Imperial College London


Faculty of EngineeringDepartment of Chemical Engineering

Professor of Energy Engineering



+44 (0)20 7594 1830g.maitland Website




Mrs Sarah Payne +44 (0)20 7594 5567




401ACE ExtensionSouth Kensington Campus






BibTex format

author = {Fennell, PS and yao, JG and maitland, GC and Zhang, Z},
doi = {10.1016/j.fuproc.2017.09.006},
journal = {Fuel Processing Technology},
pages = {24--41},
title = {Pressurized Calcium Looping in the Presence of Steam in a Spout-Fluidized-Bed Reactor with DFT Analysis},
url = {},
volume = {169},
year = {2017}

RIS format (EndNote, RefMan)

AB - Calcium looping is a high-temperature solid-looping process for CO2 capture, exploiting cyclical carbonation of CaO. Previous work investigating the effects of steam on the carbonation reaction has produced conflicting results, with the majority of work conducted using thermogravimetric analyzers (TGA). Here, pressurized carbonation kinetics in the presence of steam in a 3 kWe pressurized spout-fluidized bed reactor, gives a rigorous insight into the effects of steam. Pseudo-intrinsic kinetics were determined using an effectiveness factor model along with activation energies and kinetic expressions. The mechanism in which steam promotes CO2 adsorption on the surface of CaO was investigated using density functional theory (DFT). The molecular-scale changes on the CaO surface owing to the presence of steam compared to the base case of CO2 adsorption on a ‘clean’ (without steam) surface were simulated with the Cambridge Serial Total Energy Package (CASTEP) software. The results suggest that steam promotes CO2 adsorption via the formation of surface OH groups on the CaO surface.
AU - Fennell,PS
AU - yao,JG
AU - maitland,GC
AU - Zhang,Z
DO - 10.1016/j.fuproc.2017.09.006
EP - 41
PY - 2017///
SN - 0378-3820
SP - 24
TI - Pressurized Calcium Looping in the Presence of Steam in a Spout-Fluidized-Bed Reactor with DFT Analysis
T2 - Fuel Processing Technology
UR -
UR -
VL - 169
ER -