title: Quantifying cooperative intermolecular interactions for improved carbon dioxide capture materials

authors: Lane, Joseph R.

subjects: adsorption

abstract: We have optimized the geometry and calculated interaction energies for over 100 different complexes of CO₂ with various combinations of electron accepting (Lewis acid) and electron donating (Lewis base) molecules. We have used the recently developed explicitly correlated coupled cluster singles doubles and perturbative triples [CCSD(T)-F12] methods and the associated VXZ-F12 (where X = D,T,Q) basis sets. We observe only modest changes in the geometric parameters of CO₂ upon complexation, which suggests that the geometry of CO₂  adsorbed in a nanoporous material should be similar to that of CO₂  in gas phase. When CO₂  forms a complex with two Lewis acids via the two electron rich terminal oxygen atoms, the interaction energy is less than twice what would be expected for the same complex involving a single Lewis acid. We consider a series of complexes that exhibit simultaneous CO₂-Lewis acid and CO₂-Lewis base intermolecular interactions, with total interaction energies spanning 14.1–105.9 kJ mol⁻¹. For these cooperative complexes, we find that the total interaction energy is greater than the sum of the interaction energies of the constituent complexes. Furthermore, the intermolecular distances of the cooperative complexes are contracted as compared to the constituent complexes. We suggest that metal-organic-framework or similar nanoporous materials could be designed with adsorption sites specifically tailored for CO₂ to allow cooperative intermolecular interactions, facilitating enhanced CO₂ adsorption.

text: Quantifying cooperative intermolecular interactions for improved carbon dioxide capture materials We have optimized the geometry and calculated interaction energies for over 100 different complexes of CO₂ with various combinations of electron accepting (Lewis acid) and electron donating (Lewis base) molecules. We have used the recently developed explicitly correlated coupled cluster singles doubles and perturbative triples [CCSD(T)-F12] methods and the associated VXZ-F12 (where X = D,T,Q) basis sets. We observe only modest changes in the geometric parameters of CO₂ upon complexation, which suggests that the geometry of CO₂  adsorbed in a nanoporous material should be similar to that of CO₂  in gas phase. When CO₂  forms a complex with two Lewis acids via the two electron rich terminal oxygen atoms, the interaction energy is less than twice what would be expected for the same complex involving a single Lewis acid. We consider a series of complexes that exhibit simultaneous CO₂-Lewis acid and CO₂-Lewis base intermolecular interactions, with total interaction energies spanning 14.1–105.9 kJ mol⁻¹. For these cooperative complexes, we find that the total interaction energy is greater than the sum of the interaction energies of the constituent complexes. Furthermore, the intermolecular distances of the cooperative complexes are contracted as compared to the constituent complexes. We suggest that metal-organic-framework or similar nanoporous materials could be designed with adsorption sites specifically tailored for CO₂ to allow cooperative intermolecular interactions, facilitating enhanced CO₂ adsorption.

year: 2011

title: Book Review: Higher education in East Asia: neoliberalism and the professoriate

authors: Coll, Richard K.

subjects: review

abstract: This article reviews the book : “Higher education in East Asia: neoliberalism and the professoriate,”, edited by Gregory S. Poole and Ya-chen Chen, Rotterdam, Sense Publishers, 2009, 188 pp., US$49 (paperback), ISBN 978-94-6091-126-2

text: Book Review: Higher education in East Asia: neoliberalism and the professoriate This article reviews the book : “Higher education in East Asia: neoliberalism and the professoriate,”, edited by Gregory S. Poole and Ya-chen Chen, Rotterdam, Sense Publishers, 2009, 188 pp., US$49 (paperback), ISBN 978-94-6091-126-2

year: 2010

title: Te Whiuwhiu o te Hau Maori Counselling Certificate Programme: Agency placements and supervision. Summary of and evaluation

authors: Moeke-Pickering, Taima Materangatira

subjects: counselling

abstract: Three major characteristics in determining a potentially successful practicum were identified. Firstly, the importance of determining early on whether an agency can expose the student to the necessary counselling experience that enables students to meet the requirements of the course. Secondly, the importance of exposing students to information that enable them to efficiently achieve practicum placement goals. Thirdly, the need to utilise both reflective and skills based assessment to assess the development of counselling skills, as well as the completion of tasks and duties that are required of students. Further information was gleaned about the research participants' perspectives on supervision procedures, practicum contracts, benefits of having a practicum placement and suggested training areas for the proposed TWH supervision module.

text: Te Whiuwhiu o te Hau Maori Counselling Certificate Programme: Agency placements and supervision. Summary of and evaluation Three major characteristics in determining a potentially successful practicum were identified. Firstly, the importance of determining early on whether an agency can expose the student to the necessary counselling experience that enables students to meet the requirements of the course. Secondly, the importance of exposing students to information that enable them to efficiently achieve practicum placement goals. Thirdly, the need to utilise both reflective and skills based assessment to assess the development of counselling skills, as well as the completion of tasks and duties that are required of students. Further information was gleaned about the research participants' perspectives on supervision procedures, practicum contracts, benefits of having a practicum placement and suggested training areas for the proposed TWH supervision module.

year: 1995-01-01