Distribution Of Reaction Products Research Articles

Effect of rhenium on the activity of ZrO2-supported copper catalysts for hydrodeoxygenation of m-cresol

This work studies the effect of adding different loadings of Re on the performance of ZrO2-supported Cu catalysts for hydrodeoxygenation (HDO) of m-cresol. H2-TPR and XPS show a synergistic effect between Cu and Re, decreasing the reduction temperature of both metals and promoting the reduction of Re oxide. Moreover, the addition of Re changes Cu dispersion and acid properties of all catalysts. High Re contents results in a coverage of Cu surface. Catalytic tests reveal that HDO reaction rate and product distribution vary considerably depending on the Re loading. Cu catalyst was inactive for HDO reaction, forming only hydrogenation products. In contrast, Re catalyst stood out for its high capacity to promote HDO reaction, with significant production of toluene. For the bimetallic catalysts, the addition of Re increases HDO reaction rate from 0 to 0.39 mmol gmetal−1 min−1 and the selectivity towards toluene (0–82.6 %), whereas the formation of hydrogenation and dehydration products decreases.

Impact of Cavity Length Non-uniformity on Reaction Rate Extraction in Strong Coupling Experiments.

Reports of altered chemical phenomena under vibrational strong coupling, including reaction rates, product distributions, intermolecular forces, and cavity-mediated vibrational energy transfer, have been met with a great deal of skepticism due to several irreproducible results and the lack of an accepted theoretical framework. In this work, we add some insight by identifying a UV-vis measurement artifact that distorts observed absorption peak positions, amplitudes, and consequently, chemical reaction rates extracted in optical microcavities. We predict and characterize the behavior of this artifact using the Transfer Matrix (TM) method and confirm its presence experimentally. We then present a correction technique whereby an effective molar absorption coefficient is assigned to an absorbing species within the cavity. These revelations have important implications for many existing examples of cavity-modified chemistry and establishing best practices for carrying out robust future investigations.

Effect of electrolyte level on performance and mass transfer of non-aqueous lithium-oxygen battery

To accurately reveal the effect of electrolyte content on mass transfer within lithium-oxygen batteries and their discharge performance, this study utilizes computed tomography(CT) scanning technology and digital reconstruction methods to construct a geometric model of the lithium-oxygen battery cathode that is equivalent to the actual one. Based on the fundamental principles of mass transfer, fluid dynamics, and electrochemistry, a two-dimensional model for the discharge process of lithium-oxygen batteries is established. This model facilitates analysis of various parameters and their influencing factors, including the distribution of reaction products, pore structure, oxygen concentration distribution, battery performance, and overpotential, within the lithium-oxygen battery cathode. The research findings indicate that the deposition of reaction products alters the cathode structure and material transport; lower discharge current density and higher electrolyte levels are conducive to the dispersed deposition of reaction products, thereby reducing the deposition's resistance to internal mass transfer in the cathode.

Kinetic insights into heavy crude oil upgrading in supercritical water

Heavy crude oil upgrading in a supercritical water environment is a promising technology owing to diverse advantages such as heteroatom removal, high yields of low molecular weight fractions, and inhibition of coke production. In order to increase the performance of this process, some challenges need to be overcome by researching the reaction mechanisms and developing proper numerical models. Therefore, the kinetic studies reported in the literature for hydrothermal upgrading of heavy crude oil under supercritical water conditions and their results were systematically analyzed and discussed to achieve a better understanding of the diverse approaches considered to determine the distribution of reaction products and limitations. Additionally, fundamental aspects of the kinetic models, including experimental considerations and numerical methodologies applied for kinetic parameter estimation, are reviewed to obtain representative information about the reactant system that can be subsequently integrated into reactor design models or reservoir simulations.

Critical Factors Affecting the Selective Transformation of 5-Hydroxymethylfurfural to 3-Hydroxymethylcyclopentanone Over Ni Catalysts.

The ring-rearrangement of 5-hydroxymethylfurfural (HMF) to 3-hydroxymethylcyclopentanone (HCPN) was investigated over Ni catalysts supported on different carbon supports and metallic oxides with different structure and acid-base properties. Their catalytic performance was tested in a batch stirred reactor in aqueous solution at 180 °C and 30 bar of H2. Under these conditions, the HMF hydrogenation proceeds through three possible competitive routes: (i) a non-water path leading to the total hydrogenation product, 2,5-di-hydroxymethyl-tetrahydrofuran (DHMTHF), and two parallel acid-catalyzed water-mediated routes responsible for (ii) ring-opening and (iii) ring-rearrangement reaction products. All catalyst systems primarily produced HCPN, but reaction rates and product distribution were influenced by several variables, some of them intensely analyzed in this work. The most proper conditions resulted to be the presence of the medium/strong Lewis's acidity of a Ni/ZrO2 catalyst (initial TOF=5.99 min-1 and 73 % HCPN selectivity) or the Brønsted acidity originated by an oxidized high surface area graphite, Ni/HSAG-ox (initial TOF=5.92 min-1 and 87 % HCPN selectivity). However, too high density of acidic sites on the catalyst support (Ni/Al2O3) and sulfur impurities from the HMF feedstock led to catalyst deactivation by coke deposition and Ni poisoning, respectively.

Micro-Structure Engineering in Pd-InOx Catalysts and Mechanism Studies for CO2 Hydrogenation to Methanol.

Significant interest has emerged for the application of Pd-In2O3 catalysts as high-performance catalysts for CO2 hydrogenation to CH3OH. However, precise active site control in these catalysts and understanding their reaction mechanisms remain major challenges. In this investigation, a series of Pd-InOx catalysts were synthesized, revealing three distinct types of active sites: In-O, Pd-O(H)-In, and Pd2In3. Lower Pd loadings exhibited Pd-O(H)-In sites, while higher loadings resulted in Pd2In3 intermetallic compounds. These variations impacted catalytic performance, with Pd-O(H)-In catalysts showing heightened activity at lower temperatures due to the enhanced CO2 adsorption and H2 activation, and Pd2In3 catalysts performing better at elevated temperatures due to the further enhanced H2 activation. In situ DRIFTS studies revealed an alteration in key intermediates from *HCOO over In-O bonds to *COOH over Pd-O(H)-In and Pd2In3 sites, leading to a shift in the main reaction pathway transition and product distribution. Our findings underscore the importance of active site engineering for optimizing catalytic performance and offer valuable insights for the rational design of efficient CO2 conversion catalysts.

Angular distribution of products in multinucleon transfer reactions* *Supported by the Guangdong Major Project of Basic and Applied Basic Research (2021B0301030006), the National Natural Science Foundation of China (12175151, 12105181, 11847235), and the Steady Support Program for Higher Education Institutions of Shenzhen (20200817005440001)

A method based on the dinuclear system (DNS) is proposed to describe the angular distribution of products in multinucleon transfer (MNT) reactions. By considering fluctuation effects, the angular distributions of reactions involving 136Xe+208Pb, 136Xe+209Bi, 86Kr+166Er, 84Kr+209Bi, and 84Kr+208Pb are examined, demonstrating good agreement with experimental data. Moreover, the double differential cross-sections ( and ) of reactions 136Xe+208Pb and 136Xe+209Bi are analyzed to explore the mechanism of angular distribution in MNT reactions. Additionally, the optimal angles for detecting N=126 isotopes are determined via an analysis on the influence of proton and neutron numbers of the projectiles on the angular distribution of the N=126 isotopic line. The results of this study can provide valuable insights for experimental detection.

On application of molecular dynamics simulation for studying the effect of temperature and heating rate on HTL of biomass

Abstract Hydrothermal liquefaction (HTL) of biomass has garnered increasing attention as a promising pathway for converting solid biomass to liquid biofuels and valuable chemical products. HTL involves processing of biomass in water at high-temperature and high-pressure conditions. The heating rate during this process plays a critical role in determining the yield and composition of the liquefied products. To probe the impact of heating rate, we develop a detailed atomistic model biomass by using cellulose as model compound and place it in a simulated HTL reactor. Our Reactive molecular dynamics simulations are capable of capturing the dynamic chemical reactions and structural changes during HTL. The effect of reaction temperature and heating rates on reaction pathways, product distributions, and reaction kinetics is rigorously analyzed. Our findings reveal that the reaction temperature and heating rate significantly influences the extent of cellulose degradation and the composition of bio-oil product.

Catalytic flash pyrolysis for recovery of gasoline-range hydrocarbons from electric cable residue using a low-cost natural catalyst: An analytical Py–GC/MS study

This investigation’s novelty and objective reside in exploring catalytic flash pyrolysis of cross-linked polyethylene (XLPE) plastic residue in the presence of kaolin, with the perspective of achieving sustainable production of gasoline-range hydrocarbons. Through proximate analysis, thermogravimetric analysis, and heating value determination, this study also assessed the energy-related characteristics of cross-linked polyethylene plastic residue, revealing its potential as an energy source (44.58 MJ kg−1) and suitable raw material for pyrolysis due to its low ash content and high volatile matter content. To understand the performance as a low-cost catalyst in the flash pyrolysis of cross-linked polyethylene plastic residue, natural kaolin was subjected to characterization through thermogravimetric analysis, X-ray diffractometry (XRD), Fourier transform infrared spectroscopy (FTIR), and X-ray fluorescence (XRF). Cross-linked polyethylene plastic residue was subjected to thermal and catalytic pyrolysis in an analytical microreactor coupled to gas chromatography-mass spectrometry (Py–GC/MS system), operating at 500 °C, to characterize the distribution and composition of volatile reaction products. The application of kaolin as a catalyst resulted in a decline of the relative concentration of hydrocarbons in the diesel range (C8-C24) from approximately 87 % to 28 %, and a reduction in lubricating oils (C14-C50) from about 70 % to 13 %, while concomitantly increasing the relative concentration of lighter hydrocarbons in the gasoline range (C8-C12) from around 28 % to 87 %. Therefore, catalytic flash pyrolysis offers the potential for converting this plastic waste into a new and abundant chemical source of gasoline-range hydrocarbons. This process can be deemed viable and sustainable for managing and valorizing cross-linked polyethylene plastic residue.

Synergetic effects during co-pyrolysis of waste textiles and Ca/Fe-rich industrial sewage sludge: Reaction kinetics and product distribution

Co-pyrolysis is a promising technology for industrial organic waste to utilize their unique resource and energy properties for efficient conversion into valuable products. This study was the first time to characterize the co-pyrolysis of waste textiles with Ca-rich industrial sludge and Fe-rich industrial sludge on a laboratory-scale fixed bed. The properties, mechanisms, gas, oil and carbon production were investigated as a function of temperature and mixing type. Co-pyrolysis increased the total weight loss from 50.05 % to 69.81 % for Ca-rich industrial sludge mixed with 50 % waste textiles and from 49.13 % to 70.01 % for Fe-rich industrial sludge mixed with 50 % waste textiles. The activation energy of co-pyrolysis was approximately 50 % lower compared to the pyrolysis of waste textiles alone. The optimal reaction model for the different reaction stages for all samples was three diffusion (D3). Co-pyrolysis resulted in lower CO and CO2 emission temperatures of about 25–110 °C and produced more short-chain organic compounds (C < 10). Co-pyrolysis produced more aldehydes and ketones organics. Moreover, co-pyrolysis char exhibited an elevated level of fatty alkyl side chains and bridge branching, as well as higher degrees of aromatization and stability. This study offers valuable insights into the potential application of pyrolysis for the management of Ca/Fe-rich industrial sludge and waste textiles, thereby serving as a basis for future utilization endeavors.

Understanding shape selectivity effects of hydroisomerization using a reaction equilibrium model.

We study important aspects of shape selectivity effects of zeolites for hydroisomerization of linear alkanes, which produces a myriad of isomers, particularly for long chain hydrocarbons. To investigate the conditions for achieving an optimal yield of branched hydrocarbons, it is important to understand the role of chemical equilibrium in these reversible reactions. We conduct an extensive analysis of shape selectivity effects of different zeolites for the hydroisomerization of C7 and C8 isomers at chemical reaction equilibrium conditions. The reaction ensemble Monte Carlo method, coupled with grand-canonical Monte Carlo simulations, is commonly used for computing reaction equilibrium of heterogeneous reactions. The computational demands become prohibitive for a large number of reactions. We used a faster alternative in which reaction equilibrium is obtained by imposing chemical equilibrium in the gas phase and phase equilibrium between the gas phase components and the adsorbed phase counterparts. This effectively mimics the chemical equilibrium distribution in the adsorbed phase. Using Henry's law at infinite dilution and mixture adsorption isotherm models at elevated pressures, we calculate the adsorbed loadings in the zeolites. This study shows that zeolites with cage or channel-like structures exhibit significant differences in selectivity for alkane isomers. We also observe a minimal impact of pressure on the gas-phase equilibrium of these reactions at typical experimental reaction temperatures 400-700K. This study marks initial strides in understanding the reaction product distribution for long-chain alkanes.

Thermodynamic property estimations for aqueous primary, secondary, and tertiary alkylamines, benzylamines, and their corresponding aminiums across temperature and pressure are validated by measurements from experiments

On Earth and beyond, organic chemistry often occurs in the presence of water within environments that deviate drastically from ambient conditions (25 °C and 1 bar). Accurately predicting aqueous organic reaction pathways is crucial toward understanding planetary scale processes such as the cycling of elements crucial for life (e.g., carbon and nitrogen). Advanced thermodynamic modeling can be utilized to determine the favorability of various organic reactions based on geologically relevant ranges of temperature and pressure, as well as compositional variables (e.g., pH). However, data that would otherwise allow for a diversity of organic compounds and environmental conditions to be modeled are sparse and rarely tested with experiments, particularly with regard to organic-nitrogen compounds. In this work, we develop a framework to estimate thermodynamic properties at ambient conditions that can then be extrapolated across ranges of temperature and pressure for aqueous primary, secondary, and tertiary amines and aminiums (protonated amines), specifically those structures containing linear alkyl chains and benzyl functional groups. We also performed hydrothermal experiments (250 °C, ∼40 bar) involving reactions of methylamines to test our resulting thermodynamic models, and we compare our models for other alkylamines and benzylamines to previous empirical measurements from the literature. Specifically, we use existing thermodynamic data along with our estimates at ambient conditions in combination with a variety of existing extrapolation methods related to the revised Helgeson-Kirkham-Flowers (HKF) equations of state to generate temperature- and pressure-dependent predictions of acid dissociation constants (i.e., pKa values) that strongly agree with previous empirical measurements. We use similar methods to predict product distributions for reactions involving primary, secondary, and tertiary amines/aminiums, as well as ammonia/ammonium and corresponding alcohols whose collective distributions depend on reversible substitution reactions. Our predictions are in good agreement with our experimental results involving the methylamine reaction system as well as previous experiments involving the benzylamine reaction system, for which we also produced thermodynamic estimates involving benzyl alcohol. The agreement between independent theoretical predictions and experimental measurements suggests that our estimated properties can be applied to modeling amine chemistry in other experimental and natural aqueous systems that range in temperature and pressure, providing new tools for planetary exploration.

Efficient and Homogenous Precipitation of Sulfur Within a 3D Electrospun Heterocatalytic Rutile/Anatase TiO2-x Framework in Lithium–Sulfur Batteries

AbstractLithium–sulfur (Li–S) batteries can potentially outperform state-of-the-art lithium-ion batteries, but their further development is hindered by challenges, such as poor electrical conductivity of sulfur and lithium sulfide, shuttle phenomena of lithium polysulfides, and uneven distribution of solid reaction products. Herein, free-standing carbon nanofibers embedded with oxygen-deficient titanium dioxide nanoparticles (TiO2-x/CNFs) has been fabricated by a facile electrospinning method, which can support active electrode materials without the need for conductive carbon and binders. By carefully controlling the calcination temperature, a mixed phase of rutile and anatase was achieved in the TiO2-x nanoparticles. The hybridization of anatase/rutile TiO2-x and the oxygen vacancy in TiO2-x play a crucial role in enhancing the conversion kinetics of lithium polysulfides (LiPSs), mitigating the shuttle effect of LiPSs, and enhancing the overall efficiency of the Li–S battery system. Additionally, the free-standing TiO2-x/CNFs facilitate uniform deposition of reaction products during cycling, as confirmed by synchrotron X-ray imaging. As a result of these advantageous features, the TiO2-x/CNFs-based cathode demonstrates an initial specific discharge capacity of 787.4 mAh g−1 at 0.5 C in the Li–S coin cells, and a final specific discharge capacity of 584.0 mAh g−1 after 300 cycles. Furthermore, soft-packaged Li–S pouch cells were constructed using the TiO2-x/CNFs-based cathode, exhibiting excellent mechanical properties at different bending states. This study presents an innovative approach to developing free-standing sulfur host materials that are well suited for flexible Li–S batteries as well as for various other energy applications. Graphical Abstract

Catalytic hydrothermal liquefaction of Camelina sativa residues for renewable biogasoline production

ABSTRACT Camelina sativa plant residue was used as feedstock for the production of biogasoline (a mixture of paraffinic and olefinic hydrocarbons) by catalytic hydrothermal liquefaction (cHTL) process. The experiments were conducted at temperature range 200–375°C and pressure range 10–19 MPa. Molecular hydrogen was added for the hydro-deoxygenation processes. Various experiments were performed to understand the contributions of process parameters such as temperature, pressure, hydrogen, and retention time on reaction conversion and products distribution. This was followed by screening of different catalyst supports – γ-Al2O3, HZSM-5, SiO2-Al2O3, SBA-15, and Al2O3-HZSM-5 to understand their impacts as well as catalytic activities. The Al2O3/HZSM-5 exhibited the best properties and was impregnated with a varying range of cobalt metal for the HTL of Camelina sativa. The 5%Co/γ-Al2O3-HZSM-5 catalyst exhibited highest liquefaction conversion (79%) and biogasoline yield (43%) at optimized reaction conditions due to the presence of strong brønsted acidity on the catalyst were that enhanced both the hydrocarbon cracking and hydrogenation leading to the production of low boiling point and low molecular weight hydrocarbon within the boiling point range of fossil gasoline. Across all the data point used in the work, the average deviation was within ± 3%, these are mostly indicated by the error bars.

Image enhancement and microstructure characterization of energy dispersive X-ray spectroscopy images of blended cement pastes

Energy dispersive X-ray spectroscopy (EDS) image analysis has been widely used to study the microstructure of cementitious materials, whereas in some cases the efficiency of the characterization suffered from the extremely long time for image acquisition. In this study, we proposed an EDS image analysis methodology including image enhancement, phase extraction, and characterization of reaction products. The guided filter and Logarithm correction were combined and employed to improve the resolvability of low-quality EDS images. Gaussian Mixture Model (GMM) algorithm was applied to segment the unreacted phases and two different groups of reaction products from the enhanced EDS images. Moreover, the spatial distribution and chemical composition of reaction products were characterized using the lineal-path function and simple lineal iterative clustering (SLIC) algorithm. Results showed that low-quality EDS images after enhancing could achieve the comparable performance with high-quality EDS images in terms of the phase proportions. This study offers a practical and effective methodology for enhancing and analyzing the low-quality EDS images, giving insights into the phase assemblage and microstructure evolution of cementitious materials.

Assessment of Cryogenic Coring to Preserve Vertical Distributions of Trichloroethylene and Reaction Products in an Aquitard

AbstractThere is not a clear understanding of the extent by which naturally occurring reactions can attenuate trichloroethene (TCE) and its daughter products within low permeability zones (LPZs), and addressing this knowledge gap requires advancement of methods to accurately measure in situ volatile chemical concentrations. In this study, a soil coring method that freezes the soil in‐situ (a.k.a., cryogenic coring) was utilized to measure depth‐discrete distributions of TCE and its volatile reaction products through a TCE‐impacted silty clay aquitard, and results were compared with those from adjacent soil cores taken using a conventional coring approach. Vertical concentration profiles of TCE, cis‐1,2‐dichloroethylene (DCE), vinyl chloride (VC), ethane, and methane were all compared between the two coring methods, and results indicate the two coring methods recovered statistically equivalent concentrations of volatiles across most depths of the fine‐grained cohesive clayey soil at the study site. Biotic reductive dechlorination was the dominant TCE reaction pathway at the site; several reduced gasses that are possible markers for abiotic reduction were detected, but their concentrations and intervals of occurrence were not sufficiently consistent to indicate whether they were from abiotic TCE reduction or unrelated biological processes. Overall, cryogenic coring yielded improved recovery of sand lenses compared to conventional coring, but offered no apparent benefits for improved recovery of TCE and its volatile reaction products in the low permeability aquitard material at the site.

Hierarchical porous Pt/Hβ catalyst with controllable acidity for efficient hydrogenation of naphthalene

A series of hierarchical porous Pt/Hβ catalysts with different mesopores-acidity were synthesized without using secondary template. The pore structures of the catalysts were altered by constructing mesopores through alkali etching to reduce the mass transfer resistance. Moreover, the metal-support interaction (MSI) was optimized to improve the dispersion of the Pt metal particles. The smaller metal species could expose more active sites during the hydrogenation process, along with a more pronounced electron-deficiency effect. Furthermore, the effect of acid sites distribution on the hydrogenation reaction path and product distribution were also investigated. The strong acid-mesopores-metal factor (X) was defined to describe the relationship with the yield of decalin. The yield of decalin was well correlated with a high R2 value of 0.97. The Pt/Hβ-75 catalyst showed the best synergistic effect between acidity, mesopore and Pt species, leading to the optimal naphthalene conversion (96.7%) and higher yield of decalin (76.7%) at a relatively low temperature, which exhibited a better activity than other catalysts reported in literature for hydrogenation of naphthalene at a similar reaction condition. Besides, the hydrogenation reaction mechanism of naphthalene over Pt supported catalysts was further investigated by density functional theory, and the effect of Pt NPs size on the catalytic reaction process and activity was preliminarily revealed.

A new generation pathway of singlet oxygen in heterogeneous single–atom Mn catalyst/peroxymonosulfate system

The function of heterogeneous catalyst in singlet oxygen (1O2) generation under acidic and neutral conditions and the effect of sulfate radical on the generation of 1O2 is still unclear. This study provided a novel generation pathway of 1O2 in the heterogeneous Mn single − atom catalyst (Mn SAC)/peroxymonosulfate (PMS) system. The MnN4 site with the ideal binding strength promoted the activation of PMS to generate sulfate radical (SO4•–), which would be adsorbed on the carbon/nitrogen sites forming SO4•–(s), reacting spontaneously to produce 1O2. The presence of MnN4 and carbon/nitrogen structure sites could shift the oxidation process from a bulk–phase oxidation to a surface oxidation. This shift has important implications in terms of reaction rate and product distribution, as the dual reaction sites decrease the required migration distance for the active species to form 1O2, avoiding the pointless consumption of active substances.

Mono- and Co- solvency based transesterification of Caryota urens seed oil

This study aims to comprehensively evaluate the reaction parameters and fuel properties of biodiesel derived from underutilized waste Caryota urens seed oil (CUO) using mono- and co-solvency-based transesterification. The CUO was extracted through both solvent extraction at the laboratory scale and mechanical screw press for large-scale purposes, with a maximum oil content of 7.76 ± 1.52% (wt%) reported. Transesterification of CUO was carried out using methyl, ethyl, and methyl-ethyl-based reaction systems employing KOH as a base catalyst and ethanol as a co-solvent. The highest yields were achieved under optimized reaction conditions: molar ratio of 1:9, catalyst concentration of 0.75, 0.6, and 0.6 wt%, reaction temperatures of 60, 75, and 70 °C, reaction times of 135, 90, and 40 min, and methanol to ethanol ratio of 4.5/4.5. Notably, the addition of ethanol in an equivalent ratio to methanol altered the reaction kinetics and product distributions, encouraged reactions at higher temperatures without any loss of solvent loss, reduced the overall reaction time, enhanced the overall ester yield, and exhibited the most favourable fuel properties. In fact, fuel properties of both CUO ethyl and methyl-ethyl esters, evaluated as per ASTM D6751 standards, reported enhanced calorific value (40.14 and 39.67 MJ/kg), cetane number (69.29 and 68.27), kinematic viscosity (5.27 and 5.03 mm2/s), and reduced density (870.76 and 871.41 kg/m3) than compared to CUO methyl esters. The findings of this research indicate that CUO esters, regardless of their form, hold significant potential as a promising source of biodiesel fuel.

Study on the process of producing crotonaldehyde from acetaldehyde catalyzed by Zr-β zeolite

As an essential raw material of chemical industry, crotonaldehyde is mainly used to produce sorbic acid, which is a kind of safe food preservative. The nowadays production process of crotonaldehyde adopts sodium hydroxide solution and acetic acid in series as catalysis, which cause serious problems such as salinity waste water and equipment corrosion. Therefore, Zr-β zeolite was developed to catalyze the production of crotonaldehyde from acetaldehyde gas–solid reaction process in our group. This catalyst showed the potential of industrial application for its 94 % selectivity and stability. This paper aims to develop a technological process to produce crotonaldehyde from acetaldehyde based on the newely-researched-out Zr-β zeolite catalyst. According to experimental results of reaction condition and product distribution, a technological process consisting of (1) aldol condensation reaction and raw material recovery section, (2) crotonaldehyde concentration and refinement section, (3) 2-methyl-2-cyclopenten-1-one (MCP) and acidic impurity removal section was established. Mechanical supercharging was employed in section (1) to elevate the heat grade of reactor effluent to heat the reactor feed. Pre-concentration followed by azeotropic distillation was proposed to purify croton aldehyde product. The removal of little MCP in the re-used water was accomplished by evaporating MCP at the top of the column based on our previous finding that MCP-water could form minimum azeotrope. As a result, the purity of crotonaldehyde reached 99.92 wt% and water content reduced below 10 ppm in product, which is much better than the product standard required crotonaldehyde purity 99.5 % and water content 2000 ppm. Based on optimum process, heat exchange network was further optimized with pitch point method, and at last the required heat load was 2.25 Gcal per ton of crotonaldehyde product. The problem of generating salinity waste water in the traditional process was solved thoroughly, which meant that this is a more environmentally friendly process to produce crotonaldehyde.