Methane storage in advanced porous materials

Makal, Trevor A.; Lǐ, Jiànróng; Lü, Weigang; Zhou, Hong‐Cai

doi:10.1039/c2cs35251f

Cited by 752 publications

(592 citation statements)

References 291 publications

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“…the diameter of the largest included sphere 35 ). Figure 6 illustrates DC (35,1) and DC(65,5.8) as a function of D i for all PPNs. The qualitative behavior is very similar to that which we observed for our model PPN.…”

Section: Evaluating Ppns For Methane Storagementioning

confidence: 99%

“…The qualitative behavior is very similar to that which we observed for our model PPN. For DC(65,5.8), the optimal pore diameter is approximately 10 Å and for DC (35,1) slightly lower, around 7 Å. Figure 6 is color-coded by VSA, which illustrates that within materials of a particular pore size, increasing surface area typically improves deliverable capacity.…”

Section: Evaluating Ppns For Methane Storagementioning

confidence: 99%

“…This explains the peak in volumetric uptake which occurs as the gravimetric uptake decreases from that of a free space tank, demonstrating that an optimal compromise exists between volumetric and gravimetric performance. (35,1), which is illustrative of the degree of difficulty inherent in designing materials to exceed this target, and in turn to exceed the more recent ARPA-E target of 315 cm 3 STP (CH 4 )/cm 3 . We pay special attention to the three materials which exhibit DC(35,1) greater than 180 cm 3 STP (CH 4 )/cm 3 , denoted as PPNs A, B, and C. In the SI, 16 these and all other materials are listed by their descriptive names, comprising the A component name, B component identifier, level of interpenetration, and a numerical identifier for disambiguating distinct conformers comprising the same A and B components; in this case, "hPPN_Ge_3939_1-net_002″, "hPPN_C_4633_1-net_001" and "hPPN_C_4080_1-net_001" respectively.…”

Section: Evaluating Ppns For Methane Storagementioning

confidence: 99%

“…Methane has a relatively low energy density (0.036 MJ/L) at ambient conditions, approximately 1200 times lower than that of gasoline (46.4 MJ/L). 1 In order to obtain a satisfactory driving range from a single tank fill-up, a densification process is required. Although compressed natural gas (CNG) is presently in use in some larger vehicles, its utilization has not become widespread due to factors such as (a) infrastructure requirements: the multistage compressors required to pressurize natural gas to 200 bar are large and expensive and (b) tank requirements: CNG tanks, typically thick and heavy-walled, are both expensive and bulky, the latter necessitating their positioning in the rear of a personal vehicle, eliminating valuable space.…”

Section: Introductionmentioning

confidence: 99%

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In silico Design of Porous Polymer Networks: High-Throughput Screening for Methane Storage Materials

et al. 2014

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Porous polymer networks (PPNs) are a class of advanced porous materials that combine the advantages of cheap and stable polymers with the high surface areas and tunable chemistry of metal−organic frameworks. They are of particular interest for gas separation or storage applications, for instance, as methane adsorbents for a vehicular natural gas tank or other portable applications. PPNs are self-assembled from distinct building units; here, we utilize commercially available chemical fragments and two experimentally known synthetic routes to design in silico a large database of synthetically realistic PPN materials. All structures from our database of 18,000 materials have been relaxed with semiempirical electronic structure methods and characterized with Grand-canonical Monte Carlo simulations for methane uptake and deliverable (working) capacity. A number of novel structure−property relationships that govern methane storage performance were identified. The relationships are translated into experimental guidelines to realize the ideal PPN structure. We found that cooperative methane−methane attractions were present in all of the best-performing materials, highlighting the importance of guest interaction in the design of optimal materials for methane storage.

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Section: Evaluating Ppns For Methane Storagementioning

confidence: 99%

Section: Evaluating Ppns For Methane Storagementioning

confidence: 99%

Section: Evaluating Ppns For Methane Storagementioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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In silico Design of Porous Polymer Networks: High-Throughput Screening for Methane Storage Materials

et al. 2014

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“…Over the past two decades, MOFs have attracted extensive interest for their great potential in many applications such as gas separation/storage,11, 12, 13, 14, 15, 16, 17 catalysis,18, 19, 20 drug delivery,21 and luminescence sensing 2, 3, 4, 22, 23. As for conventional metal complexes, photoluminescence properties of MOFs can be finely tuned by rational selection of metal ions and design of organic ligands.…”

Section: Introductionmentioning

confidence: 99%

Photoluminescent Metal–Organic Frameworks for Gas Sensing

et al. 2016

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Luminescence of porous coordination polymers (PCPs) or metal–organic frameworks (MOFs) is sensitive to the type and concentration of chemical species in the surrounding environment, because these materials combine the advantages of the highly regular porous structures and various luminescence mechanisms, as well as diversified host‐guest interactions. In the past few years, luminescent MOFs have attracted more and more attention for chemical sensing of gas‐phase analytes, including common gases and vapors of solids/liquids. While liquid‐phase and gas‐phase luminescence sensing by MOFs share similar mechanisms such as host‐guest electron and/or energy transfer, exiplex formation, and guest‐perturbing of excited‐state energy level and radiation pathways, via various types of host‐guest interactions, gas‐phase sensing has its unique advantages and challenges, such as easy utilization of encapsulated guest luminophores and difficulty for accurate measurement of the intensity change. This review summarizes recent progresses by using luminescent MOFs as reusable sensing materials for detection of gases and vapors of solids/liquids especially for O2, highlighting various strategies for improving the sensitivity, selectivity, stability, and accuracy, reducing the materials cost, and developing related devices.

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Recent Advances in Porous Coordination Polymers

Amuneke‐Nze

Zhang

et al. 2014

Encyclopedia of Polymer Science and Technology

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elements that naturally combined into a fixed morphologies leading to higher order structures with defined porosity and topology (40-42).Crystal Engineering. In addition to metallosupramolecular chemistry, there is also crystal engineering, which contributes to parts of the solid state aspect of supramolecular chemistry. Crystal engineering has also been a vital component for the growing comprehension of coordination polymers. Since, it aims to purposefully create novel compounds though the comprehension of the packing tendencies of various molecules; it can be exploited to engineer coordination materials (43)(44)(45)(46). This field's significance is based on the bulk properties displayed by large complexes, which are fundamentally a consequence of the default arrangements of molecular elements that dictate the specific function of the material or system (47-50). The main idea is that the study of the molecular packing tendencies of a system can then impart an understanding about the macroscopic properties of that system. Moreover, the crystal engineer hopes to properly utilize and understand interactions such as van der Waals forces, hydrogen bonding, π-interaction, coordination bonding, and halogen bonding (51). Considering the depth of the possible interactions in a theoretically engineered complex, there can exist elements of synergy when using each in a simultaneous fashion. With MOFs and PCPs, this precise interaction control in network formation is important to consider for building block components (52).

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Methane storage in advanced porous materials

Cited by 752 publications

References 291 publications

In silico Design of Porous Polymer Networks: High-Throughput Screening for Methane Storage Materials

In silico Design of Porous Polymer Networks: High-Throughput Screening for Methane Storage Materials

Photoluminescent Metal–Organic Frameworks for Gas Sensing

Recent Advances in Porous Coordination Polymers

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