Thermal-oxidation of DOA is one of the most important tests performed to determine the resistance of this material to oxidation. In addition, these experiments record what by-products are produced during oxidation and what changes the physical and chemical properties of dioctyl adipate. In general, dioctyl adipate is used to produce a variety of plastic products and is also used as a solvent in various industries. It is interesting to know that this material can be ordered to be produced in the size you need. In the continuation of this PETROPROVIDERS article, join us to introduce you to the Thermal-oxidation of DOA.

What is Dioctyl Adipate? What are the applications of this material in different industries?

Plastic softener

Plastic softener

 DOA is one of the most important esters in the world that has various applications in various industries. This material is produced with interesting chemical reactions and will save the production process of various materials. In addition, it increases the efficiency of various reactions in the production of plastic products.

 The importance of dioctyl adipate and its use in industry is very visible! This substance is produced in liquid and oily form and is provided to consumers. Consumers who cause the market to rise or fall will buy it. Then they use this material to produce their products.

In general, it is used for the production of automotive parts, aerospace equipment, aircraft parts, and durable plastic products such as HIPS polystyrene and GPPS polystyrene.

types of packaging

types of packaging

In addition, this material can be used as a PVC softener in various industries. It is interesting to know that the use of dioctyl adipate is not very dangerous for human health and the environment; It is FDA approved and is also used for food packaging.

This substance is confused with DOP or dioctyl phthalate in different industries! Dioctyl phthalate is made from phthalic anhydride units and is a type of phthalate. This material is used to produce various types of building insulation as well as flooring.

Results from Thermal-oxidation study of DOA

Thermal-oxidation experiments of DOA have shown that certain physical, physical and chemical changes occur on the dioctyl adipate after oxidation.

In the first article reviewing the oxidation test of dioctyl adipate and also the second article observing the results of the DOA oxidation test, we saw that this ester produces both by-products and thermal polymer products. Therefore, it should be noted that if these materials are properly organized and separated, the reaction efficiency can be increased and the costs can be reduced.

The amount of TAN in these results is determined by the type of content and molecular weight of the acidic compounds. It is interesting to know that the thermal oxidation products produced in this reaction increase the TAN. It is interesting to know that the value of this parameter increases rapidly after oxidation. Used to increase the kinematic viscosity of DOA at 100 ° C as well as 40 ° C.

It should be noted that if in thermal-oxidation of DOA, low molecular weight thermal products are produced, it will reduce the viscosity. Therefore, it should be said that the viscosity of the material does not exceed a certain level during and after the process; This is because of the presence of different thermal materials that have a low molecular weight

We know that friction and wear resistance is one of the most important parameters in the use of materials in various industries. Given that dioctyl adipate is one of the most important ester starting materials to increase efficiency in industry, increasing its friction resistance can lead to increased reaction efficiency and reduced costs.

These techniques should examine the wear mechanisms that are recorded when using DOA. It should be noted that this surface is relatively smooth and indicates that it can cover the surface after the oxidation of DOA.

In addition, DOA can polish and cover metal surfaces. In addition, this material can be a lubricant for PVC and after oxidation, this property can be increased. After oxidation, the thermal properties of the material improved and, in addition, stains were seen where the corrosion points of the carboxylic acids were absorbed.

What was the effect of ReaxFF MD simulation on the determination of thermal-oxidation of DOA?

effect of ReaxFF MD simulation

effect of ReaxFF MD simulation

The use of this simulation was to determine the thermal-oxidation mechanism of DOA. This simulation caused the evolution of thermal products and also caused the process of thermal oxidation of products.

Then, the models of different degradation mechanisms as well as thermal polymerization were determined according to the images recorded in the system. At this time, the various by-products present in the mechanism models were in their transition states, indicating a simulation of the thermal oxidation reaction.

It is interesting to note that in these products, carbon, and oxygen bonds were separated from the DOA compound and converted to free radicals at high temperatures. It should be noted that the entry of free radicals into the human body causes severe damage. These radicals will follow two paths:

  • A free hydrogen radical was adsorbed to form the mono-ether.
  • Carbon dioxide was used for further oxidation and acid formation.

In general, carbon atoms are active and enter into reactions easily. There are strong bonds between two carbon atoms; After breaking this bond, high-temperature free radicals are produced.

At this time, carbon number three in the DOA compound can combine with oxygen to form peroxide groups. Then, the bonds between the two carbon atoms are broken down to produce esters and acids. Peroxides that are small are then oxidized to small alcohols. In thermal products, activated carbon then loses a hydrogen atom to form a free radical.

In addition, small molecular hydroperoxides can be oxidized to alcohols. In this reaction, the carbons of the final polymer products are present and cause the production of free radicals. In polymer products, two free radicals can combine to share electron pairs. In this way, polymer and thermal products can play a role in the production of free radicals.

What was the difference between GC-MS and ReaxFF MD simulation techniques?

The use of ReaxFF MD simulation broke the bonds between carbon and oxygen atoms and the bonds between carbon and carbon atoms. Then we said that the third carbon promotes the formation of peroxide. Activated carbon is then produced, which can generate free radicals.

Polymer products can cause free radicals to pair, it is interesting to know that in this experiment, an oven was used inside an open system. The small molecules then evaporated in the process of heating the compound. So these small molecules cannot be detected using GC-MS.

difference between GC-MS and ReaxFF MD simulation

difference between GC-MS and ReaxFF MD simulation

But in the ReaxFF MD simulation, a closed system was used. For this reason, in the simulation process of the Thermal-oxidation of DOA, the results were recorded quickly and it can be said that the results recorded in the two techniques were different.

Conclusion and summary of Thermal-oxidation of DOA

In this technique of the Thermal-oxidation of DOA, the ReaxFF MD simulation method was used to record the thermal-oxidation mechanism of DOA, and the GC-MS technique was used to analyze and record the final information. We can get the following results from reviewing 3 PETROPROVIDERS articles:

  1. By-products are composed of low molecular weight acids, monoesters, and diesters. But thermal polymer products are composed of carboxylic acids and diesters.
  2. The Thermal-oxidation mechanism of DOA shows that if the bonds between carbon and oxygen, it is a very sensitive place that can change the properties of the material!
  3. TAN for DOA is increased due to the production of low molecular weight acids and monoesters. It is interesting to know that the tribological properties of the material also improve after oxidation. In addition, the effectiveness of this material was limited after the production of by-products as well as polymer products.
  4. It has been shown that free radicals can be produced by activated carbon.

What do you think about Thermal-oxidation of DOA? Were we able to tell you useful information in these 3 articles? Will recording information and detecting the mechanism of DOA oxidation increase the efficiency of reactions? In the comments section, you can share your comments with us. To buy the best Iran DOA, you can contact us.


Can carbon be activated?

Yes! After DOA oxidation, we saw that the carbons were activated after the loss of the bond and produced free radicals.

What are the most important applications of DOA in the industry?

This material is used for the production of plastic products, PVC softeners, all kinds of car parts, all kinds of aircraft parts, etc.

How to buy the best dioctyl adipate?

To buy the best DOA, you can contact our experts.

How are Thermal-oxidation reactions of DOA performed?

These reactions are performed and recorded using various ReaxFF MD simulation and GC-MS technique