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Computer Applications in Chemical Engineering

Computer Applications in Chemical Engineering

Information technology and computer science have impacted almost everything in our life, from entertainment and communication to industries and engineering. So, chemical engineering has been one of the areas impacted by computer science. This impact finds its way to everything in the field of chemistry; therefor, algorithms have the ability to determine the nature of the chemical reaction, the catalysts, the degree of concentration, and the required temperature. Rather, computer applications can simulate chemical reactions and predict what will happen virtually and provide simulation models for chemical engineering students. Therefore, using computer science in the field of chemical engineering has many advantages for such fields since it provides applications for simulating chemical processes, optimizes product quality, and improves safety.

Advantages of Computer Applications in Chemical Engineering:

Advantage #1: The Simulation of the Chemical Processes:

Computer science provides hundreds of simulation software applications for chemical engineering that could imitate the real chemical reactions. These software applications allow engineers to generate virtual chemical reactions with unlimited models of temperature, concentration, and pressure. Also, it could be used in colleges and schools to help students understand the nature and of chemical reactions. 

 Wang et al. (2018) asserted on this point by saying that many heats and mass transfer of chemical reactions could be exhibited and simulated numerically by software, which helps students in classrooms and chemists who can use it to evaluate performance, intensify process or optimize parameters. In other words, computer simulation not only provides engineers and chemists with effective tools for process controlling, modeling, and optimization, but also can play a key role in education by providing interactive simulation tools that improve students’ assimilation of difficult chemical topics.

Advantage #2: Dealing with Various Problems through Software:

Further, there are other simulation software applications that can help in chemical product designing. Such software uses developed programmed strategies and algorithms to suggest the efficient chemical design of a product. Kalakul, Cignitti, Zhang, and Gani (2016) explained this point by saying that computer-aided software for chemical product design can deal with the various problems of product design phases by using databases, models, templates, calculation algorithms, and many problems solving techniques. 

Hence, simulation software not only helps chemical engineers to improve their products and achieve the optimum chemical design but also saving costs, time, and efforts needed to develop a product. As can be seen, computer simulation software plays a key role in the development of chemical engineering by providing revolutionary solutions to deal with the traditional problems of chemistry.

Advantage #3: Optimizing Product Quality:

Moreover, software application plays a great role in optimizing product quality. Computer science brings applications that can solve the challenging problems in chemical engineering since it uses numerical analysis to achieve the optimal values of components in a product. Gutiérrez-Guerra, Murrieta-Dueñas, Cortéz-González, Hernández-Aguirre, and Segovia-Hernández (2013) stated that applying optimization methodology based on genetic algorithms on the MatLap application reduces the capital cost significantly and increases the energy-saving and thermodynamic efficiency. 

So, computer science opened the way for many potential advantages, which may reshape the field of chemical engineering. For example, it can reduce the energy consumption in factories, hence, reduces costs and increases profits. In addition, the efficient use of energy can decrease industrial emission, which mitigates the impact of pollution.

Advantage #4: Producing Composite Materials with Distinct Properties:

From another aspect, chemical engineering uses computer science to generate composite materials that can be used efficiently in the industry with distinct properties. Most of these engineered materials are cheaper than metals and the other counterparts and became widely adopted in many industries. Kalakul, Cignitti, Zhang, and Gani (2016) described this point by saying that computer-aided molecular design (CAMD) is used to design polymers, solvents, and many other industrial materials. 

Consequently, Computer science may play a key role in optimizing product quality by adding distinctive properties to material that allows engineers to design advanced products. For example, the emergence of polymers was a turning point for many industries such as automotive, medical and military because it provided features that were not present in other raw materials that include such as low price, flexibility, hardness, and shock resistance.

Advantage #5: Reducing Industrial Environments Risks:

Another significant advantage is improving safety and reducing risks in industrial environments. Today, the software applications can analyze chemical aqueous mediums to understand the best way to treat this medium or to separate its components. Tundo, Perosa, and Zecchini (2010) explained this idea by saying that computer simulation could help in understanding the role of aqueous reaction in organic transformations. 

So, computer science can help in the treatment of industrial waste, which improves safety in industrial environments and reduces the risk of environmental pollution. Also, this approach can help in water purification by understanding the behaviors of the chemical pollutants in water resources.

Advantage #6: Managing and Controlling Solid Waste:

In the same way, computer science and information technology can play a vital role in managing and controlling solid waste by providing software application that store data and analyze it to find the perfect approach to treat this waste. Hannan, Abdulla Al Mamun, Hussain, Basri, and Begum (2015) stated that Information technology brings an effective method to address solid waste management (SWM) because it allows accessing instant information anywhere and anytime. 

Consequently, computer science and information technology provide effective methods in waste control and pollution preventing, which improves safety. Hence, chemical engineering can use computer science to reduce the hazards of toxicity by eliminating any chemical material that produces toxic wastes.


To sum up, computer science can bring many important advantages for chemical engineering. Firstly, it produced hundreds of software applications that simulate real chemical reactions, which became effective tools for process controlling, modeling, and optimization. Secondly, computer science applications help chemical engineers in achieving the perfect components for production.

Hence, it improves product quality. Thirdly, improving safety and reduces risks in industrial environments since it can be used in treating water waste and solid waste and reducing toxicity, which enhances safety in the industrial locations. In short, the integration between computer science and chemical engineering can bring innovative solutions and applications for many fields and can pave the path for the emerging of new technologies and industries such as prosthetic devices industries and 3D printers, which depend on the materials produced by chemical engineering and computer science.

Computer Applications in Chemical Engineering

Ali Badr
By : Ali Badr
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