Selective Adsorption of CO₂ from Light Gas Mixtures by Using a Structurally Dynamic Porous Coordination Polymer

Abstract

This technical effort was performed in support of the National Energy Technology Laboratory's ongoing research in CO2 capture under the RDS contract DE-FE0004000. Reference in this work to any specific commercial product is to facilitate understanding and does not necessarily imply endorsement by the United States Department of Energy. Certain commercial materials and equipment are identified in this paper only to specify adequately the experimental procedure. In no case does such identification imply recommendation by NIST nor does it imply that the material or equipment identified is necessarily the best available for this purpose. This work utilized neutron scattering facilities supported in part by the National Science Foundation under Agreement No. DMR-0454672. The authors would like to acknowledge Juscelino Leao, Wendy Queen, and Craig Brown of the NIST Center for Neutron Research and Martin Green of NIST Ceramics Division for their valuable technical discussions and contributions.

Crystallography of Representative MOFs Based on Pillared Cyanonickelate (PICNIC) Architecture

“…Tanaka et al [55] found that kinetics plays an important role in the gate-opening process in a flexible porous coordination polymer, {[Cd(benzophenone-4,4'-dicarboxylate)(4,4'-bipyridyl)]} n . Kauffman et al [56] confirmed selective adsorption of CO 2 from light gas mixture from the structural transition in the structurally dynamic porous coordination polymer, catena-bis(dibenzoylmethanato)-4,4'-bipyridyl)Ni(II), referred to as "Ni-DBMBpy" [57]. …”

“…In recent years, National Energy and Technology Laboratory (NETL) has been one of the leading laboratories in the area of science and engineering research of novel Ni(CN) 4 -based flexible MOFs [56,[61][62][63][64][65]. The precursors of these flexible MOFs are typically a cyanometallate complex that acts as a ligand and a transition metal complex with available coordination sites.…”

“…These compounds undergo cooperative spin transitions at high temperatures, and the host-guest interactions inside the pores have considerable effects on the spin crossover properties of these materials. Agusti et al [60] In recent years, National Energy and Technology Laboratory (NETL) has been one of the leading laboratories in the area of science and engineering research of novel Ni(CN)4-based flexible MOFs [56,[61][62][63][64][65]. The precursors of these flexible MOFs are typically a cyanometallate complex that acts as a ligand and a transition metal complex with available coordination sites.…”

Flexible metal-organic framework compounds: In situ studies for selective CO2 capture

“…[77] Elsewhere, single-crystal XRD has been combined with powder XRD to achieve a priori structure determinations of NiBpene. [78] Here, using in situ SANS and ND measurements with a gas-pressure cell, we seek new insights into these dynamic structured materials that would help advance the development of new gas separation compounds.…”

“…These measurements elucidate the role of structure on the selective adsorption recently documented for the NiDBMBPy system [77]. Since the adsorption of guests in the structure is known to stabilize the open pore network,[30-33,42-49,90,91] different guests can be expected to show discernible structural differences when adsorbed into the pore system.…”