap from Initial Carbon–Carbon Bonds to Hydrocarbons during Methanol Conversion

Liu Yang,Tingting Yan,Chuanming Wang,Weili Dai,Guangjun Wu,Michael Hunger,Weibin Fan,Zaiku Xie,Naijia Guan,Landong Li

The formation of the initial carbon–carbon (C–C) bonds in the methanol-to-hydrocarbon (MTH) conversion on acidic zeolite has been hotly debated for decades. Recently, the formation of surface-bound acetyl groups involving C–C bonds during the initial period of the MTH conversion has been disclosed. Understanding the exact C–C bond-containing intermediates triggering the MTH conversion and the critical roadmap of the MTH conversion is essential for the further development of this important reaction. Herein, acetaldehyde from the hydrogenation of surface-bound acetyl species was identified to be responsible for triggering the MTH conversion on H-ZSM-5 zeolite. By combining kinetic studies, spectroscopic analyses, and theoretical calculations, the mechanism and roadmap of zeolite-catalyzed MTH conversion from the initial C–C bonds to the hydrocarbon pool compounds were clearly depicted.

CAS / MDL: 75-07-0 79-20-9
研究领域: 化学工程 · 催化科学
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