posted on 2017-06-29, 00:00authored byYing Wu, Dai Tang, Ross J. Verploegh, Hongxia Xi, David S. Sholl
The
development of adsorbed natural gas (ANG) technology creates
opportunities for use of pipeline natural gas as clean fuel in vehicles.
Metal–organic frameworks (MOFs) are one class of materials
that have received considerable attention as possible adsorbents in
ANG applications. We examine how accumulation of trace components
from pipeline natural gas will impact the performance of MOFs in ANG
during long-term cycling. Our approach combines information from grand
canonical Monte Carlo (GCMC) simulations of single-component adsorption,
ideal adsorbed solution theory (IAST) of multicomponent adsorption,
and an isothermal model of tank cycling to assess accumulation of
heavy hydrocarbons and tert-butyl mercaptan (TBM).
In a series of MOFs, a reduction in deliverable energy up to 50% is
observed after 200 cycles. These results highlight the importance
of considering multicomponent effects during consideration of adsorbents
for ANG applications.