1、Theoretical study on the synthesis of vinyl acetate from acetylene and

In this study, we used density functional theory (DFT) to calculate the feasibility of preparing vinyl acetate (VAc) on four CN non-metallic materials (C 2 N, C 3 N, C 4 N and C 5 N) under the reaction conditions of 1 atm, 393.15–493.15 K at B3LYP/6-31G (d, p) level.

2、Homogeneous

In this work, we used electrochemical probes to study vinyl acetate synthesis, revealing that interconversion of heterogeneous Pd (0) and homogeneous Pd (II) is required for catalysis, with each species playing a complementary role in the catalytic cycle.

3、Catalytic routes and mechanisms for vinyl acetate synthesis

Here, we review studies on catalyst structure and reaction mechanisms for vinyl acetate synthesis via heterogeneous non-oxidative acetylene acetoxylation and homogeneous and heterogeneous...

Mechanistic Framework and Effects of High Coverage in Vinyl Acetate

Solid catalysts often operate at high surface coverage, but fully analyzing and leveraging coverage effects remains challenging.

Catalytic routes and mechanisms for vinyl acetate synthesis

Here, we review studies on catalyst structure and reaction mechanisms for vinyl acetate synthesis via heterogeneous non-oxidative acetylene acetoxylation and homogeneous and heterogeneous oxidative ethylene acetoxylation.

Modeling and approval of vinyl acetate synthesis process from acetylene

The purpose of this work is to model and optimize the process of synthesis of vinyl acetate from acetylene and solve the listed problems for industrial production.

Coverage effects on the palladium

Herein, first principle density functional theoretical calculations are combined with experimental surface titration studies carried out over well-defined Pd (111) surfaces to explicitly examine the influence of coverage on the acetoxylation of ethylene to form vinyl acetate over Pd.

Experimental and theoretical insights into the cyclotrimerization of

In the actual vinyl acetate production process, benzene is a very harmful by-product for the quality of the product. In this work, the experimental method and DFT method are combined to study how the by-product benzene is produced during the production of vinyl acetate by acetylene gas-phase.

Multiscale Study and Performance Prediction of a Reactor for Vinyl

The synthesis reactor is the key equipment in the vinyl acetate production plant, and its scale-up design is a core challenge in reactor development, which needs to be solved by obtaining accurate reaction kinetic equations.

(PDF) Optimization of Vinyl Acetate Synthesis Process

Taking into account the catalyst deactivation, a mathematical model of the displacement reactor and determination of the main parameters of the tubular reactor was developed for the synthesis...

I. Introduction Vinyl acetate is an important organic compound widely used in plastics, adhesives, coatings, and other fields. Among various synthesis methods, transesterification is the most common approach. This experiment aims to synthesize vinyl acetate via transesterification, explore factors affecting reaction efficiency, and provide theoretical and practical guidance for industrial production.

II. Objectives

1. Master the basic operational procedures for synthesizing vinyl acetate through transesterification.
2. Analyze key factors influencing the efficiency of transesterification reactions.
3. Verify the feasibility of vinyl acetate synthesis via transesterification.
4. Investigate the effects of different catalysts on transesterification.
5. Cultivate experimental skills and scientific research capabilities.

III. Experimental Principle Transesterification is a process where acids and alcohols react under heating or reduced pressure to form esters. In this experiment, vinyl acetate is synthesized by mixing acetic acid (CH₃COOH) with ethanol (C₂H₅OH) at a specific temperature, catalyzed to produce vinyl acetate. The reaction follows the chemical equation: CH₃COOH + C₂H₅OH → CH₃COOC₂H₅ + H₂O

IV. Materials and Apparatus

1. Materials:

   • Acetic acid (CH₃COOH)
   • Ethanol (C₂H₅OH)
   • Catalysts (e.g., sulfuric acid, phosphoric acid)
   • Distilled water
   • Other reagents (e.g., anhydrous calcium chloride, anhydrous sodium sulfate)

2. Apparatus:

   • Heating mantle
   • Magnetic stirrer
   • Separatory funnel
   • Beaker
   • Conical flask
   • Thermometer
   • Condenser
   • Drying agent (e.g., anhydrous calcium chloride)
   • pH test strips
   • Timer

V. Experimental Procedure

1. Preparation:

   • Weigh required reagents and prepare apparatus.
   • Check equipment for safety and integrity.
   • Combine acetic acid, ethanol, and catalyst in a conical flask, adding distilled water.
   • Add drying agents to prevent moisture interference.
   • Install a thermometer and condenser, setting the desired reaction temperature.

2. Reaction:

   • Heat the mixture gradually using a heating mantle.

   • Slowly add ethanol to the acetic acid solution under magnetic stirring.

   • Monitor reactions closely; stop immediately if abnormalities occur.

   • Optionally sample intermittently to test pH, ester content, etc.

   • After reaction completion, cease heating and allow natural cooling.

   • Separate vinyl acetate (lower layer) using a separatory funnel.

   • Weigh the product and calculate yield.

   • Record data, including reaction time, temperature, catalyst type, etc.

VI. Results Analysis Key findings include:

1. Temperature: Higher temperatures accelerate reactions but excess heat induces side reactions, reducing purity. Optimal temperature is critical.
2. Catalysts: Catallyst type and dosage significantly affect reaction rate and yield. Experimental optimization is essential.
3. Reaction Time: Prolonged reactions may cause side products, while insufficient time reduces yield. Balance is key.
4. Reagent Ratio: Proper acetic acid-to-ethanol ratio maximizes yield; imbalance disrupts equilibrium.

**VII. DiscuThis experiment deepened understanding of transesterification mechanisms and mastered synthetic techniques for vinyl acetate. Challenges highlighted the importance of optimizing conditions to improve yield and quality. The study emphasized rigorous experimental design and meticulous data analysis. Future work will explore greener, more efficient synthesis methods to advance chemical industry innovation.