A robust large-pore zirconium carboxylate metal–organic framework for energy-efficient water-sorption-driven refrigeration
Source abstract
Abstract
The discovery of more-efficient and stable water adsorbents for adsorption-driven chillers for cooling applications remains a challenge due to the low working capacity of water sorption, high regeneration temperature, low energy efficiency under given operating conditions and the toxicity risk of harmful working fluids for the state-of-the-art sorbents. Here we report the water-sorption properties of a porous zirconium carboxylate metal–organic framework, MIP-200, which features S-shaped sorption isotherms, a high water uptake of 0.39 g g−1 below P/P0 = 0.25, facile regeneration and stable cycling, and most importantly a notably high coefficient of performance of 0.78 for refrigeration at a low driving temperature (below 70 °C). A joint computational–experimental approach supports that MIP-200 may be a practical alternative to the current commercially available adsorbents for refrigeration when its water adsorption performance is combined with advantages such as the exceptional chemical and mechanical stability and the scalable synthesis that involves simple, cheap and green chemicals.
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Research context
OpenAlex topics: Adsorption and Cooling Systems · Phase Change Materials Research · Solar-Powered Water Purification Methods
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References (62)
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1. Isaac, M. & van Vuuren, D. P. Modeling global residential sector energy demand for heating and air conditioning in the context of climate change. Energy Policy 37, 507–521 (2009).10.1016/j.enpol.2008.09.051 ↗
2. Rogelj, J. et al. Paris Agreement climate proposals need a boost to keep warming well below 2 °C. Nature 534, 631–639 (2016).10.1038/nature18307 ↗
3. Ghafoor, A. & Munir, A. Worldwide overview of solar thermal cooling technologies. Renew. Sust. Energ. Rev. 43, 763–774 (2015).10.1016/j.rser.2014.11.073 ↗
4. de Lange, M. F. et al. Adsorption-driven heat pumps: the potential of metal–organic frameworks. Chem. Rev. 115, 12205–12250 (2015).10.1021/acs.chemrev.5b00059 ↗
5. Enteria, N., Yoshino, H. & Mochida, A. Review of the advances in open-cycle absorption air-conditioning systems. Renew. Sust. Energ. Rev. 28, 265–289 (2013).10.1016/j.rser.2013.07.012 ↗
6. Khadiran, T., Hussein, M. Z., Zainal, Z. & Rusli, R. Advanced energy storage materials for building applications and their thermal performance characterization: a review. Renew. Sust. Energ. Rev. 57, 916–928 (2016).10.1016/j.rser.2015.12.081 ↗
7. Lizana, J., Chacartegui, R., Barrios-Padura, A. & Valverde, J. M. Advances in thermal energy storage materials and their applications towards zero energy buildings: a critical review. Appl. Energy 203, 219–239 (2017).10.1016/j.apenergy.2017.06.008 ↗
8. Sapienza, A. et al. Adsorption chilling driven by low temperature heat: new adsorbent and cycle optimization. Appl. Therm. Eng. 32, 141–146 (2012).10.1016/j.applthermaleng.2011.09.014 ↗
9. Aristov, Y. Concept of adsorbent optimal for adsorptive cooling/heating. Appl. Therm. Eng. 72, 166–175 (2014).10.1016/j.applthermaleng.2014.04.077 ↗
10. Wu, W. et al. Comparisons of different working pairs and cycles on the performance of absorption heat pump for heating and domestic hot water in cold regions. Appl. Therm. Eng. 48, 349–358 (2012).10.1016/j.applthermaleng.2012.04.047 ↗
11. de Lange, M. F. et al. Metal–organic frameworks in adsorption-driven heat pumps: the potential of alcohols as working fluids. Langmuir 31, 12783–12796 (2015).10.1021/acs.langmuir.5b03272 ↗
12. Krajnc, A. et al. Superior performance of microporous aluminophosphate with LTA topology in solar-energy storage and heat reallocation. Adv. Energy Mater. 7, 8 (2017).10.1002/aenm.201601815 ↗
13. Freni, A. et al. SAPO-34 coated adsorbent heat exchanger for adsorption chillers. Appl. Therm. Eng. 82, 1–7 (2015).10.1016/j.applthermaleng.2015.02.052 ↗
14. Zhou, H. C., Long, J. R. & Yaghi, O. M. Introduction to metal–organic frameworks. Chem. Rev. 112, 673–674 (2012).10.1021/cr300014x ↗
15. Maurin, G., Serre, C., Cooper, A. & Ferey, G. The new age of MOFs and of their porous-related solids. Chem. Soc. Rev. 46, 3104–3107 (2017).10.1039/C7CS90049J ↗
16. Cadiau, A. et al. Design of hydrophilic metal organic framework water adsorbents for heat reallocation. Adv. Mater. 27, 4775–4780 (2015).10.1002/adma.201502418 ↗
17. Seo, Y. K. et al. Energy-efficient dehumidification over hierarchically porous metal–organic frameworks as advanced water adsorbents. Adv. Mater. 24, 806–810 (2012).10.1002/adma.201104084 ↗
18. Rieth, A. J., Yang, S., Wang, E. N. & Dinca, M. Record atmospheric fresh water capture and heat transfer with a material operating at the water uptake reversibility limit. ACS Central Sci. 3, 668–672 (2017).10.1021/acscentsci.7b00186 ↗
19. AbdulHalim, R. G. et al. A fine-tuned metal–organic framework for autonomous indoor moisture control. J. Am. Chem. Soc. 139, 10715–10722 (2017).10.1021/jacs.7b04132 ↗
20. Sohail, M. et al. Synthesis of highly crystalline NH2-MIL-125 (Ti) with S-shaped water isotherms for adsorption heat transformation. Cryst. Growth Des. 17, 1208–1213 (2017).10.1021/acs.cgd.6b01597 ↗
21. Permyakova, A. et al. Synthesis optimization, shaping, and heat reallocation evaluation of the hydrophilic metal–organic framework MIL-160(Al). ChemSusChem 10, 1419–1426 (2017).10.1002/cssc.201700164 ↗
22. Kummer, H. et al. A functional full-scale heat exchanger coated with aluminum fumarate metal–organic framework for adsorption heat transformation. Ind. Eng. Chem. Res. 56, 8393–8398 (2017).10.1021/acs.iecr.7b00106 ↗
23. Lenzen, D. et al. Scalable green synthesis and full-scale test of the metal–organic framework CAU-10-H for use in adsorption-driven chillers. Adv. Mater. 30, 1705869 (2018).10.1002/adma.201705869 ↗
24. Furukawa, H. et al. Water adsorption in porous metal–organic frameworks and related materials. J. Am. Chem. Soc. 136, 4369–4381 (2014).10.1021/ja500330a ↗
25. Gordeeva, L. G., Solovyeva, M. V. & Aristov, Y. I. NH2-MIL-125 as a promising material for adsorptive heat transformation and storage. Energy 100, 18–24 (2016).10.1016/j.energy.2016.01.034 ↗
26. Srikhirin, P., Aphornratana, S. & Chungpaibulpatana, S. A review of absorption refrigeration technologies. Renew. Sust. Energ. Rev. 5, 343–372 (2001).10.1016/S1364-0321(01)00003-X ↗
27. Lee, U. H., Valekar, A. H., Hwang, Y. K. & Chang, J.-S. in The Chemistry of Metal–Organic Frameworks: Synthesis, Characterization, and Applications (ed. Kaskel, S.) Ch. 18 (Wiley-VCH, Weinheim, 2016).
28. Bai, Y. et al. Zr-based metal–organic frameworks: design, synthesis, structure, and applications. Chem. Soc. Rev. 45, 2327–2367 (2016).10.1039/C5CS00837A ↗
29. Prat, D. et al. CHEM21 selection guide of classical- and less classical-solvents. Green Chem. 18, 288–296 (2016).10.1039/C5GC01008J ↗
30. Duran, D. et al. PROXIMA 2A—a new fully tunable micro-focus beamline for macromolecular crystallography. J. Phys. Conf. Ser. 425, 012005 (2013).10.1088/1742-6596/425/1/012005 ↗
31. Aristov, Y. I. Challenging offers of material science for adsorption heat transformation: a review. Appl. Therm. Eng. 50, 1610–1618 (2013).10.1016/j.applthermaleng.2011.09.003 ↗
32. Mileo, P. G. M. et al. Highly efficient proton conduction in a three-dimensional titanium hydrogen phosphate. Chem. Mat. 29, 7263–7271 (2017).10.1021/acs.chemmater.7b01850 ↗
33. Borges, D. D. et al. Computational exploration of the water concentration dependence of the proton transport in the porous UiO-66(Zr)–(CO2H)2 metal–organic framework. Chem. Mat 29, 1569–1576 (2017).10.1021/acs.chemmater.6b04257 ↗
34. Borges, D. D. et al. Proton transport in a highly conductive porous zirconium-based metal–organic framework: molecular insight. Angew. Chem. Int. Ed. 55, 3919–3924 (2016).10.1002/anie.201510855 ↗
35. Chorowski, M. & Pyrka, P. Modelling and experimental investigation of an adsorption chiller using low-temperature heat from cogeneration. Energy 92, 221–229 (2015).10.1016/j.energy.2015.05.079 ↗
36. Elmegaard, B., Ommen, T. S., Markussen, M. & Iversen, J. Integration of space heating and hot water supply in low temperature district heating. Energy Build. 124, 255–264 (2016).10.1016/j.enbuild.2015.09.003 ↗
37. Krause, S. et al. A stimuli-responsive zirconium metal–organic framework based on supermolecular design. Angew. Chem. Int. Ed. 56, 10676–10680 (2017).10.1002/anie.201702357 ↗
38. Jiang, J. et al. Superacidity in sulfated metal–organic framework-808. J. Am. Chem. Soc. 136, 12844–12847 (2014).10.1021/ja507119n ↗
39. Mouchaham, G. et al. A robust infinite zirconium phenolate building unit to enhance the chemical stability of Zr MOFs. Angew. Chem. Int. Ed. 54, 13297–13301 (2015).10.1002/anie.201507058 ↗
40. Guillerm, V. et al. A series of isoreticular, highly stable, porous zirconium oxide based metal–organic frameworks. Angew. Chem. Int. Ed. 51, 9267–9271 (2012).10.1002/anie.201204806 ↗
41. Yuan, S. et al. Stable metal-organic frameworks: design, synthesis, and applications. Adv. Mater. 30, 1704303 (2018).10.1002/adma.201704303 ↗
42. Howarth, A. J. et al. Chemical, thermal and mechanical stabilities of metal–organic frameworks. Nat. Rev. Mater. 1, 15 (2016).10.1038/natrevmats.2015.18 ↗
43. Bennett, T. D. & Cheetham, A. K. Amorphous metal–organic frameworks. Accounts Chem. Res. 47, 1555–1562 (2014).10.1021/ar5000314 ↗
44. Wang, J., Evans, A. G., Dharmasena, K. & Wadley, H. N. G. On the performance of truss panels with Kagome cores. Int. J. Solids Struct. 40, 6981–6988 (2003).10.1016/S0020-7683(03)00349-4 ↗
45. Zhang, Y. H., Qu, X. M. & Fang, D. N. Mechanical properties of two novel planar lattice structures. Int. J. Solids Struct. 45, 3751–3768 (2008).10.1016/j.ijsolstr.2007.10.005 ↗
46. Gomez-Gualdron, D. A. et al. Computational design of metal–organic frameworks based on stable zirconium building units for storage and delivery of methane. Chem. Mat. 26, 5632–5639 (2014).10.1021/cm502304e ↗
47. Liu, T. F. et al. Topology-guided design and syntheses of highly stable mesoporous porphyrinic zirconium metal–organic frameworks with high surface area. J. Am. Chem. Soc. 137, 413–419 (2015).10.1021/ja5111317 ↗
48. VandeVondele, J. et al. QUICKSTEP: fast and accurate density functional calculations using a mixed Gaussian and plane waves approach. Comput. Phys. Commun. 167, 103–128 (2005).10.1016/j.cpc.2004.12.014 ↗
49. Hutter, J., Iannuzzi, M., Schiffmann, F. & VandeVondele, J. CP2K: atomistic simulations of condensed matter systems. WIREs Comput. Mol. Sci. 4, 15–25 (2014).10.1002/wcms.1159 ↗
50. The CP2K Developers Group (accessed 1 August 2018); http://www.cp2k.org
51. Perdew, J. P., Burke, K. & Ernzerhof, M. Generalized gradient approximation made simple. Phys. Rev. Lett. 77, 3865–3868 (1996).10.1103/PhysRevLett.77.3865 ↗
52. Grimme, S., Antony, J., Ehrlich, S. & Krieg, H. A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H–Pu. J. Chem. Phys. 132, 154104 (2010).10.1063/1.3382344 ↗
53. Grimme, S. Accurate description of van der Waals complexes by density functional theory including empirical corrections. J. Comput. Chem. 25, 1463–1473 (2004).10.1002/jcc.20078 ↗
54. VandeVondele, J. & Hutter, J. Gaussian basis sets for accurate calculations on molecular systems in gas and condensed phases. J. Chem. Phys. 127, 114105 (2007).10.1063/1.2770708 ↗
55. Goedecker, S., Teter, M. & Hutter, J. Separable dual-space Gaussian pseudopotentials. Phys. Rev. B 54, 1703–1710 (1996).10.1103/PhysRevB.54.1703 ↗
56. Krack, M. Pseudopotentials for H to Kr optimized for gradient-corrected exchange-correlation functionals. Theor. Chem. Acc. 114, 145–152 (2005).10.1007/s00214-005-0655-y ↗
57. Hartwigsen, C., Goedecker, S. & Hutter, J. Relativistic separable dual-space Gaussian pseudopotentials from H to Rn. Phys. Rev. B 58, 3641–3662 (1998).10.1103/PhysRevB.58.3641 ↗
58. Yang, Q. Y. & Zhong, C. L. Understanding hydrogen adsorption in metal–organic frameworks with open metal sites: a computational study. J. Phys. Chem. B 110, 655–658 (2006).10.1021/jp055908w ↗
59. Rappe, A. K. et al. UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations. J. Am. Chem. Soc. 114, 10024–10035 (1992).10.1021/ja00051a040 ↗
60. Mayo, S. L., Olafson, B. D. & Goddard, W. A. DREIDING: a generic force field for molecular simulations. J. Phys. Chem. 94, 8897–8909 (1990).10.1021/j100389a010 ↗
61. Abascal, J. L. & Vega, C. A general purpose model for the condensed phases of water: TIP4P/2005. J. Chem. Phys. 123, 234505 (2005).10.1063/1.2121687 ↗
62. Vlugt, T. J. et al. Computing the heat of adsorption using molecular simulations: the effect of strong coulombic interactions. J. Chem. Theory Comput. 4, 1107–1118 (2008).10.1021/ct700342k ↗