Hydrogenolysis Reactions Research Articles

Elucidating the Reaction Pathways of Veratrylglycero-β-Guaiacyl Ether Degradation over Metal-Free Solid Acid Catalyst with Hydrogen.

Efficient cleavage of β-O-4 bonds in lignin to high-yield aromatic compounds for the potential production of fuels and chemicals is vital for the economics of the modern biorefinery industry. This work is distinct in that a detailed mechanistic analysis of the reaction pathways of veratrylglycero-β-guaiacyl ether (VGE) catalyzed by transition-metal-free solid acid zeolite in aqueous conditions at high hydrogen pressure has been performed. VGE degradation produced high monomers yields (≈87 %), including guaiacol (48.2 %), 1-(3,4-dimethoxyphenyl)ethanol (10.3 %), 1-(3,4-dimethoxyphenyl)-2-propanol (6.1 %), 3,4-dimethoxyphenylpropanol (4.7 %), 3,4-dimethoxycinnamyl alcohol (4.1 %), and 1,2-dimethoxy-4-propylbenzene (2 %). The products were identified and confirmed by the in situ solid-state magic angle spinning (MAS) 13 C NMR spectroscopy in real-time conditions and the two-dimensional gas chromatography (GC×GC). A variety of products reveal the crucial role of hydrogen, water, and acid sites for heterolytic cleavage of the β-O-4 bond in VGE. Decarbonylation, hydrogenolysis, hydrogenation, and dehydration reaction pathways are proposed and further validated using first-principles calculations.

ANALYSIS OF CATALYTIC BEHAVIOR OF RHENIUM PROMOTED PT/TIO2 CATALYST IN ERYTHRITOL HYDROGENOLYSIS

Rhenium modified Pt/TiO2 catalyst has been tested during erythritol (ERY) hydrogenolysis reaction in a slurry reactor. N2 physisorption, temperature programmed reduction and CO chemisorption characterizations were performed. After reduction treatment, Pt species were fully reduced with a dispersion of 26% whereas Re species remained partially oxidized. ERY may convert through four pathways: isomerization, dehydration and C-O or C-C hydrogenolysis. Pt-Re/TiO2 was active and selective to butanetriols and butanediols formation. The influence of temperature (423–498 K) and reactant concentrations (15-35 barH2 and 0.2-0.6 MERY) on catalytic activity and products distribution were evaluated; the activation energy and the reaction orders for each route were estimated. Dehydration pathway displayed the highest activation energy whereas isomerization showed the lowest value. The order to ERY and H2 were 0.23 and 0.97 respectively, for C-O hydrogenolysis route and is consistent with two different mechanisms proposed for the removal of primary or secondary OH group.

Hydrogenolysis of lignin and Lignin-based molecules catalyzed by nickel and Sc(OTf)3

Renewable aromatic carbon sources and their transformation into value-added chemicals represent one of the most promising approaches of sustainable development. Here, we prepared and characterized nickel catalysts and evaluated their activity in transfer hydrogenolysis reactions using formic acid as hydrogen donor, finding excellent activity and high selectivity to CO bond cleavage in lignin and lignin model compounds using water/ethanol or propylene carbonate as solvents. Particularly, a nickel catalyst named Ni-1, was used in the guaiacylglycerol-β-guaiacyl hydrogenolysis to selectively obtain guaiacol and isoeugenol. Thus, in the case of Ni-1 (NiIINx) we found that small clusters and nanoparticles of 3 –5 nm diameters coexist in the material. Further, the Sc(OTf)3 Lewis acid (LA) successfully promoted the CO bond cleavage of 1-(o-tolyloxy)propan-2-ol to obtain guaiacol. Additionally, we describe the synthesis of benzodioxanes catalyzed by scandium triflate from 1-(o-tolyloxy)propan-2-ol as product of the propylene carbonate decarboxylation catalyzed by ZIF-8.

Deactivation and Regeneration of Palladium Catalysts for Hydrogenation Debenzylation of 2,4,6,8,10,12-Hexabenzyl-2,4,6,8,10,12-Hexaazaisowurtzitane (HBIW)

2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (HNIW, also known as CL-20) is an important energetic compound. As one of the representatives of the third generation of energetic materials, it has an excellent performance, providing broad application prospects for the development of new weapons and equipment. The synthesis of CL-20 is usually obtained from 2,4,6,8,10,12-hexabenzyl-2,4,6,8,10,12-hexaazaisowurtzitane (HBIW) through two catalytic hydrogenolysis and debenzylation reactions, followed by nitration. The most critical step is the hydrogenolysis debenzyl-acetylation process of HBIW because this process requires a large amount of expensive palladium-based catalyst, and the catalyst is completely deactivated after one use. In response to this problem, there is no suitable solution at present, resulting in the high cost of the entire synthesis process. Therefore, reducing the production cost of CL-20 by increasing the catalyst stability is one of the current research priorities. By using AAS, XRD, XPS, TEM, BET, TG and other characterization techniques, the reasons for catalyst deactivation were explored. Studies have shown that the main reason for catalyst deactivation is that a large number of blockages accumulate in the pores of the catalyst after the reaction, which greatly weakens the transfer of the reactant HBIW, intermediate substances, and product 2,6,8,12-tetraacetyl-4,10-dibenzyl-2,4,6,8,10,12-hexaazaisowurtzitane (TADBIW) in the catalyst pores, and the blockage may block the active site of the catalyst. A regeneration treatment method for catalyst deactivation was developed. This method uses chloroform and glacial acetic acid as reagents, which, when combined with stirring and ultrasonic operation, finally restores the activity of the Pd(OH)2/C catalyst. The BET and TG parameters of the regenerated catalyst indicate that catalyst textural and structural properties have greatly recovered, indicating that this treatment method can remove the blockages in the catalyst pores.

Catalytic hydrogenolysis over Cu-based oxide derived from hydrotalcite-like structured materials: Reaction condition optimization and artificial neural network modelling

In this study, the catalytic activity of Cu-derived oxide catalysts in glycerol hydrogenolysis was investigated and the effect on the selectivity of 1,2-propanediol (1,2-PDO) with the different Cu/Al molar ratios was observed. The glycerol conversion/1,2-PDO selectivity was found to be dependent on the metallic sites and surface acidity of the Cu-based catalyst. The surface acidity and metallic sites of Cu nanoparticles were significantly improved with the increase of Cu/Al mole fraction in the catalyst. The efficiency of the Cu-derived oxide catalyst was attributed to the well-dispersed Cu and the presence of acidic sites. As expected, the Cu-based oxide catalyst (3CuAl) showed remarkable catalytic performance for 1,2-PDO synthesis with the highest turnover frequency (TOF) from the hydrogenolysis reaction. It is observed that the Cu-derived oxide catalyst is stable and efficient under strident reaction conditions in the presence of water and high temperature (aqueous glycerol solution (20 wt%), 210 °C, 40 bar). Moreover, the reaction conditions for glycerol hydrogenolysis in the presence of active 3CuAl were optimized to maximize the selectivity of 1,2-PDO with TOF. In addition, overcoming the limitation due to the external mass transfer resistance was investigated. The rate of glycerol consumption was subjected to kinetic analysis, which revealed a zero-order relationship on glycerol concentration, indicating that adsorbed glycerol was the most tightly bonded organic adsorbate. Further, the experimental reaction data was validated through the developed artificial neural network (ANN) model.

Utilization of black-liquor by hydrothermal liquefaction

Black liquor (BL) was utilized by acidification and hydrothermal liquefaction (HTL). The acidified BL, lignin-like powder, had its higher heating value (HHV) increased to 23.55 kJ/g. It was hydrothermal liquefied under two atmospheric conditions of H2 and N2. The obtained product was characterized by Fourier-transform infrared spectroscopy (FTIR), Thermogravimetric analysis (TGA), and Gas chromatography-mass spectrometry (GC–MS). The highest biocrude yield (38 wt%) was observed at 300 °C under N2 atmosphere, whereas 41 wt% at 300 °C under H2 atmosphere. The components of the liquid product were classified in the range of C6-C8 with phenolic-rich compounds. The solid product under N2 atmosphere, biochar, contained higher heating values (HHV) from 30 to 33 kJ/g along with a C/H ratio from 15.89 to 23.52, corresponding to good quality coal. The presence of hydrogen led to more remarkable amounts of phenolic compounds than the nitrogen atmosphere. This might be due to the bond cleavage by the hydrogenation and hydrogenolysis reaction under the H2-based condition.

Recent Progress of Hydrogenation and Hydrogenolysis Catalysts Derived from Layered Double Hydroxides

Layered double hydroxides (LDHs), also known as hydrotalcite-like compounds, are widely used in many fields due to their unique structural advantages. Based on LDHs, a wide range of metal catalysts could be synthesized with high metal dispersion, tunable acid-base properties, facile but flexible preparation methods, strong metal-support interaction, and thermal stability. Owing to these outstanding advantages, LDH-derived materials manifest great potential as catalysts, particularly in hydrogenation and hydrogenolysis reactions. More than 200 papers published in the past five years in this field clearly indicated the rapid development of these materials. In this respect, it is imperative and essential to provide a timely review to summarize the current progress and motivate greater research effort on hydrogenation and hydrogenolysis catalysts derived from LDHs. In this review, the applications of LDH-derived materials as heterogeneous catalysts in various hydrogenation and hydrogenolysis reactions were comprehensively discussed. Hydrogenation of unsaturated chemical bonds, hydrodeoxygenation of oxygenated compounds, hydrogenolysis of carbon–carbon bonds and hydrogenation of nitrites and nitriles were described. This review demonstrates the extraordinary potentials of LDH-derived catalysts in hydrogenation and hydrogenolysis reactions, and it is undoubted that LDH-derived catalysts will play an even more significant role in the foreseeable future.

A multi-functional Ru Mo bimetallic catalyst for ultra-efficient C3 alcohols production from liquid phase hydrogenolysis of glycerol

Ru and Mo bimetallic catalysts supported on active carbon modified by phosphotungstic acid (PW) were designed and applied in glycerol hydrogenolysis reaction. The physicochemical properties of the catalysts were characterized and the presence of active sites was investigated from the perspective of the glycerol hydrogenolysis performance. The MoO x is highly selective for the C—O bond cleavage of glycerol molecules, which can reasonably regulate the strong C—C bond cleavage activity of Ru nanoparticles. By using sequential deposition of Ru and Mo supported on mesoporous PW-C, the characterization results show that the combination of isolated low-valence MoO x with metal Ru particles can form “MoO x -Ru-PW”, which provides highly catalytic activity toward C—O bond cleavage, selectively producing more C3 alcohols (mainly 1,2(3)-propanediol). The glycerol conversion of 1% Mo/Ru/PW-C catalyst was 59.6%, the selectivity of C3 alcohol was 96.1%, and the selectivity of propanediol (1,2(3)-propanediol) was 94.9%. It is noteworthy that the selectivity of 1,3-propanediol reached 20.7% when the PW was 21.07% (mass). This study provides experimental evidence for the tandem dehydration and hydrogenation mechanism of the multifunctional Mo/Ru/PW-C catalyst.

A novel one-step synthesis of 1-propanol from hydrogenolysis of glycerol using a Ni-HSiW/Al2O3 catalyst – The impact of H2 pressure on catalyst performance

Hydrogenolysis of glycerol based on biomass is a possible route to obtain various valuable chemicals. Molecular hydrogen is a reactant in hydrogenolysis reactions. Optimizing hydrogen pressure can bring about a number of different benefits and other value added aspects to the process. In addition, hydrogen could also affect the catalyst surface and chemical characteristics which affect the catalyst activity. This study is focused on the influence of the pressure of hydrogen on the hydrogenolysis of glycerol using a 10Ni-30HSiW/α-Al2O3. The catalysts of 10Ni-30HSiW/α-Al2O3 were prepared using a wetness impregnation technique and the catalytic activity is tested in a batch reactor. The characterization of these catalysts were performed using different techniques such as NH3 temperature programmed desorption (TPD), X-ray powder diffraction (XRD), Thermal gravimetric analysis (TGA), X-ray photoelectron spectroscopy (XPS) and Fourier transformed infrared spectroscopy (FT-IR). The study found that the hydrogen pressure influenced both the conversion of glycerol and the distribution of products. As the H2 pressure increased, the selectivity to 1-propanol (1-PO) increased while the selectivities to acrolein, acetol and other products decrease. Interestingly the conversion of glycerol went through a maximum of 64.8% at 145 PSI of H2 and decreased as the H2 pressure increased. It was found that it is necessary to have high hydrogen pressure to maintain Ni in the metallic or zero oxidation state which accelerated the hydrogenation of acrolein to 1-PO and suppressed the formation of byproducts. However reduction of W6+ to a lower oxidation state (W4+) occurred under a high pressure of H2 which reduces the acidity of the catalyst during the dehydration and decreased the conversion of glycerol.

Sustainable Selective Propanol Production via Continuous Flow Conversion of Glycerol over Synergistic Bifunctional Catalysts: An Exploration into Factors Affecting Activity

AbstractSelective hydrogenolysis of glycerol to propanol is a sustainable reaction, which can play a critical role in the future of the propylene market, as one step dehydration of this sustainable propanol provides access to sustainable propylene. In this work, Copper (Cu) – Tungstosilicic acid (HSiW) catalysts were studied for the hydrogenolysis of glycerol. For the first time over a Cu catalyst, this study reports a yield of ∼76 % for direct conversion of glycerol to propanols in continuous flow mode. Several advanced characterization techniques were employed to study the fresh and used catalysts. The presence of intact Keggin units of HSiW solid acid (with medium acidity) in the vicinity of small clusters of copper sites improved the performance and lifetime of these bifunctional catalysts. This study offers insights into the nature of the active sites required for the hydrogenolysis reaction, which was achieved without using expensive PGMs.

Study of the Glycerol Hydrogenolysis Reaction on Cu, Cu-Zn, and Cu-ZnO Clusters.

Quantum chemistry calculations have been performed to access the efficacy of Cu-based catalysts in various mechanistic steps of the glycerol hydrogenolysis reaction. Calculations are first performed for reactants in the gas phase (noncatalyzed system) and reactants in the gas phase with a 3-atom Cu cluster (catalyzed system). We demonstrate that the glycerol to ethylene glycol conversion is preferred in the noncatalyzed system but glycerol conversion to 1,2-propanediol via the 2-acetol intermediate is preferred in the catalyzed system. We next analyze the adsorption energies of the reactant and product species involved in the glycerol to 1,2-PDO reaction on an 8-atom Cu cluster and Cu cluster doped with a Zn atom or a ZnO molecule. Finally, we study the effects of Zn or ZnO doping on the activation barriers of the two steps of the glycerol to 1,2-PDO reaction.

The importance of cobalt disulfide morphology for cellulose depolymerization: Hydrogenolysis versus acid catalysis

Acid-catalyzed hydrolysis and metal-catalyzed hydrogenolysis are two important methods for conversion of cellulose into high value-added chemicals, which preferentially use homogeneous acids and precious metals as catalysts, respectively. This paper reports that cobalt disulfide (CoS2) can be competent in both acid hydrolysis and hydrogenolysis reactions as an inexpensive heterogeneous catalyst by controlling its morphology. Two kinds of CoS2 with imperfect spherical (A-CoS2) and regular octahedral (Syn-CoS2) morphologies were tested in the conversion of 5-hydroxymethylfurfural (HMF) under a hydrogen atmosphere. Interestingly, A-CoS2 showed high activity in the hydrogenolysis of HMF to 2,5-hexanedione (2,5-HD) with a yield of 81.5 wt%, while Syn-CoS2 was responsible for the acid hydrolysis of HMF to methyl levulinate (ML) in high yield of 90.8 wt%. Characterization of the two catalysts suggested that Syn-CoS2 had higher Co2+/Co3+ ratio in comparison to A-CoS2, leading to a proportional difference in their acid site numbers. The unique activity of these two catalysts was also reflected in the conversion of cellulose. In particular, Syn-CoS2 exhibited high selectivity to ML formation from cellulose and good recyclability.

A Highly Stable Bimetallic Transition Metal Phosphide Catalyst for Selective Dehydrogenation of n‐Heptane

AbstractIn this work, we demonstrate RuP2‐MoP catalysts being highly stable and selective for the dehydrogenation of long‐chain alkanes like n‐heptane. Compared to a monometallic MoP catalyst, the bimetallic system substantially increases n‐heptene selectivity from 40 % towards 80 %. This effect can be traced back to a reduced surface acidity, suppressing the competitive hydrogenolysis reaction. The active transition metal phosphide is, furthermore, compared to its phosphorous‐free RuMo‐counterpart. As revealed by STEM‐EDX investigations, incorporation of phosphorous results in the formation of separated metal phosphide clusters instead of an intermetallic alloy. In the dehydrogenation of n‐heptane the phosphorous modification clearly avoids catalyst deactivation and maintains the high n‐heptene selectivity. X‐ray diffraction, elemental analysis and STEM‐EDX further reveal that catalyst coking and the formation of less active molybdenum carbide phases is effectively suppressed by phosphorous incorporation, making RuP2‐MoP an attractive system for selective dehydrogenation of long‐chain alkanes.

Heterogeneous Catalysts for Conversion of Biodiesel-Waste Glycerol into High-Added-Value Chemicals

The valuable products produced from glycerol transformation have become a research route that attracted considerable benefits owing to their huge volumes in recent decades (as a result of biodiesel production as a byproduct) as well as a myriad of chemical and biological techniques for transforming glycerol into high-value compounds, such as fuel additives, biofuels, precursors and other useful chemicals, etc. Biodiesel has presented another challenge in the considerable increase in its byproduct (glycerol). This review provides a recent update on the transformation of glycerol with an exclusive focus on the various catalysts’ performance in designing reaction operation conditions. The different products observed and cataloged in this review involved hydrogen, acetol, acrolein, ethylene glycol, and propylene glycol (1,3-propanediol and 1,2-propanediol) from reforming and dehydration and hydrogenolysis reactions of glycerol conversions. The future prospects and critical challenges are finally presented.

Ethane formation via catalytic low-temperature steam reforming of C3+-alkanes

The present work aims at studying low-temperature steam reforming (LTSR) of model mixtures of flare gases containing C2H6-C4H10 in methane excess over a highly dispersed Rh-based catalyst. 1 wt% Rh/Ce0.75Zr0.25O2 catalyst was prepared by sorption-hydrolytic deposition. Catalytic properties were studied in the LTSR of model fuel gas mixtures at 200–350 °C. The catalysts provided complete conversion of C2+-hydrocarbons into CH4, CO2 and H2 at 320–350 °C. The conversion of propane and heavier alkanes over Rh at low temperature (200–300 °C) allows obtaining high ethane concentrations in the products, which is not observed in the case of nickel catalysts. The influence of hydrogenolysis reaction to ethane formation is discussed. Ethane has a higher calorific value than methane and can compensate the negative effect of the product gas dilution by carbon dioxide and hydrogen that are formed in the reaction. This can be useful for adjusting the fuel properties (calorific value, Wobbe index, methane number) of the resulting gas mixtures.

Horizontal planetary mechanochemical method for rapid and efficient remediation of high-concentration lindane-contaminated soils in an alkaline environment

Lindane is a persistent organic pollutant that has attracted worldwide attention because of its threat to human health and environmental security. A horizontal planetary mechanochemical method was developed for rapid and efficient degradation of lindane in soil in an alkaline environment. Under the condition of a very low reagent-to-soil ratio (R = 2%), ball-to-powder ratio (CR = 6:1), rotation speed (r = 300 rpm) and high soil single treatment capacity (SC = 60 g), the lindane in four typical soils (~ 100 mg/kg) can be degraded up to 96.30% in 10 min. This method can also remediate high-concentration lindane-contaminated soil (833 ± 26 mg/kg). The experimental results and theoretical calculations proved that the stepwise dechlorination and final carbonization of lindane in soil are mainly attributed to the combined action of mechanical energy and alkalinity. The bimolecular elimination (E2) reaction was the first step of lindane destruction. Subsequently, the unimolecular elimination (E1) reaction tended to occur with the weakening of alkalinity. Then, benzene was obtained through stepwise hydrogenolysis reaction. The last was the generation of carbon substances by fragmentation or condensation of benzene rings. This work proposes a practical remediation technology for organic contaminated soil and improves the understanding of the degradation pathways of lindane in soil in alkali-assisted mechanochemical system.

Selectively chemo-catalytic hydrogenolysis of cellulose to EG and EtOH over porous SiO2 supported tungsten catalysts

Cellulosic ethanol produced from lignocellulose biomass can alleviate the shortage of conventional fossil energy supply and reduce global CO2 emissions. Wherein, hydrogenolysis of cellulose to ethanol is a new method for the synthesis of fuel ethanol, which could theoretically utilizes all carbon atoms in glucose in the direct retro-aldol condensation (RAC) reaction to produce ethanol, and can potentially break through the technical bottleneck of biological methods. Herein, we show that the benefits of the mesoporous structure of tungsten-based catalysts can be leveraged to influence the selective hydrogenolysis of cellulose into C2 products. Comparing the performance of different pore size SiO2 supported tungsten catalysts and detailed characterizations revealed that the mesoporous structure of supports can affect the morphology, crystal sizes, and surface chemistry of the catalysts, which presented a combined effect on the hydrogenolysis reaction. Whereby, 51.5 wt% ethylene glycol (EG) was obtained from the direct hydrogenolysis of cellulose over Ru-WOx/SiO2 (500 Ȧ) catalyst under 513 K, and 40.5 wt% ethanol (EtOH) was obtained from the direct hydrogenolysis of cellulose over Ir-WOx/SiO2 (500 Ȧ) catalyst under 553 K, respectively.

Regulating oxygen defects via atomically dispersed alumina on Pt/WOx catalyst for enhanced hydrogenolysis of glycerol to 1,3-propanediol

Tungsten-based catalyst has been widely investigated in the field of selective hydrogenolysis of secondary CO bond, such an important yet challenging strategy, in glycerol conversion, in which the product 1,3-propanediol (1,3-PDO) is of great value in polyester industry. Unfortunately, though it has been proved to be highly active, the identification of the intrinsic tungsten oxide active sites still remains unrevealed to date due to its complex microstructure. Herein, we incorporate atomically dispersed alumina as promoter in the context of the selective hydrogenation of glycerol and report a Pt/Al-WOx catalyst. This catalyst decidedly outperforms the unpromoted Pt/WOx, which elevates the 1,3-PDO yield to 2 times. Spectroscopy characterizations and chemisorption experiments have revealed that the high activity and selectivity of Pt/Al-WOx catalyst results from the more oxygen vacancies on WOx in-situ generation by the acceleration of atomically dispersed alumina in hydrogen atmosphere, which increases the selective adsorption of glycerol and the in-situ Brønsted acid sites for the selective activation of secondary CO bonds, thus largely augmenting the hydrogenolysis performance. This discovery not only provides the new strategy of defect engineering to enhance hydrogenolysis performance of secondary CO bond in biomass compounds, but reveals the unique role of the unsaturated coordination structure of WOx in chemoselective hydrogenolysis reactions.

Promoted Hydrogenolysis of Furan Aldehydes to 2,5-Dimethylfuran by Defect Engineering on Pd/NiCo2 O4.

Catalytic hydrogenolysis of biobased furan aldehydes (i. e., 5-methylfurfural, 5-hydroxymethylfurfural) to 2,5-dimethylfuran has gained extensive interest for biomass-derived fuels and chemicals. Herein, a class of NiCo2 O4 -supported palladium with considerable oxygen defects was synthesized by hydrogen plasma etching and phosphating methods. The oxygen defects not only promoted the hydrogenation of the C=O group but also enhanced the accessibility of coordinatively unsaturated metal cations with Lewis acidity for the hydrogenolysis of the C-OH group. Meanwhile, the additional Brønsted acidity in Pd/NiCo2 O4-x obtained by phosphating could further strengthen the hydrogenolysis ability by the etherification route of C-OH. Finally, Pd/NiCo2 O4-x exhibited the most effective performance with 2,5-dimethylfuran yields of 92.9 and 90.5 % from 5-methylfurfural and 5-hydroxymethylfurfural, respectively. These catalytic mechanisms were confirmed by in-situ infrared spectroscopy and control experiments. Furthermore, the catalyst showed outstanding recycling stability. This work shows powerful synergistic catalysis in the hydrogenolysis reaction by multifunctional active sites.

Kinetic modeling of conversion of glycerol to 1,2-propanediol over bifunctional LDH catalyst

The performance of a highly efficient Cu0.45Zn0.15Mg5.4Al2O9 catalyst was investigated using a high-pressure autoclave reactor by adjusting several reaction conditions. The involvement of intermediates (Hydroxyacetone, Propylene glycol, Ethylene glycol) was explored to better understand the reaction pathways. The hydrogenolysis reaction was shown to be a multistep process, including the dehydration of glycerine to hydroxyacetone and then the hydrogenation of hydroxyacetone to 1,2-PDO. Finally, several kinetic models were established, and experimental outcomes were fitted to these models. The reaction kinetic parameters were calculated in MATLAB using ode45 and ode23s combined with optimization strategies to solve the resultant ordinary differential equations. The modified Power law model and the Eley-Rideal (E-R) models adequately correlated the experimental outcomes for two step hydrogenolysis reaction, according to the findings. The modified power law model revealed a pseudo-first order reaction in case of glycerol, and the energy of activation was calculated as 52.6 ​kJ/mol.