Green chemistry AI innovations and Machine learning transforming the future of chemical industry

Vinodhini Harish

17 Sep 2024

Introduction:

Imagine telling someone in the 1980s that the chemical industry which was known for pollution and harmful waste would one day lead the way in helping save the planet. They’d probably laugh at you or ask if you have been inhaling too many chemical fumes. Fast forward to today, this modern era, where we have AI and machine learning to optimize chemical production, green chemistry to clean up the mess and blockchain technology to track every molecule. In this article, we are exploring some of those advancements in the chemical industry and we are sure the article is going to excite you. Let’s begin.

Inventive approach in the discovery and development of new chemical compounds:

There have been several trial and error methods and other methods that are expensive in the process of developing new chemical compounds. But with the advent of technologies like artificial intelligence, machine learning, big data analytics and others, we have taken effective routes in terms of finding the optimal synthetic routes, predicting the potential hazards, estimating the cost of materials and others. Some of the technologies like green chemistry, carbon capture, and bio-based materials are making significant strides towards reducing the impact on the environment and reversing the decades of pollution.  They have accelerated and refined these processes and pushed the boundaries. Let’s explore how these technologies are integrated into these complex processes.

Optimization of synthetic routes with AI:
 
  • AI-driven reaction prediction: The technology has helped in analyzing large data sets of chemical reactions to predict the most efficient synthetic pathways for creating novel compounds. The algorithms suggest optimal reaction conditions such as temperature, solvents, catalysts and other conditions thereby reducing trial and error in the lab.
     
  • Retrosynthesis analysis: the machine learning algorithms perform a technique called as retrosynthesis that involves how a molecule can be synthesized from simpler building blocks. The tools are very handy in discovering novel routes that may not be obvious from conventional methods.
     
  • Automated lab systems: Robotics, AI-enabled laboratory setups automate the execution of synthetic routes speeding up the process of testing multiple pathways in parallel. The technology integrates robotics, artificial intelligence, machine learning and advanced software platforms that are revolutionizing the chemical industry. The technologies help in streamlining chemical processes such as synthesis, analysis, and testing. This led to faster and more efficient R&D.

For instance, Robotic arms and devices are used to automate repetitive manual tasks like mixing, measuring and dispensing chemicals. This eliminates the possibility of human errors and ensures precision in every experiment.

Automated lab systems also help in parallel synthesis, the robotics can carry out multiple experiments and chemical reactions in parallel thereby allowing the researchers to test several synthetic routes or material properties simultaneously. This accentuates the process of optimization in chemical synthesis and thereby cuts down the material costs.

Automation in lab systems helps in high throughput screening and thousands of compounds are tested in a short time, identifying optimal candidates for further research.

AI-Driven platforms:
 
  • AL algorithms analyze the outcomes of varied experiments and recommend the best reaction conditions and synthetic routes. Therefore, the researchers can learn from every experiment to improve future predictions optimize the yield and reduce waste.
     
  • AI monitors are deployed in the synthesizing labs and they help monitor this equipment for wear and tear, schedule maintenance before a breakdown occurs, reduce downtime, and enhance efficiency.
     
  • These AI systems analyze real-time data and automate decisions during experiments. If the AI systems encounter signs of failure then they adjust parameters and move on to the next set of tests without human intervention.

Consider how automated systems helped these giant industrial leaders:
 
  • TATA Chemicals has invested heavily in automated lab systems and that helped them in improving R &D processes, especially in optimizing chemical reactions and material synthesis. The systems help in the faster development of new chemicals with lesser environmental impact.
     
  • UPL Ltd. is a major agrochemical and crop protection company in India and the company has helped in leveraging advanced technologies such as AI, robotics, and automation systems to enhance their R &D capabilities. They use AI-based platforms to predict the efficacy and toxicity of the new agrochemical formulations and this has reduced the necessity of extensive field trials and allowed quicker adjustments to the formulations thereby bringing them to the market.
     
  • Reliance Industries is considered a giant in the Indian petrochemical industry and they have displayed an extensive portfolio spanning polymers, chemicals, and synthetic fibres. They have also deployed cutting-edge- automation and digital technologies to drive efficiency in the chemical manufacturing processes. They have deployed automated systems in their production processes in their petrochemical plants and that includes real-time monitoring and control of reactions. With AI and machine learning systems, they cut down a long series of predicting process inefficiencies and optimizing energy usage.
     
  • SRF Limited is considered a giant as well and is known for its diversified chemical production in India, which primarily focuses on specialty chemicals, technical textiles, and packaging films. They have integrated automation and digital technologies to enhance their R&D and manufacturing processes. The robotics and automation set up in their specialty chemicals division streamlines their production processes and ensures precise control over their reactions and formulations.

AI-enabled systems monitor quality at every step of the manufacturing process and reduce the chances of letting out products with defects to the packaging sector thereby optimizing the product yield.

Therefore SRF Limited has claimed that their production costs are reduced as they have reduced the wastage during the production and increased the operational efficiency.

Aarthi Industries is one of the key players in Indian chemical industries which is known for its intermediates for pharmaceuticals, agrochemicals and polymers. They have been deeply involved in improving sustainability, and automation to stay competitive in the market. Therefore they have integrated automated systems in their production lines all over India. Their major plants are situated in Gujarat and Maharashtra. They have reported a significant rise in the net profit for the quarter ending June 2024. Their consolidated net profit increased by 96% from INR 137 crore to INR 70 crore during the same period in 2023. [ChemAnalyst]

Their sales grew by 31% annually and reached INR 1855 crore in June 2024 and this growth is primarily driven by the increased production volumes that are geared up with automation. Additionally, the increasing demand for key products such as nitrochlorobenzene (NCB) has also contributed to their financial achievement.

The advent of “safe and sustainable-by-design” chemicals:

The intent of the “Safe and sustainable-by-design” chemicals is to prioritize human health, environmental protection and circular economy principles. The approach is backed by innovative design, green chemistry and life-cycle thinking. Some of their principles include:

Safety designing: The safety designing is planned in order to minimize the hazards and risks right from the stage of molecular design.

Sustainability: Reducing the environmental footprint, utilizing renewable resources at the maximum level, and promoting recyclability.

Circular economy: Designing chemicals for reuse, recycling and incorporating biodegradability.

Industrial impact due to the advent of SSbD chemicals:

The chemicals are termed safer chemicals and they have reduced the toxicity level and minimized the harm to humans and the environment.
The optimized production processes have reduced waste generation and energy consumption.

Some of the new business models have encouraged product-as-a-service, the companies share economies, and chemical leasing and they are focusing on the products-as-a-service. Therefore the chemicals produced are aligned with the regulatory compliances that are emerging such as the EU’s chemicals strategy for sustainability.

Similarly, the approach encourages R&D in green chemistry, biotechnology and nanotechnology.

There are significant challenges in incorporating these technologies and advancements across the country, however, the outlook of the chemical industry in 2024 points out opportunities that arise from the energy transition. These advancements are backed by investments from the private sector which is about USD 88 billion in clean energy manufacturing.

The chemical industry is driven to meet the sustainability goals with more than 75% of all the emission reduction technologies and aiming to reduce the net-zero goals by 2050. The significant growth of clean energy manufacturing practices is expected to stimulate the demand for certain chemicals and materials in the upcoming years.

Some of the important examples that are driving the growth of the chemical industry include:

Bio-degradable plastics: these plastics are made from renewable biomass sources such as corn starch, sugarcane and cellulose and they reduce plastic waste. These are designed to break down quickly and safely when compared to conventional plastics and therefore they are environmentally friendly. The breakdown process is generally carried out using microbial activity and has reduced the accumulation of plastic waste in landfills and oceans. During the degradation process also, they don’t release harmful chemicals.

However, there are some downsides to these bio-degradable plastics. They require specific industrial composting conditions for the breakdown process and they can contaminate conventional plastic recycling streams if they are not properly managed.

Plant-based surfactants:

The plant-based surfactants are derived from natural sources and they replace petroleum-based surfactants. The surfactants are used in detergents, shampoos and cleaners they reduce the surface tension and thereby improve the cleaning process. The plant-based surfactants are renewable materials and they replace synthetic and often non-renewable, petroleum-derived surfactants.

Some of the common plant-based surfactants include Alkyl poly glucosides and methyl ester sulfonates that are derived from glucose and fatty acids.

Some of the challenges in using these plant-based surfactants include the scaling production of plant-based surfactants without leading to deforestation or other environmental issues such as the sourcing of crops like palm oil.

For instance, Godrej Industries is considered as a giant in the consumer goods and chemical sector, they have made significant strides in using plant-based surfactants. They primarily focus on the development of oleochemicals derived from renewable vegetable oils such as coconut oils and palm oils.

Tata Chemicals have been expanding its portfolio towards sustainable chemicals and they are intensively focusing on bio-based products and they use plant-based feedstocks to create non-toxic and biodegradable surfactants. They are barging into the green chemicals as part of a broader commitment to reducing carbon emissions and advancing the circular economy.

Galaxy Surfactants is known as a leading supplier of specialty chemicals to the personal and home care industry in India. They have pioneered in developing plant-based surfactants and they have also developed a wide range of bio-based surfactants that are derived from renewable resources like coconut oil and palm kernel oil. They offer mild surfactants or green surfactants in their product range that include Sodium Cocoyl isethionate and Sodium Lauryl Sulfate which are derived from natural fats and oils. They have also taken part in the RSPO (Roundtable on Sustainable Palm Oil) initiative to ensure their responsible sourcing of palm oil.

Low-VOC coatings:

Volatile organic compounds are chemicals that evaporate easily at room temperature and thereby cause air pollution and health issues such as headaches, and respiratory problems. The Low VOC coatings are formulated to contain a minimal quantity of VOCs thereby reducing harmful emissions during the application and drying.

The low VOC coatings have improved in terms of indoor air pollution and thereby improved the indoor air quality and thereby minimized the health risks of both the users and professionals in the construction and painting department.

Although these coatings slightly differ in their performance characteristics such as drying duration and durability, they don’t perform like conventional VOC coatings. However, the advancements in the formulation are continuously improving.

Sustainable solvents:

The sustainable solvents are used in industrial processes such as cleaning, manufacturing chemicals and pharmaceuticals. Traditional solvents like acetone and methylene chloride are hazardous and they contribute to toxic emissions and environmental disturbances. The sustainable solvents are bio-based and can be recycled thereby they reduce the environmental and health impacts comparatively.

Some of the commonly used sustainable solvents include Ethyl lactate, they are derived from corn and Limonene which is derived from citrus fruits.

These sustainable solvents are less toxic and biodegradable and since they are derived from renewable resources, they are considered environmentally friendly solvents and they can also be reused in the industrial processes further reducing waste.

The primary challenge in utilizing these sustainable solvents is that not all of them are suitable for all industrial purposes, some of them are expensive and some of them might be less effective for certain industrial processes. Therefore majority of the chemical companies stick to conventional solvents for such industrial processes.

The path towards sustainability and improvements is clear…

Each of these SSbD chemicals and the categories explained in the article offers a path toward safer and more sustainable industrial practices and products. The biodegradable plastics address the global plastic waste crisis and the plant-based surfactants reduce the reliance on petroleum-based processes. Similarly, the low-VOC coatings improve air quality and sustainable solvents and thereby decrease the environmental impact of the industrial processes. Since the leading chemical companies have adopted plant-based surfactants and bio-degradable practices, they not only meet consumer demands, but they are also working towards sustainability goals and leading the smaller chemical sectors to follow their path. Overall, these advancements embody the principles of SSbD by prioritizing safety, and sustainability and reducing toxicity from design through their disposal.

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