Adsorption behavior of carbon dioxide and methane in bituminous coal:A molecular simulation study

The adsorption behavior of CO_2, CH_4 and their mixtures in bituminous coal was investigated in this study. First, a bituminous coal model was built through molecular dynamic(MD) simulations, and it was confirmed to be reasonable by comparing the simulated results with the experimental data. Grand Canonical Monte Carlo(GCMC)simulations were then carried out to investigate the single and binary component adsorption of CO_2 and CH_4with the built bituminous coal model. For the single component adsorption, the isosteric heat of CO_2 adsorption is greater than that of CH_4 adsorption. CO_2 also exhibits stronger electrostatic interactions with the heteroatom groups in the bituminous coal model compared with CH_4, which can account for the larger adsorption capacity of CO_2 in the bituminous coal model. In the case of binary adsorption of CO_2 and CH_4mixtures, CO_2 exhibits the preferential adsorption compared with CH_4 under the studied conditions. The adsorption selectivity of CO_2 exhibited obvious change with increasing pressure. At lower pressure, the adsorption selectivity of CO_2 shows a rapid decrease with increasing the temperature, whereas it becomes insensitive to temperature at higher pressure. Additionally, the adsorption selectivity of CO_2 decreases gradually with the increase of the bulk CO_2 mole fraction and the depth of CO_2 injection site.

Indirect mineral carbonation of titanium-bearing blast furnace slag coupled with recovery of TiO_2 and Al_2O_3

Large quantities of CO2 and blast furnace slag are discharged in the iron and steel industry. Mineral carbonation of blast furnace slag can offer substantial CO2 emission reduction and comprehensive utilization of the solid waste. This paper describes a novel route for indirect mineral carbonation of titanium-bearing blast furnace （TBBF） slag, in which the TBBF slag is roasted with recyclable （NH4）2SO4 （AS） at low temperatures and converted into the sulphates of various valuable metals, including calcium, magnesium, aluminium and titanium. High value added Ti-and Al-rich products can be obtained through stepwise precipitation of the leaching solution from the roasted slag. The NH3 produced during the roasting is used to capture CO2 from flue gases. The NH4HCO3 and （NH4）2CO3 thus obtained are used to carbonate the CaSO4-containing leaching residue and MgSO4-rich leaching solution, respectively. In this study, the process parameters and efficiency for the roasting, carbonation and Ti and Al recovery were investigated in detail. The results showed that the sulfation ratios of calcium, magnesium, titanium and aluminium reached 92.6%, 87% and 84.4%, respectively, after roasting at an AS-to-TBBF slag mass ratio of 2：1 and 350℃ for 2 h. The leaching solution was subjected to hydrolysis at 102℃ for 4 h with a Ti hydrolysis ratio of 95.7%and the purity of TiO2 in the calcined hydrolysate reached 98 wt%. 99.7% of aluminium in the Ti-depleted leaching solution was precipitated by using NH3. The carbonation products of Ca and Mg were CaCO3 and （NH4）2Mg（CO3）2·4H2O, respectively. The latter can be decomposed into MgCO3 at 100-200℃ with simultaneous recovery of the NH3 for reuse. In this process, approximately 82.1% of Ca and 84.2% of Mg in the TBBF slag were transformed into stable carbonates and the total CO2 sequestration capacity per ton of TBBF slag reached up to 239.7 kg. The TiO2 obtained can be used directly as an end product, while the Al-rich precipitate and the two carbonation products can act, respectively, as raw materials for electrolytic aluminium, cement and light magnesium carbonate production for the replacement of natural resources.

Effects of in situ stress measurement uncertainties on assessment of predicted seismic activity and risk associated with a hypothetical industrial-scale geologic CO_2 sequestration operation

Carbon capture and storage(CCS) in geologic formations has been recognized as a promising option for reducing carbon dioxide(CO) emissions from large stationary sources.However,the pressure buildup inside the storage formation can potentially induce slip along preexisting faults,which could lead to felt seismic ground motion and also provide pathways for brine/COleakage into shallow drinking water aquifers.To assess the geomechanical stability of faults,it is of crucial importance to know the in situ state of stress.In situ stress measurements can provide some information on the stresses acting on faults but with considerable uncertainties.In this paper,we investigate how such uncertainties,as defined by the variation of stress measurements obtained within the study area,could influence the assessment of the geomechanical stability of faults and the characteristics of potential injection-induced seismic events.Our modeling study is based on a hypothetical industrial-scale carbon sequestration project assumed to be located in the Southern San Joaquin Basin in California,USA.We assess the stability on the major(25 km long) fault that bounds the sequestration site and is subjected to significant reservoir pressure changes as a result of 50 years of COinjection.We present a series of geomechanical simulations in which the resolved stresses on the fault were varied over ranges of values corresponding to various stress measurements performed around the study area.The simulation results are analyzed by a statistical approach.Our main results are that the variations in resolved stresses as defined by the range of stress measurements had a negligible effect on the prediction of the seismic risk(maximum magnitude),but an important effect on the timing,the seismicity rate(number of seismic events) and the location of seismic activity.

CO_(2) sequestration through direct aqueous mineral carbonation of red gypsum

In this study,the physical and chemical characteristics and direct aqueous mineral carbonation of red gypsum have been investigated.The characterization studies showed that red gypsum is a very potential feedstock for mineral carbonation.It is mainly consisted of CaO,Fe2O3 and SO3 along with some impurities.On the other hand,the carbonation results showed that direct aqueous carbonation of red gypsum resulted in CaCO3 and FeCO3 production,however,the carbonates purity and carbonation efficiency are still very low.

The influences of composition and pore structure on the adsorption behavior of CH_(4) and CO_(2) on shale

CO_(2) enhanced shale gas recovery(CO_(2)-ESGR)has attracted extensive attention as it can improve the shale gas recovery efficiency and sequestrate CO_(2) simultaneously.In this study,the relationship between mineral composition,pore structure,CH_(4) and CO_(2) adsorption behavior as well as selective adsorption coefficient of CO_(2) over CH_(4)(αCO_(2)/CH_(4))in marine and continental shales at different temperatures was investigated.The results illustrated that shale with higher total organic carbon(TOC),higher clay minerals and lower brittle mineral contents has a larger micropores and mesopores volume and specific surface area.TOC content was positively correlated with fractal dimension Df.Both CH_(4) and CO_(2) adsorption capacity in shale have positive correlations with TOC and clay mineral content.CO_(2) adsorption capacity of the all the tested shale samples were greater than CH_(4),and theαCO_(2)/CH_(4) of shale were larger than 1.00,which indicated that using CO_(2)-ESGR technology to improve the gas recovery is feasible in these shale gas reservoirs.A higher TOC content and in shale corresponding to a lowerαCO_(2)/CH_(4) due to the organic matters show stronger affinity on CH_(4) than that on CO_(2).Shale with a higher brittle mineral content corresponding to a higherαCO_(2)/CH_(4),and no obvious correlation betweenαCO_(2)/CH_(4) and clay mineral content in shale was observed due to the complexity of the clay minerals.TheαCO_(2)/CH_(4) of shale were decreased with increasing temperature for most cases,which indicated that a lower temperature is more favorable for the application of CO_(2)-ESGR technique.

Particuology and climate change

The global concern over the greenhouse gas emissions and its effect on global warming and climate change has focused attention on the necessity of carbon dioxide capture and sequestration. There are many processes proposed to capture carbon either before or after combustion and these processes invariably involve investigation and application of traditional particuology. The solids employed are of different sizes, densities, morphologies, and strengths. Their handling, transportation, recirculation, and reactor applications are the essence of ＇particuology＇. Particuology can play an important and vital role in achieving cost-effective removal of carbon and minimize emissions of greenhouse gases. In this paper, the existing and developing carbon capture processes are briefly reviewed and the opportunities for application of particuology are identified. The review was not intended to be exhaustive. It is only in sufficient detail to make connection between particuology and climate change. For immediate and future challenges of reducing global warming and carbon capture and sequestration, innovative reactor design and application of parricuology is imperative. Expertise and innovation in particuology can greatly enhance the speed of development of those technologies and help to achieve cost-effective implementation. Particuology is indeed intimately related to the climate change and global warming.