Promoting the cooling performance of adsorption chillers
(ACs)
greatly relies on the exploration of high-performance adsorbent/refrigerant
working pairs. Ammonia is not only an environmentally friendly refrigerant
but also favorable for heat and mass transfer in ACs owing to its
large vapor pressure and enthalpy of evaporation. Zeolite imidazolate
frameworks (ZIFs) with excellent ammonia stability are identified
as a class of potential adsorbents for practical ammonia-based ACs.
However, high-performing ZIF/ammonia working pairs with excellent
AC performance are still to be developed. In this work, the cooling
performance including the coefficient of performance for cooling (COPC) and the specific cooling effects (SCEs) of 26 ZIFs with
the same composites but different topologies was evaluated by combining
molecular simulation and mathematical modeling. Five high-performing
ZIFs with COPC > 0.45 and SCE > 250 kJ/kg were identified,
among which
gis
-ZIF with the highest
COPC of 0.51 and
lta
-ZIF
with the highest SCE of 354 kJ/kg both are promising to be synthesized
and applied further. Besides, the quantitative structure–performance
relationship (QSPR) was extracted that can help quickly identify and
design high-performing ZIFs according to their ammonia adsorption
isotherms and structural characteristics. Moreover, “S”-shaped
adsorption isotherms with high saturation adsorption capacity (>0.2
g/g), suitable step position (0.2–0.4), and relatively low
Henry’s constant (<1 × 10–5 mol/(kg·Pa))
are more favorable for excellent COPC and SCE. From the
perspective of structure characteristics, ZIFs possessing low crystal
density (<0.9 g/cm3), high accessible surface area (>2000
m2/g), balanced largest cavity diameter (∼15 Å),
and accessible pore volume (∼0.65 cm3/g) are beneficial
for high-efficient cooling performance.