Thats a unique idea.You should consider the following idea to enhance your idea so that it would impact uniquely: The separation of mixtures of volatile molecules presents a critical issue in the clean use of existing fuels and in the generation of alternative fuels. In particular separation of CO2 is at present one of the mayor barriers for large scale CO2 sequestration. For example, the conventional technology for capturing CO2 from the effluent stream of a por plant may require as much as 25% of the electricity being produced. In this presentation an overview will be given on the activities on carbon capture the Energy Frontier Research Center (EFRC) in Berkeley.   In this presentation  describe how computational techniques can be used to screen novel materials for carbon capture. Our starting point is the question how to define the optimal material.  introduce the concept of parasitic energy as a metric to compare different materials; the best material is the material that minimizes the loss of efficiency of a por plant. To compute this parasitic energy one need information on the mixture isotherms of the various components of flue gasses.  show how quantum chemical calculations can be used to predict the adsorption energies. In addition,  show how these calculations can be used to develop a force field that allows us to predict the adsorption properties.  will apply these methods for materials for which experimental data is lacking, or for materials that have not yet been synthesized.
['Berend Smit']
I am writing a research paper on a idea Computational carbon capture
[{"from": "human", "value": "I am writing a research paper on a idea Computational carbon capture"}, {"from": "gpt", "value": "Thats a unique idea.You should consider the following idea to enhance your idea so that it would impact uniquely: The separation of mixtures of volatile molecules presents a critical issue in the clean use of existing fuels and in the generation of alternative fuels. In particular separation of CO2 is at present one of the mayor barriers for large scale CO2 sequestration. For example, the conventional technology for capturing CO2 from the effluent stream of a por plant may require as much as 25% of the electricity being produced. In this presentation an overview will be given on the activities on carbon capture the Energy Frontier Research Center (EFRC) in Berkeley.   In this presentation  describe how computational techniques can be used to screen novel materials for carbon capture. Our starting point is the question how to define the optimal material.  introduce the concept of parasitic energy as a metric to compare different materials; the best material is the material that minimizes the loss of efficiency of a por plant. To compute this parasitic energy one need information on the mixture isotherms of the various components of flue gasses.  show how quantum chemical calculations can be used to predict the adsorption energies. In addition,  show how these calculations can be used to develop a force field that allows us to predict the adsorption properties.  will apply these methods for materials for which experimental data is lacking, or for materials that have not yet been synthesized."}]