Fischer-Tropsch Synthesis Reaction Research Articles

Mass transfer enhancement and drying mechanism of high adhesion saturated impregnated Co-Al2O3 monolithic catalyst

The drying process significantly influences the dispersion of metals, physical properties, and performance of monolithic catalysts. In this research, a cordierite-based monolithic catalyst with Co/γ-Al2O3 was prepared using the slurry and impregnation method. The impact of ambient humidity on metal dispersion, mass transfer performance, and catalytic performance was investigated. The findings revealed distinct crystallization-deliquescence curves in the saturated impregnated monolithic catalysts, with alternating crystallization and deliquescence phenomena occurring as the ambient humidity changed. When the coating adhesion was high, the simultaneous occurrence of internal crystallization and surface dissolution resulted in concentrated internal stress, which facilitated the micro-stripping of the coating, leading to the formation of a cobweb-like microstructure. This process affected the distribution of pore sizes and enhanced mass transfer performance. The Co-based catalysts prepared in this study demonstrated a high selectivity for C5+ products (73.93%) when employed in the Fischer-Tropsch synthesis reaction. This research offers an optimization strategy for catalyst preparation, aiming to develop monolithic catalysts with low melting points, high crystallinity, and supersaturated supported transition metals.

Proximity Effect of Fe–Zn Bimetallic Catalysts on CO2 Hydrogenation Performance

The interaction between a promoter and an active metal crucially impacts catalytic performance. Nowadays, the influence of promoter contents and species has been intensively considered. In this study, we investigate the effect of the iron (Fe)–zinc (Zn) proximity of Fe–Zn bimetallic catalysts on CO2 hydrogenation performance. To eliminate the size effect, Fe2O3 and ZnO nanoparticles with uniform size are first prepared by the thermal decomposition method. By changing the loading sequence or mixing method, a series of Fe–Zn bimetallic catalysts with different Fe–Zn distances are obtained. Combined with a series of characterization techniques and catalytic performances, Fe–Zn bimetallic proximity for compositions of Fe species is discussed. Furthermore, we observe that a smaller Fe–Zn distance inhibits the reduction and carburization of the Fe species and facilitates the oxidation of carbides. Appropriate proximity of Fe and Zn (i.e., Fe1Zn1-imp and Fe1Zn1-mix samples) results in a suitable ratio of the Fe5C2 and Fe3O4 phases, simultaneously promoting the reverse water–gas shift and Fischer–Tropsch synthesis reactions. This study provides insight into the proximity effect of bimetallic catalysts on CO2 hydrogenation performance.Graphical

Tailoring Carbon Deposits on a Single-Crystal Cobalt Catalyst for Fischer–Tropsch Synthesis without Further Reduction: The Role of Surface Carbon and Penetrating Carbon

The preparation of Fischer–Tropsch synthesis (FTS) catalysts that exhibit excellent catalytic performance and are suitable for direct use in a fixed-bed reactor without further reduction is crucial in industrial applications. However, only marginal progress has been made with respect to the preparation of cobalt-based FTS catalysts owing to tendency of metallic cobalt to oxidize easily; this tendency necessitates the activation of these catalysts via reduction despite having undergone reduction treatment during their preparation. Herein, this problem has been addressed by tuning the carbon deposits (surface C and penetrating C) on the surface of a single-crystal cobalt catalyst. Screen-like surface C on a catalyst pretreated with 5% CO (p-Co–CO) exhibits diffusion suppression and chemical inertness to oxidizing gas, thus preventing the oxidation of metallic cobalt and resulting simultaneously in high activity and low CH4 selectivity (7.2%) without requiring further reduction. Moreover, the exact role of surface C and penetrating C deposited on cobalt catalysts in the FTS performance is explored. Both surface C and penetrating C enhance the activity of the cobalt catalyst but with opposite effects on the FTS selectivity. Surface C improves the adsorption ability of bridged-type CO and the formation of long-chain hydrocarbons, whereas penetrating C is conducive to adsorbing linear CO and increases undesired CH4 selectivity. This study clarifies the effect of deposited carbon on the FTS reaction and provides insights into the design of high-performance nonconventional FTS catalysts that do not require further reduction.

Adsorption and activation of CO on perfect and defective h-Fe7C3 surfaces for Fischer-Tropsch synthesis

As a structure-sensitive reaction, one important issue in Fischer–Tropsch synthesis (FTS) reaction is to clarify the relationship between the iron catalyst composition and its effects on activity and selectivity. In this work, the adsorption and activation of CO on both perfect and defective h-Fe7C3 surfaces were investigated theoretically. The results indicate that the direct CO dissociation pathway is preferred with the effective energy barriers less than 1.50 eV on both perfect (101) and (11¯1) surfaces, which play a dominant role in FTS reaction. Instead, the effective energy barriers of the preferred HCO pathway on the perfect (11¯1¯) and (11¯0) surfaces are higher than 2.40 eV. When defects occur on the surfaces, CO is inclined to adsorb on resemble B5 site and direct CO bond dissociation with barriers around 0.8 eV is more favorable than hydrogenation routes for all the four defective surfaces. Thus it can be concluded that the presence of B5-like site can facilitate to form a multiple coordinated state and lead to a stretched CO bond. Specifically, we have theoretically revealed that on B5-like site, the stronger interaction between CO and h-Fe7C3 surface with more electrons transformation, the higher activation of CO bond facilitated to CO direct dissociation.

Theoretically Predicted CO Adsorption and Activation on the Co-Doped hcp-Fe7C3 Catalyst

The Hcp-Fe7C3 phase has attracted more attention due to the high catalytic activity in Fischer–Tropsch synthesis (FTS) reactions. In this work, the adsorption and activation of CO on a Co-doped hcp-Fe7C3 catalyst were investigated by density functional theory (DFT) in order to understand the effect of Co doping on the initial step of FTS reactions on iron-based catalysts. Different Co-doped hcp-Fe7C3 001 and 11¯0 surfaces were constructed, and the CO adsorption configurations were studied. The calculated results show that the structure of the 001 surface remains basically unchanged after doping with Co atoms, while the replacement of Fe or C atoms on 11¯0 surfaces with Co atoms has a significant impact on the surface structure. The top sites on the doped Co atoms of hcp-Fe7C3 are disadvantages for the CO adsorption, whereas the T, 2F, or 3F sites around the doped Co atoms are beneficial for promoting the adsorption of CO. The CO direct dissociation pathways on the four types of Co-doped hcp-Fe7C3 001 surfaces are exothermic, while the H-assisted dissociation pathways of CO are endothermic. The H-assisted activation via HCO on the 3F1 site of the 2Co2-doped hcp-Fe7C3 001 surface shows the lowest energy barrier of 1.96 eV. For the Co-doped hcp-Fe7C3 11¯0 surfaces, the H-assisted activation via HCO is the preferred activation pathway for CO on the Co-doped surfaces with the energy barrier of approximately 1.30 eV.

Investigation of Mn and Ca promoter effects in iron-based catalysts: CO hydrogenation reaction

Cu–Fe catalysts incorporated with different amounts of Ca and Mn promoters were prepared using a wet-impregnation method and applied in the Fischer–Tropsch synthesis reaction.

Study of the process of obtaining hydrocarbons on the basis of synthesis gas and the fischer-tropsch synthesis reaction

The Fischer–Tropsch process is a collection of chemical reactions that converts a mixture of carbon monoxide and hydrogen, known as syngas, into liquid hydrocarbons. These reactions occur in the presence of metal catalysts, typically at temperatures of 150–300°C (302–572°F) and pressures of one to several tens of atmospheres. The Fischer–Tropsch process is an important reaction in both coal liquefaction and gas to liquids technology for producing liquid hydrocarbons. In the usual implementation, carbon monoxide and hydrogen, the feedstocks for FT, are produced from coal, natural gas, or biomass in a process known as gasification. The process then converts these gases into synthetic lubrication oil and synthetic fuel. This process has received intermittent attention as a source of low-sulfur diesel fuel and to address the supply or cost of petroleum-derived hydrocarbons. Fischer-Tropsch process is discussed as a step of producing carbon-neutral liquid hydrocarbon fuels from CO2 and hydrogen. The article is devoted to the use of synthesis gas as an alternative petroleum raw material for obtaining artificial liquid fuels, hydrocarbons (Fisher-Tropsch synthesis) and aldehydes (hydroformylation or oxo-synthesis). The mechanisms of the considered reactions are discussed.

Hydrogenation of CO2 to Olefins over Iron-Based Catalysts: A Review

The widespread use of fossil fuels has caused high CO2 concentrations in the atmosphere, which have had a great impact on climate and the environment. Methods for efficiently utilizing CO2 to produce high value-added chemicals have received increasing attention. Among the products of CO2 hydrogenation, olefins, an important petrochemical feedstock, are one of the essential target products. Therefore, CO2 hydrogenation to olefins has been extensively studied, especially for the development of high-performance catalysts. Iron-based catalysts, which are widely used in Fischer–Tropsch synthesis reactions, have also been considered attractive for use in the CO2 hydrogenation to olefins due to their excellent performance in catalytic activity and reaction stability. Most studies have focused on the modulation of morphology; reduction and adsorption properties by tuning the methods of catalyst syntheses; pretreatment conditions and the composition of catalysts, in order to improve hydrogenation activity and olefin yield. In this review, we briefly discuss a thermodynamic overview of the CO2 hydrogenation to olefins reaction, the optimization of catalyst modifications, and current insights into the reaction mechanism; moreover, we summarize current challenges and future trends in the CO2 hydrogenation to olefins.

A hybrid modeling framework for efficient development of Fischer-Tropsch kinetic models

Fischer-Tropsch synthesis (FTS) receives an extensive attention as it can be used to produce various chemicals and fuels, such as linear alpha olefin, gasoline and jet fuel, in a sustainable way. While a kinetic model can help optimize the operating conditions of FTS reactors for a specific product portfolio, such a model is very challenging to develop due to the large number of species and reactions involved in FTS. To this end, in this work, we propose a hybrid modeling framework to efficiently build a kinetic model for FTS. Specifically, experiments are conducted using a Fe-Cu-K-SiO2 catalyst with the following operating variables: pressure, temperature, H2/CO ratio in syngas, and gas hourly space velocity. Then, using the experimental data, the effectiveness of the proposed framework is illustrated, which consists of three key components. The overall LHHW model is first used to predict the overall consumption rates of CO and H2 as well as the production rates of CO2 and overall hydrocarbons. Then, a convex piecewise linear fitting problem is formulated for the ASF distribution model, which can identify the break points (where the value of chain growth probability α changes) with global optimality. Finally, surrogate modeling is performed to obtain the models describing the changes in the optimal α values with respect to the operating conditions. The final model showed the overall relative error of 9.98% for CO, CO2 and H2, and 15.8% for hydrocarbons, which are comparable to the values reported in the literature.

A perspective on the activation energy dependence of the Fischer-Tropsch synthesis reaction mechanism

The conversion of syngas to hydrocarbons is achieved through different mechanisms based on the type of perceived monomer and chain initiator, with preference given to two key mechanisms in the explanation of the conversion process. Concerted efforts at explaining the Fischer-Tropsch Synthesis (FTS) mechanism remain unresolved. By graphing the energy of a reaction using the Arrhenius equation, changes occurring in a reaction for temperature variation can produce valuable information on the reaction. This work uses the activation energy (Ea) deduced from the Arrhenius equation to determine the coexistence nature of the different mechanisms for the FTS reaction. The work shows the reaction mechanisms are not competing, but rather complement one another during FTS reaction to yield different products.

Theoretical study of CO adsorption and activation on h-Fe7C3[formula omitted] for Fischer-Tropsch synthesis

The h-Fe7C3 phase of iron carbide catalysts have been gained wide attentions for the impressive intrinsic activity in typical medium-temperature Fischer-Tropsch synthesis (FTS). In this study, the adsorption and activation of CO on h-Fe7C3(11¯1) surface were studied by density functional theory (DFT) calculations to understand the FTS mechanism. Calculated results showed that the B5 site on h-Fe7C3(11¯1) surface demonstrates excellent intrinsic activity for CO adsorption and activation. The route CO+H—HCO—CH+O—CH2+O is identified as a preferred CO activation pathway on the B5 site for h-Fe7C3(11¯1) surface with the effective energy barrier of 1.380 eV. Furthermore, the FTS reaction mechanism with the surface carbon atoms involved was explored preliminarily, which confirms that the surface carbons can undergo hydrogenation reaction to produce the CH species feasibly, and meanwhile, the carbon vacant sites are generated. Subsequently, the influences of carbon vacancy on the CO adsorption and activation on (11¯1) were studied. It was observed that the vacancy surface is more conducive to the elementary reactions of CO adsorbed on the B5 site. In particular, CO can be easily dissociated on the VC2 surface with energy barrier of 0.77 eV.

Oxidation treatment of carbon aerogels supports to modulate Ru/CA catalysts for Fischer-Tropsch synthesis

Oxidation treated carbon materials for exploiting highly efficient and stable loaded catalysts have been proven to be valid. In this work, the surfaces of carbon aerogels (CA) were functionalized with different oxidizing agents, i.e., H2O2 and HNO3. A series of Ru-supported catalysts on carbon aerogels (CA) with/without functionalized were prepared by the impregnation strategy. The impact of oxidation treatment on the texture features of carbon aerogels, the types and contents of formed surface oxygen-containing functional groups, the metal-support interactions and the Fischer-Tropsch synthesis reaction performances of the catalysts were systematically investigated. Our results showed that Ru/CA catalyst without oxidation treatment displayed the highest initial activity but the poor stability, while the Ru/CA-H2O2 catalyst exhibited excellent activity and C5+ selectivity. The oxidation treatment increased the carbon aerogels defects, thereby broadening the specific surface area. The increased content of oxygen-containing functional groups on the surface enhanced the interaction between the support and Ru nanoparticles and improved the stability of the catalyst. Nevertheless, the excessive oxygen-containing functional groups on the surface decreased the activity and the C5+ selectivity of carbon aerogels-loaded Ru catalysts.

Enhancing the synergism of Fe3O4 and Fe5C2 to improve the process of CO2 hydrogenation to olefines

CO2 hydrogenation to olefines is a feasible carbon capture and utilization (CCU) route. The process includes sequential reactions of reverse water gas shift (RWGS) reaction and Fischer-Tropsch synthesis (FTS) reaction. The acceleration of FTS is crucial to improve the olefines yield. A microemulsion anti-solvent extraction (MAE) method was proposed to prepare Fe-based catalyst on the support of Al2O3. Ethanol solution of Fe(NO3)3 was encapsulated in microdroplets, and then loaded on Al2O3 by the extraction of ethanol from the microdroplets to isooctane phase. The average size of micro droplets was 7.5 nm. After calcination, the particle size of Fe2O3 was 6 nm. After carburization with CO, the interface formed between Fe3O4 and Fe5C2 was restricted in a narrow space with a mean size of 12 nm. Through TEM-Mapping, XRD, XPS and TPC characterization, the distribution uniformity of Fe and the neighboring degree of Fe3O4 and Fe5C2 on the as-prepared catalyst MAE-Fe1K1 was improved effectively. An enhanced synergistic effect between Fe3O4 and Fe5C2 was obtained. The catalytic performance evaluation results showed that yield of C2-C4 olefins reached 0.063 mmol·gFe−1·s−1 after 12 h of reaction. It exhibited better catalytic performance than most catalysts reported in the literatures. The results showed that the proposed microemulsion anti-solvent extraction strategy is an effective method to prepare Fe-based catalyst for CO2-FTO reaction with an excellent catalytic performance.

Effects of Potassium Loading over Iron–Silica Interaction, Phase Evolution and Catalytic Behavior of Precipitated Iron-Based Catalysts for Fischer-Tropsch Synthesis

Potassium (K) promoter and its loading contents were shown to have remarkable effects on the Fe–O–Si interaction of precipitated Fe/Cu/K/SiO2 catalysts for low-temperature Fischer-Tropsch synthesis (FTS). With the increase in K content from 2.3% (100 g Fe based) up to 7% in the calcined precursors, Fe–O–Si interaction was weakened, as reflected by ATR/FTIR, H2-TPR and XPS investigations. XRD results confirmed that the diffraction peak intensity from (510) facet of χ-Fe5C2 phase strengthened with increasing K loading, which indicates the crystallite size of χ-Fe5C2 increased with the increase in K contents either during the syngas reduction/carburization procedure or after FTS reaction. H2-TPH results indicated that more reactive surface carbon (alpha-carbon) was obtained over the higher K samples pre-carburized by syngas. Raman spectra illustrated that a greater proportion of graphitic carbon was accumulated over the surface of spent samples with higher K loading. At the same time, ATR-FTIR, XRD and Mössbauer spectra (MES) characterization results showed that a relatively higher level of bulk phase Fayalite (Fe2SiO4) species was observed discernibly in the lowest K loading sample (2.3 K%) in this work. The catalytic evaluation results showed that the CO conversion, CO2 selectivity and O/P (C2–C4) ratio increased progressively with the increasing K loading, whereas a monotonic decline in both CO conversion and O/P (C2–C4) ratio was observed on the highest K loading sample during c.a. 280 h of TOS.

A high active sites exposed hollow Co@SiO2 nanoreactor for high performance fischer–tropsch synthesis

Optimizing catalyst geometry to break current limitations of Fischer-Tropsch synthesis (FTS) activity and the selectivity of long-chain hydrocarbons is a promising and challenging subject. Herein, a hollow Co@SiO2 catalyst with high dispersion of cobalt species anchored inside mesoporous hollow silica shell was successfully synthesized with the help of Co-metal organic framework materials, which displayed a surprisingly high C5+ hydrocarbons selectivity of 93.3% with a low methane selectivity of 3.4% at a remarkable high activity (CTY = 5.1 × 10-5 molCO gCo-1 s−1). The catalyst remained excellent stability for 200 h under industrially relevant conditions. The hollow core–shell structure provided an internal cavity environment that shortened the diffusion distance and contact area between Co metal and support, and improved exposed active cobalt sites and residence time of intermediates, inducing the growth of the catalytic activity and long-chain hydrocarbons selectivity. Protection of silica shell prevented the aggregation of active cobalt nanoparticles, further promoting the catalyst stability. This work provides a new insight into the design of high efficient and stable catalysts for FTS reaction.

Selective Conversion of Syngas to Olefins via Novel Cu-Promoted Fe/RGO and Fe-Mn/RGO Fischer-Tropsch Catalysts: Fixed-Bed Reactor vs Slurry-Bed Reactor.

Fischer–Tropsch has become an indispensable choice in the gas-to-liquid conversion reactions to produce a wide range of petrochemicals using recently emerging biomass or other types of feedstock such as coal or natural gas. Herein we report the incorporation of novel Cu nanoparticles with two Fischer–Tropsch synthesis (FTS) catalytic systems, Fe/reduced graphene oxide (rGO) and Fe–Mn/rGO, to evaluate their FTS performance and olefin productivity in two types of reactors: slurry-bed reactor (SBR) and fixed-bed reactor (FBR). Four catalysts were compared and investigated, namely Fe, FeCu7, FeMn10Cu7, and FeMn16, which were highly dispersed over reduced graphene oxide nanosheets. The catalysts were first characterized by transmission electron microscopy (TEM), nitrogen physisorption, X-ray fluorescence (XRF), X-ray diffraction (XRD), and H-TPR techniques. In the SBR, Cu enhanced olefinity only when used alone in FeCu7 without Mn promotion. When used with Mn, the olefin yield was not changed, but light olefins decreased slightly at the expense of heavier olefins. In the FBR system, Cu as a reduction promoter improved the catalyst activity. It increased the olefin yield mainly due to increased activity, even if the CO2 decreased by the action of Cu promoters. The olefinity of the product was improved by Cu promotion but it did not exceed the landmark made by FeMn16 at 320 °C. The paraffinity was also enhanced by Cu promotion especially in the presence of Mn, indicating a strong synergistic effect. Cu was found to be better than Mn in enhancing the paraffin yield, while Mn is a better olefin yield enhancer. Finally, Cu promotion was found to enhance the selectivity towards light olefins C2–4. This study gives a deep insight into the effect of different highly dispersed FTS catalyst systems on the olefin hydrocarbon productivity and selectivity in two major types of FTS reactors.

Effect of potassium on GO-modified large Fe3O4 microspheres for the production of α-olefins

Despite that iron-based catalysts are preferred for the high selectivity to value-added α-olefins via Fischer-Tropsch synthesis (FTS) reaction, the carbon deposition leads to deactivate catalyst more readily and CO2 selectivity as high as ~50% leads to low carbon efficiency. Herein, we developed an innovative approach to fabricate iron-based catalysts to deal with this issue. In detail, prepare Fe3O4 microsphere with an average particle size of ~580 nm via hydrothermal method and mix it with GO. The GO modification could effectively inhibit the sintering and coking of the large Fe3O4 microspheres (580 nm) by assisting its evolution into much smaller iron carbide nanocapsules (~9.1 nm). And the obtained catalyst exhibited excellent reaction activity, stability and high α-olefin selectivity. The addition of K into Fe3O4 microsphere produces major ɛ’-Fe2.2C about 58.9% in the evolution process and facilitates lower CO2 emission obviously.

Chain Propagation Mechanism of Fischer–Tropsch Synthesis: Experimental Evidence by Aldehyde, Alcohol and Alkene Addition

Fischer–Tropsch synthesis (FTS) produces hundreds of hydrocarbons and oxygenates by simple reactants (CO + H2) and the detailed chain propagation mechanism is still in dispute. An industrial iron-based catalyst was used to further clarify the mechanism by adding aldehyde, alcohol and alkene species into a fixed-bed tubular reactor. The added species were investigated in H2 and syngas atmospheres, respectively. 1-alkene in the H2 atmosphere presented an obvious hydrogenolysis, in which the produced C1 species participated in C–C bond formation simultaneously. Co-feeding Cn alkene with syngas showed remarkable Cn+1 alcohol selectivity compared to the normal FTS reaction. In addition, the carbonyl group of aldehyde was extremely unstable over the iron-based catalyst and could easily be hydrogenated to an alcohol hydroxyl group, which could even undergo dehydration for hydrocarbon species formation. Experimental data confirmed that both heavier alkenes and alcohols added can be converted to chain growth intermediates and then undergo monomer insertion for chain propagation. These results provide strong evidence that the chain propagation in the FTS reaction is simultaneously controlled by the surface carbide mechanism and the CO insertion mechanism, with surface CHx species and CO as monomers, respectively. The study is of guiding significance for FTS mechanism understanding and kinetic modeling.

A novel integrated system for sustainable generation of hydrogen and liquid hydrocarbon fuels using the five-step ZnSI thermochemical cycle, biogas upgrading process, and solar collectors

The utilization of renewable energy sources such as solar energy and biogas have recently received more attention due to a decline in fossil energy sources and environmental issues. A leading method for long-term renewable energies sources storage is to convert to fuels such as hydrogen and heavy value hydrocarbons. In this work, a novel integrated structure is developed for sustainable cogeneration of hydrogen and heavy liquid hydrocarbon fuels. This integrated structure consists of the zinc-sulfur-iodine thermochemical cycle, biogas treatment cycle, Fischer–Tropsch synthesis reactions, a carbon dioxide power generation, and solar dish collectors. It is demonstrated that this integrated structure produces 359.8 kmol/h hydrogen, 116.8 kmol/h liquid fuels, 1714 kmol/h carbon monoxide, and 289,149 kmol/h hot water. The thermal energy and exergy efficiencies of the integrated structure are 58.03% and 44.34%, respectively. The exergy analysis illustrates that exergy destruction mostly occurs in heat exchangers (36.67%), reactors (24.69%), and collectors (20.25%). The sensitivity analysis demonstrates that the absorbed useful energy and solar collector thermal efficiency decrease up to 9.735 kW and 0.7751, respectively when the average operating wall temperature in each solar collector increases from 627 °C to 1127 °C. The thermal efficiency and productivity of the liquid fuels increase up to 0.63 and 383.6 kmol/h, respectively with increase of carbon dioxide composition in the biogas from 40 mol% to 55 mol%.

Catalytic Hydrogenation of Post-Mature Hydrocarbon Source Rocks Under Deep-Derived Fluids: An Example of Early Cambrian Yurtus Formation, Tarim Basin, NW China

As a link between the internal and external basin, the deep derived fluids play a key role during the processes of hydrocarbon (HC) formation and accumulation in the form of organic-inorganic interaction. Two questions remain to be answered: How do deep-derived fluids affect HC generation in source rocks by carrying a large amount of matter and energy, especially in post-mature source rocks with weak HC generation capability? Can hydrogen and catalysts from deep sources significantly increase the HC generation potential of the source rock? In this study, we selected the post-mature kerogen samples of the early Cambrian Yurtus Formation in the Tarim Basin of China. Under the catalytic environment of ZnCl2 and MoS2, closed system gold tube thermal simulation experiments were conducted to quantitatively verify the contribution of catalytic hydrogenation to "HC promotion" by adding H2. The catalytic hydrogenation increased the kerogen HC generation capacity by 1.4–2.1 times. The catalytic hydrogenation intensity reaction increased with temperature. The drying coefficient of the generated gas decreased significantly as the increasing yield of heavy HC gas. In the simulation experiment, alkane δ13C becomes lighter after the catalytic hydrogenation experiment, while δ13CCO2 becomes heavier. In the process of catalytic hydrogenation, the number of gaseous products catalyzed by ZnCl2 is higher than that catalyzed by MoS2 under the same conditions, indicating that ZnCl2 is a better catalyst for the generation of gaseous yield. Meanwhile, Fischer-Tropsch synthesis (FFT) reaction was happened in the catalytic hydrogenation process. The simulation experiment demonstrates that hydrogen-rich components and metal elements in deep-derived fluids have significant catalytic hydrogenation effects on organic-rich matter, which improved the HC generation efficiency of post-mature source rocks.