Origins of Negative Gas Adsorption

Evans, Jack D.; Bocquet, Lydéric; Coudert, François‐Xavier

doi:10.1016/j.chempr.2016.11.004

Cited by 125 publications

(182 citation statements)

References 35 publications

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“…[103][104][105] The structural changes in flexible MOFs often have a profound influence on adsorption and can lead to counterintuitive properties such as negative gas adsorption steps. [106][107] The Langmuir model serves as a platform onto which further complexity, such as flexibility, can be integrated.…”

Section: Equation 53mentioning

confidence: 99%

Langmuir’s Theory of Adsorption: A Centennial Review

2019

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The 100 th anniversary of Langmuir's theory of adsorption is a significant landmark for the physical chemistry and chemical engineering communities. Despite its simplicity, the Langmuir adsorption model captures the key physics of molecular interactions at interfaces and laid the foundation for further progress in understanding interfacial phenomena, developing new adsorbent materials, and designing engineering processes. The Langmuir model has had an exceptional impact on diverse fields within the chemical sciences ranging from chemical biology to materials science , an impact that became clearer with the development of modified adsorption theories and continues to be relevant today.

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Section: Equation 53mentioning

confidence: 99%

Langmuir’s Theory of Adsorption: A Centennial Review

2019

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“…Figure 27: The experimental isotherm for DUT-49 for methane adsorption at 111 K and the type 1 isotherm, calculated by simulation, for the static DUT-49 structure (blue and red, respectively). Adapted from [270], with permission from Elsevier.…”

Section: Flexible Mofsmentioning

confidence: 99%

Metal–organic frameworks in Germany: From synthesis to function

Evans

Garai

Reinsch

et al. 2019

Coordination Chemistry Reviews

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107

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Metal-organic frameworks (MOFs) are constructed from a combination of inorganic and organic units to produce materials which display high porosity, among other unique and exciting properties. MOFs have shown promise in many wide ranging applications, such as catalysis and gas separations. In this review, we highlight MOF research conducted by Germany-based research groups. Specifically, we feature approaches for the synthesis of new MOFs, high-throughput MOF production, advanced characterization methods and examples of advanced functions and properties.

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“…The prototypical example of MOF flexibility is the group of MIL-53 materials with co-axial pores arranged in a wine rack motif that undergoes various transitions between “large pore” and “narrow pore” configurations [22, 25, 33]. More recent work has identified a flexible MOF (DUT-49) that exhibits spontaneous desorption during a pressure increase owing to a structural transformation of the MOF from high to low porosity, i.e., “negative gas adsorption” [9, 18]. …”

Section: Introductionmentioning

confidence: 99%

Relationship between pore-size distribution and flexibility of adsorbent materials: statistical mechanics and future material characterization techniques

2017

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Measurement of the pore-size distribution (PSD) via gas adsorption and the so-called “kernel method” is a widely used characterization technique for rigid adsorbents. Yet, standard techniques and analytical equipment are not appropriate to characterize the emerging class of flexible adsorbents that deform in response to the stress imparted by an adsorbate gas, as the PSD is a characteristic of the material that varies with the gas pressure and any other external stresses. Here, we derive the PSD for a flexible adsorbent using statistical mechanics in the osmotic ensemble to draw analogy to the kernel method for rigid materials. The resultant PSD is a function of the ensemble constraints including all imposed stresses and, most importantly, the deformation free energy of the adsorbent material. Consequently, a pressure-dependent PSD is a descriptor of the deformation characteristics of an adsorbent and may be the basis of future material characterization techniques. We discuss how, given a technique for resolving pressure-dependent PSDs, the present statistical mechanical theory could enable a new generation of analytical tools that measure and characterize certain intrinsic material properties of flexible adsorbents via otherwise simple adsorption experiments.

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Origins of Negative Gas Adsorption

Cited by 125 publications

References 35 publications

Langmuir’s Theory of Adsorption: A Centennial Review

Langmuir’s Theory of Adsorption: A Centennial Review

Metal–organic frameworks in Germany: From synthesis to function

Relationship between pore-size distribution and flexibility of adsorbent materials: statistical mechanics and future material characterization techniques

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