Environmental Sustainability
Our mission is to develop and promote open source cutting-edge generative AI technologies for environmental sustainability.

Generative AI for
Consortium
Sustainable Technology
Fields of Focus
Goals
  • AI model benchmarking

  • Data Sharing
  • Knowledge exchange
What is
CO2 Capture
CO2 capture is a collection of technologies that can minimize CO2 emission generated from manmade sources such as burning fossil fuels before it is released to the atmosphere. Scientists are also considering direct air capture (DAC) where CO2 can be removed from the air using a series of chemical or physical process.

Fossil fuel-related carbon emission, especially in the power plants, takes the main part in overall CO2 emission, and thus two key carbon capture technologies (pre-combustion and post-combustion) are being developed. In addition, various sectors of economy such as agriculture and chemical industry release CO2 to the air significantly, and thus CO2 capture technologies tailored for these areas are also needed.
Why is CO2 Capture important
  • Human activities release more CO2 into the air than the natural processes can remove.

    The global average CO2 concentration in the air reaches 419.3 parts per million, that is 50% higher than it was before the industry revolution.
  • CO2 is earth’s most important greenhouse gas that absorbs and radiates heat. Adding more CO2 to the air causes global temperature to rise.

    Earth’s average surface temperature in 2023 was 1.36 degrees Celsius warmer since recordkeeping began in 1880. Science evidence shows that human activity is the main cause of CO2 concentration increase and the current climate change.
  • World leaders and policymakers are increasing mandating the incorporation of carbon capture technologies into various processes.

    The aim is to tackle climate change that is increasing the risk of extreme weather and rising sea levels, and affects food production, and biodiversity.
Technologies to Capture CO2
  • Amine
    Scrubbing
    Amine scrubbing allows CO2 to be dissolved in amine solutions after the acid-base reaction between the CO2 and the amine. Scientists are designing new amines that require less energy for the solvent regeneration.
  • Adsorption using MOFs and COFs
    Metal-organic frameworks (MOFs) and covalent organic frameworks (COFs) are porous crystalline materials that molecular building blocks are linked into predetermined structures by strong bonds. Ultrahigh porosity of the materials (up to 7000 m2 per gram) and strategically designed CO2-binding sites in the pores allow high CO2 adsorption capacity at relatively low pressure. Precise structures of MOFs and COFs are also an ideal platform to integrate with AI technology to develop groundbreaking porous materials.
  • Hybrid
    Materials
    Scientists are also searching for new electrochemistry, membrane technology, and biochemistry to capture CO2 from the flue gas or directly from the air.
Future Directions
Artificial intelligence is revolutionizing the process of materials research and development.
With the help of AI, materials with higher CO2 adsorption capacity and selectivity
can be quickly targeted. What can AI offer:
  • Find the best building units, interaction groups, and structure topology of frameworks for CO2 Capture.
    01
  • Design synthetic route
    of the new material.
    02
  • Evaluate the material performance based on various parameters.
    03
  • Management of the whole research scheme.
    04
  • Hybrid materials that combine the high working capacity of scrubbing method and economic advantage of adsorption materials are desired.
    05
  • New chemical engineering design is needed to implement the technology into various sites.
    06
Areas of Impact
Power Plants
Sustainable Agriculture
Oil Refinery
What is
H2 storage
and why it is important
Hydrogen is an ideal clean energy source because its sole product after combustion is H2O and no greenhouse gases or environmentally harmful compounds are released. H2 is of particular interests in automotive applications because it is a zero-emission fuel, abundantly available, and, when liquefied, has triple the energy density of gasoline. A full system based on H2 involves its production, delivery, and storage, as well as the fuel cell technology. Among them, H2 storage play a key role in this development.

The inherent volatility of H2 at ambient conditions poses significant challenges for its physical storage in pressurized tanks, which typically offer only modest volumetric energy densities. To enhance the practicality of H2 as a fuel for daily use, there is a pressing need for the development of low-cost, lightweight materials that are capable of reversible hydrogen uptake and storage densities greater than that of liquid hydrogen.
Technologies to store H2
  • Cryogenic
    Storage
    H2 can be liquified at low temperature and high pressure. Liquid hydrogen has been used by NASA to propel space shuttles into orbit and today some vehicles have been running on pressurized hydrogen. However, cryogenic storage of H2 is accompanied by high operational costs and an increased weight of the cryogenic tanks.
  • Chemical Storage Materials
    Chemical storage materials could form chemical bonds with hydrogen, and thus H2 can be stored in a chemical way. Metal hydrides, boranes, or imidazolium ionic liquids have been extensively studied for this purpose. However, since chemical bond association and dissociation are involved in the adsorption and desorption process, this technology usually suffers from slow kinetics. Possible contaminations in H2 would also quickly deactivate the materials, affecting its cyclability.
  • Physical Storage Materials
    Without chemical bond formation, physical storage materials that can effectively adsorb hydrogen at relatively low pressures and under non-extreme temperature conditions. Metal-organic frameworks (MOFs) combine high surface areas, low densities, and facile functionalization, thus allowing for the development of storage materials with high gravimetric and volumetric H2 uptake. However, its storage capacity still needs further improvement.
Future Directions
The US Department of Energy (DOE) 2025 targets for hydrogen storage systems are a gravimetric uptake of 0.055 kg(H2) kg−1 and a volumetric capacity of 0.04 kg(H2) L−1, while retaining short refueling times and high cycling stability at operating temperatures between -40 and 60°C. Scientists are still working on different schemes to meet this target.
With the help of Artificial intelligence, MOF materials with higher H2 adsorption capacity are strong candidates to meet this 2025 target and the long term goal (a gravimetric uptake of 0.065 kg(H2) kg−1 and a volumetric capacity of 0.05 kg(H2) L−1).
What can AI offer:
  • Systematically calculation on the heat of H2 adsorption for MOF materials as a strong indicator for MOF–H2 interaction.
    01
  • Pore engineering (size, shape, connectivity, and metal sequence and distribution) of the materials for enhanced H2 gravimetric and volumetric density.
    02
  • Find the best building units and the consequent synthetic route of the new material.
    03
  • Management of the whole research scheme.
    04
What is
Agrochemistry
Agrochemistry is a branch of chemistry that focuses on the study and application of chemical processes and products in agriculture. This field encompasses a wide range of topics, including the development and use of fertilizers, pesticides, herbicides, and plant growth controllers to enhance crop production and protect plants from pests and diseases. Agrochemists work to understand the interactions between these chemicals and the environment, aiming to improve the efficiency and sustainability of agricultural practices. By studying the chemical properties and reactions of substances used in farming, agrochemistry helps optimize the growth and health of crops while minimizing the negative impacts on the ecosystem.

Agrochemistry integrates principles from organic chemistry, biochemistry, and environmental science to develop innovative solutions for the agricultural industry. By advancing the understanding of how chemical inputs affect agricultural systems, agrochemistry plays a crucial role in meeting the growing global demand for food in a sustainable and environmentally responsible manner.
Why is Agrochemistry important
  • Agrochemistry is important because it plays a pivotal role in enhancing agricultural productivity and sustainability.

    By understanding and applying chemical principles to agriculture, agrochemistsdevelop fertilizers that supply essential nutrients to crops, thereby increasing yield and improving the quality of food produced. Agrochemistry also involves creating pesticides and herbicides that protect crops from pests and weeds, reducing losses and ensuring a more stable food supply.
  • Moreover, agrochemistry is vital for environmental protection and sustainable agriculture.

    It focuses on developing eco-friendly and biodegradable agricultural chemicals that minimize harm to the ecosystem. By studying the interactions between agricultural chemicals and the environment, agrochemists work to reduce pollution and mitigate the negative impacts of farming on soil, water, and air quality.
  • In this way, agrochemistry contributes to creating sustainable farming systems that not only produce sufficient food but also preserve and protect natural resources for future generations.

Technologies to enhance Agrochemistry
  • Weeds control and
    plant growth regulators improvement
    Herbicides are used to control or eliminate weeds, that compete with crops for resources such as sunlight, water, and nutrients. They play a crucial role in modern agriculture by improving crop yields, reducing labor costs, and enhancing the efficiency of farming operations. On the other hand, selective plant growth regulators can be extremely efficient for enhancing agriculture outcomes.
  • Pesticides Development
    Pesticides are the chemicals that are essential for ensuring the protection of crops from pests, diseases, and insects that can significantly reduce agricultural productivity and food quality. The advancement of safe pesticides including insecticides helps to secure a stable and sufficient food supply by minimizing crop losses, while also focusing on creating safer, more effective, and environmentally friendly pest control solutions.
  • Fertilizers Enhancement
    The advancement of fertilizers helps in maximizing agricultural output, ensuring food security, and promoting sustainable farming practices by reducing the need for excessive chemical inputs.
Future Directions
Artificial intelligence is playing a crucial role in revolutionizing agrochemicals design and development. Using AI scientists can provide better and safer herbicides, pesticides, plant growth regulators and fertilizers. What can AI offer:
  • Predict properties of molecules related to agrochemistry more accurately.
    01
  • Generate novel and safe agrochemicals with the required profile including higher estimated synthesizability.
    02
  • Design synthetic route of the new agrochemical.
    03
  • Management of the whole agrochemicals DSTA cycle.
    04
Areas of Impact
Crop
Production
Pest and Disease Control
Soil
Health
Environmental Protection
Animal
Nutrition
Food
Safety
What are
Lubricants

Lubricants are substances that are applied to surfaces in mutual contact, to minimize friction and wear between them. Different types of lubricants work through various mechanisms to ensure the efficient, reliable, and long-lasting operation of machinery and mechanical systems.


Improved lubrication leads to smoother operation, lower maintenance needs, and better overall performance of machines and systems. Lubricants protect surfaces from direct contact, extending the lifespan of machinery components. They minimize friction between moving parts, enhancing efficiency and reducing energy consumption.

Why are New Lubricants important
  • The search for new lubricants is critical to improve efficiency, extend machinery lifespan, reduce maintenance costs, and meet environmental regulations.

    Advanced lubricants can enhance performance, support sustainability goals, and adapt to evolving technological demands across various industries.
  • The production of lubricants involves multiple stages,

    each employing specific technologies and processes to ensure the final product meets the desired specifications.
  • The molecular design of lubricants is a high-tech, multi-disciplinary process that bridges chemistry, material science, and engineering.

    This process not only improves the efficiency and longevity of machines but also addresses environmental and regulatory concerns.
Types of Lubricants
  • Liquid

    These are the most common types and include oils made from petrochemicals, synthetic compounds, and natural sources. They are widely used in applications like engines, hydraulic systems, and industrial machinery.

  • Greases

    These are semi-solid lubricants formed by mixing oils with thickening agents. They are used in situations where liquid lubricants would easily wash away or in elements that require a thicker layer of lubricant. Common uses include wheel bearings and chassis lubrication.

  • Solid Lubricants
    Materials like graphite, molybdenum disulfide, and some types of polymers. These are used in extreme conditions where liquid lubricants would evaporate or freeze, such as in space applications or high-temperature environments.
Future Directions

Artificial intelligence is revolutionizing the process of materials research and development.


What can AI offer:

  • Propose new molecular structures or additive packages that meet specific criteria.
    01
  • Help in balancing multiple performance factors in a lubricant formulation.
    02
  • Evaluate the material performance based on various parameters.
    03
  • Management of the whole research scheme.
    04
  • The most wanted lubricants are those that offer superior performance, meet specific industry requirements, and comply with environmental regulations.

    05

Areas of Impact

Lubricants have a broad range of impacts across multiple industries and sectors due to their critical role in reducing friction, wear, and heat in mechanical systems.

Automotive Industry
Industrial Machinery
Aerospace Industry
Renewable
Energy
Food and Beverage Industry
Agriculture
Construction and Heavy Equipment
Consortium Members
  • Alán
 Aspuru-Guzik
    Professor
    University of Toronto
  • Zafar Said
    Associate Professor

    University of Sharjah
  • Qiaowei Li
    Professor of Chemistry

    Fudan University

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