Kinetic rates and solubilities of carbon dioxide in linear and cyclic polyamine solutions

在加拿大，捕集二氧化碳已被确定为减少温室气体排放的关键措施之一。这在加拿大西部尤其重要，否则《京都议定书》的影响可能会很严重。经济地去除二氧化碳对加拿大煤炭和石油储备的可持续发展也至关重要。全世界都对寻找新的二氧化碳来源以提高石油采收率感兴趣。利用目前的技术，即使二氧化碳可以作为副产品出售（提高石油采收率），二氧化碳的捕获也只有在油价高企时才具有经济吸引力。该研究的首要目标是筛选新的有前途的多胺。这些胺将根据其循环能力和与二氧化碳的反应速率进行测试。所选择的胺应该是比目前用于天然气、石化和发电行业的溶剂要好得多的溶剂。这些胺的主要缺点是它们在水中部分溶解。对这些胺在水和其他可能的物理溶剂（醇、醇等）中的溶解度的研究，将为这一难题提供一些解决办法。尽管胺已经在工业中使用了几十年，但就其与二氧化碳和水的相互作用而言，人们对其了解甚少。溶解度/动力学研究计划的最后一部分涉及二氧化碳，二氧化硫，甲烷和乙烷在selexol®中的溶解度研究，selexol®是一种非常成功的商业物理溶剂混合物。本研究计划的第二个目标是通过测量水溶液的密度、粘度、表面张力来研究这些相互作用，并试图从分子间相互作用的角度来解释结果。计算化学软件也将用于计算这些胺的一些性质，并帮助指导筛选溶解度研究，以节省资金和时间。

Capturing carbon dioxide (CO2) has been identified as one of the key measures for the mitigation of greenhouse gases emissions in Canada. This is especially important in Western Canada where the impacts of the Kyoto protocol could otherwise be severe. The economical removal of carbon dioxide is also vital to the sustainable development of Canada's coal and oil reserves.  There is a worldwide interest in finding new sources of carbon dioxide for enhanced oil recovery. Using present day technology, even when CO2 can be sold as a by-product (enhanced oil recovery), the capture of carbon dioxide is economically attractive only when the oil price is high. The proposed research study has as a first objective to screen new promising polyamines. These amines will be tested in terms of their cyclic capacity and rates of reaction with CO2. The selected amines should be much better solvents than those presently used in the gas, petrochemical, and power generation industries. The main disadvantage of these amines is their partial solubility in water. A study of the solubility of these amines in water and in other potential physical solvents (alcohol, glycols...) should provide some solutions to this dilemma. Even though amines have been used in industry for decades, they remain very poorly understood in terms of their interactions with CO2 and water. The last portion of the solubility/kinetics research proposal deals with a solubility study of carbon dioxide, sulfur dioxide, methane and ethane in selexol®, a very successful commercial mixture of physical solvents. The second objective of this research proposal is to study these interactions by measuring the density, viscosity, surface tension of the aqueous solutions, and try to interpret the results in terms of the intermolecular interactions. A computational chemistry software will also be used to calculate some properties of these amines and help direct the screening solubility study in order to save money and time.