The chemical industry is always looking for opportunities to produce necessary commodity chemicals and convert them into high value-added chemical products.
The development of these chemical-based products includes not only their design and/or selection, but also their sustainable manufacturing, sales and disposal as waste through appropriate chemical processes.
This article mainly considers computer-aided methods and tools applicable to chemical-based product development.
The advantage of computer-aided design methods and tools is that it can quickly identify promising candidates, and then conduct further investigation and verification through concentrated experiment-based techniques to obtain the final optimal design.
The disadvantage of using these models and/or data-based methods is that their scope of application is limited to the available models, data, and knowledge related to currently known products.
Another complexity to consider is the multi-scale and multi-disciplinary nature of chemical-based product design issues.
Therefore, in order to find new and innovative chemical-based products, systematic computer-aided methods and tools that can manage this complexity are necessary.
This article introduces the cutting-edge issues in the design and application of chemical product systems based on models and/or data.
A brief review of various computer-aided design methods and tools based on experiment, knowledge, rule and model.
The challenges and opportunities of computer-aided chemical product design are discussed.
Solution providers: These companies will change their approach and pay more attention to market needs, but this type of company may also include companies from the digital field.
Companies should assess where they are on the chemical multiverse map today to understand the necessary strategic changes they can make to put themselves on the path to lasting success.