Modeling of CO2 storage in aquifers

International Nuclear Information System (INIS)

Savioli, Gabriela B; Santos, Juan E

2011-01-01

Storage of CO 2 in geological formations is a means of mitigating the greenhouse effect. Saline aquifers are a good alternative as storage sites due to their large volume and their common occurrence in nature. The first commercial CO 2 injection project is that of the Sleipner field in the Utsira Sand aquifer (North Sea). Nevertheless, very little was known about the effectiveness of CO 2 sequestration over very long periods of time. In this way, numerical modeling of CO 2 injection and seismic monitoring is an important tool to understand the behavior of CO 2 after injection and to make long term predictions in order to prevent CO 2 leaks from the storage into the atmosphere. The description of CO 2 injection into subsurface formations requires an accurate fluid-flow model. To simulate the simultaneous flow of brine and CO 2 we apply the Black-Oil formulation for two phase flow in porous media, which uses the PVT data as a simplified thermodynamic model. Seismic monitoring is modeled using Biot's equations of motion describing wave propagation in fluid-saturated poroviscoelastic solids. Numerical examples of CO 2 injection and time-lapse seismics using data of the Utsira formation show the capability of this methodology to monitor the migration and dispersal of CO 2 after injection.

Lattice Boltzmann simulation of CO2 reactive transport in network fractured media

Science.gov (United States)

Tian, Zhiwei; Wang, Junye

2017-08-01

Carbon dioxide (CO2) geological sequestration plays an important role in mitigating CO2 emissions for climate change. Understanding interactions of the injected CO2 with network fractures and hydrocarbons is key for optimizing and controlling CO2 geological sequestration and evaluating its risks to ground water. However, there is a well-known, difficult process in simulating the dynamic interaction of fracture-matrix, such as dynamic change of matrix porosity, unsaturated processes in rock matrix, and effect of rock mineral properties. In this paper, we develop an explicit model of the fracture-matrix interactions using multilayer bounce-back treatment as a first attempt to simulate CO2 reactive transport in network fractured media through coupling the Dardis's LBM porous model for a new interface treatment. Two kinds of typical fracture networks in porous media are simulated: straight cross network fractures and interleaving network fractures. The reaction rate and porosity distribution are illustrated and well-matched patterns are found. The species concentration distribution and evolution with time steps are also analyzed and compared with different transport properties. The results demonstrate the capability of this model to investigate the complex processes of CO2 geological injection and reactive transport in network fractured media, such as dynamic change of matrix porosity.

CO2 dispersion modelling over Paris region within the CO2-MEGAPARIS project

Directory of Open Access Journals (Sweden)

C. Lac

2013-05-01

Full Text Available Accurate simulation of the spatial and temporal variability of tracer mixing ratios over urban areas is a challenging and interesting task needed to be performed in order to utilise CO2 measurements in an atmospheric inverse framework and to better estimate regional CO2 fluxes. This study investigates the ability of a high-resolution model to simulate meteorological and CO2 fields around Paris agglomeration during the March field campaign of the CO2-MEGAPARIS project. The mesoscale atmospheric model Meso-NH, running at 2 km horizontal resolution, is coupled with the Town Energy Balance (TEB urban canopy scheme and with the Interactions between Soil, Biosphere and Atmosphere CO2-reactive (ISBA-A-gs surface scheme, allowing a full interaction of CO2 modelling between the surface and the atmosphere. Statistical scores show a good representation of the urban heat island (UHI with stronger urban–rural contrasts on temperature at night than during the day by up to 7 °C. Boundary layer heights (BLH have been evaluated on urban, suburban and rural sites during the campaign, and also on a suburban site over 1 yr. The diurnal cycles of the BLH are well captured, especially the onset time of the BLH increase and its growth rate in the morning, which are essential for tall tower CO2 observatories. The main discrepancy is a small negative bias over urban and suburban sites during nighttime (respectively 45 m and 5 m, leading to a few overestimations of nocturnal CO2 mixing ratios at suburban sites and a bias of +5 ppm. The diurnal CO2 cycle is generally well captured for all the sites. At the Eiffel tower, the observed spikes of CO2 maxima occur every morning exactly at the time at which the atmospheric boundary layer (ABL growth reaches the measurement height. At suburban ground stations, CO2 measurements exhibit maxima at the beginning and at the end of each night, when the ABL is fully contracted, with a strong spatio-temporal variability. A

Recovery Act: Web-based CO{sub 2} Subsurface Modeling

Energy Technology Data Exchange (ETDEWEB)

Paolini, Christopher; Castillo, Jose

2012-11-30

The Web-based CO{sub 2} Subsurface Modeling project focused primarily on extending an existing text-only, command-line driven, isothermal and isobaric, geochemical reaction-transport simulation code, developed and donated by Sienna Geodynamics, into an easier-to-use Web-based application for simulating long-term storage of CO{sub 2} in geologic reservoirs. The Web-based interface developed through this project, publically accessible via URL http://symc.sdsu.edu/, enables rapid prototyping of CO{sub 2} injection scenarios and allows students without advanced knowledge of geochemistry to setup a typical sequestration scenario, invoke a simulation, analyze results, and then vary one or more problem parameters and quickly re-run a simulation to answer what-if questions. symc.sdsu.edu has 2x12 core AMD Opteron™ 6174 2.20GHz processors and 16GB RAM. The Web-based application was used to develop a new computational science course at San Diego State University, COMP 670: Numerical Simulation of CO{sub 2} Sequestration, which was taught during the fall semester of 2012. The purpose of the class was to introduce graduate students to Carbon Capture, Use and Storage (CCUS) through numerical modeling and simulation, and to teach students how to interpret simulation results to make predictions about long-term CO{sub 2} storage capacity in deep brine reservoirs. In addition to the training and education component of the project, significant software development efforts took place. Two computational science doctoral and one geological science masters student, under the direction of the PIs, extended the original code developed by Sienna Geodynamics, named Sym.8. New capabilities were added to Sym.8 to simulate non-isothermal and non-isobaric flows of charged aqueous solutes in porous media, in addition to incorporating HPC support into the code for execution on many-core XSEDE clusters. A successful outcome of this project was the funding and training of three new computational

Molecular simulations of a CO2/CO mixture in MIL-127

Science.gov (United States)

Chokbunpiam, Tatiya; Fritzsche, Siegfried; Parasuk, Vudhichai; Caro, Jürgen; Assabumrungrat, Suttichai

2018-03-01

Adsorption and diffusion of an equimolar feed mixture of CO2 and CO in MIL-127 at three different temperatures and pressures up to 12 bar were investigated by molecular simulations. The adsorption was simulated using Gibbs-Ensemble Monte Carlo (GEMC). The structure of the adsorbed phase and the diffusion in the MIL were investigated using Molecular Dynamics (MD) simulations. The adsorption selectivity of MIL-127 for CO2 over CO at 233 K was about 15. When combining adsorption and diffusion selectivities, a membrane selectivity of about 12 is predicted. For higher temperatures, both adsorption and diffusion selectivity are found to be smaller.

Simulated effect of calcification feedback on atmospheric CO2 and ocean acidification

Science.gov (United States)

Zhang, Han; Cao, Long

2016-01-01

Ocean uptake of anthropogenic CO2 reduces pH and saturation state of calcium carbonate materials of seawater, which could reduce the calcification rate of some marine organisms, triggering a negative feedback on the growth of atmospheric CO2. We quantify the effect of this CO2-calcification feedback by conducting a series of Earth system model simulations that incorporate different parameterization schemes describing the dependence of calcification rate on saturation state of CaCO3. In a scenario with SRES A2 CO2 emission until 2100 and zero emission afterwards, by year 3500, in the simulation without CO2-calcification feedback, model projects an accumulated ocean CO2 uptake of 1462 PgC, atmospheric CO2 of 612 ppm, and surface pH of 7.9. Inclusion of CO2-calcification feedback increases ocean CO2 uptake by 9 to 285 PgC, reduces atmospheric CO2 by 4 to 70 ppm, and mitigates the reduction in surface pH by 0.003 to 0.06, depending on the form of parameterization scheme used. It is also found that the effect of CO2-calcification feedback on ocean carbon uptake is comparable and could be much larger than the effect from CO2-induced warming. Our results highlight the potentially important role CO2-calcification feedback plays in ocean carbon cycle and projections of future atmospheric CO2 concentrations. PMID:26838480

Simulated anthropogenic CO2 storage and acidification of the Mediterranean Sea

Directory of Open Access Journals (Sweden)

J. Palmiéri

2015-02-01

Full Text Available Constraints on the Mediterranean Sea's storage of anthropogenic CO2 are limited, coming only from data-based approaches that disagree by more than a factor of two. Here we simulate this marginal sea's anthropogenic carbon storage by applying a perturbation approach in a high-resolution regional model. Our model simulates that, between 1800 and 2001, basin-wide CO2 storage by the Mediterranean Sea has increased by 1.0 Pg C, a lower limit based on the model's weak deep-water ventilation, as revealed by evaluation with CFC-12. Furthermore, by testing a data-based approach (transit time distribution in our model, comparing simulated anthropogenic CO2 to values computed from simulated CFC-12 and physical variables, we conclude that the associated basin-wide storage of 1.7 Pg, published previously, must be an upper bound. Out of the total simulated storage of 1.0 Pg C, 75% comes from the air–sea flux into the Mediterranean Sea and 25% comes from net transport from the Atlantic across the Strait of Gibraltar. Sensitivity tests indicate that the Mediterranean Sea's higher total alkalinity, relative to the global-ocean mean, enhances the Mediterranean's total inventory of anthropogenic carbon by 10%. Yet the corresponding average anthropogenic change in surface pH does not differ significantly from the global-ocean average, despite higher total alkalinity. In Mediterranean deep waters, the pH change is estimated to be between −0.005 and −0.06 pH units.

An ensemble approach to simulate CO2 emissions from natural fires

Science.gov (United States)

Eliseev, A. V.; Mokhov, I. I.; Chernokulsky, A. V.

2014-06-01

This paper presents ensemble simulations with the global climate model developed at the A. M. Obukhov Institute of Atmospheric Physics, Russian Academy of Sciences (IAP RAS CM). These simulations are forced by historical reconstructions of concentrations of well-mixed greenhouse gases (CO2, CH4, and N2O), sulfate aerosols (both in the troposphere and stratosphere), extent of crops and pastures, and total solar irradiance for AD 850-2005 (hereafter all years are taken as being AD) and by the Representative Concentration Pathway (RCP) scenarios for the same forcing agents until the year 2300. Our model implements GlobFIRM (Global FIRe Model) as a scheme for calculating characteristics of natural fires. Comparing to the original GlobFIRM model, in our implementation, the scheme is extended by a module accounting for CO2 release from soil during fires. The novel approach of our paper is to simulate natural fires in an ensemble fashion. Different ensemble members in the present paper are constructed by varying the values of parameters of the natural fires module. These members are constrained by the GFED-3.1 data set for the burnt area and CO2 release from fires and further subjected to Bayesian averaging. Our simulations are the first coupled model assessment of future changes in gross characteristics of natural fires. In our model, the present-day (1998-2011) global area burnt due to natural fires is (2.1 ± 0.4) × 106 km2 yr-1 (ensemble mean and intra-ensemble standard deviation are presented), and the respective CO2 emissions to the atmosphere are (1.4 ± 0.2) Pg C yr-1. The latter value is in agreement with the corresponding GFED estimates. The area burnt by natural fires is generally larger than the GFED estimates except in boreal Eurasia, where it is realistic, and in Australia, where it is smaller than these estimates. Regionally, the modelled CO2 emissions are larger (smaller) than the GFED estimates in Europe (in the tropics and north-eastern Eurasia). From

Constraining a complex biogeochemical model for CO2 and N2O emission simulations from various land uses by model-data fusion

Science.gov (United States)

Houska, Tobias; Kraus, David; Kiese, Ralf; Breuer, Lutz

2017-07-01

This study presents the results of a combined measurement and modelling strategy to analyse N2O and CO2 emissions from adjacent arable land, forest and grassland sites in Hesse, Germany. The measured emissions reveal seasonal patterns and management effects, including fertilizer application, tillage, harvest and grazing. The measured annual N2O fluxes are 4.5, 0.4 and 0.1 kg N ha-1 a-1, and the CO2 fluxes are 20.0, 12.2 and 3.0 t C ha-1 a-1 for the arable land, grassland and forest sites, respectively. An innovative model-data fusion concept based on a multicriteria evaluation (soil moisture at different depths, yield, CO2 and N2O emissions) is used to rigorously test the LandscapeDNDC biogeochemical model. The model is run in a Latin-hypercube-based uncertainty analysis framework to constrain model parameter uncertainty and derive behavioural model runs. The results indicate that the model is generally capable of predicting trace gas emissions, as evaluated with RMSE as the objective function. The model shows a reasonable performance in simulating the ecosystem C and N balances. The model-data fusion concept helps to detect remaining model errors, such as missing (e.g. freeze-thaw cycling) or incomplete model processes (e.g. respiration rates after harvest). This concept further elucidates the identification of missing model input sources (e.g. the uptake of N through shallow groundwater on grassland during the vegetation period) and uncertainty in the measured validation data (e.g. forest N2O emissions in winter months). Guidance is provided to improve the model structure and field measurements to further advance landscape-scale model predictions.

Modeling CO2 Storage in Fractured Reservoirs: Fracture-Matrix Interactions of Free-Phase and Dissolved CO2

Science.gov (United States)

Oldenburg, C. M.; Zhou, Q.; Birkholzer, J. T.

2017-12-01

The injection of supercritical CO2 (scCO2) in fractured reservoirs has been conducted at several storage sites. However, no site-specific dual-continuum modeling for fractured reservoirs has been reported and modeling studies have generally underestimated the fracture-matrix interactions. We developed a conceptual model for enhanced CO2 storage to take into account global scCO2 migration in the fracture continuum, local storage of scCO2 and dissolved CO2 (dsCO2) in the matrix continuum, and driving forces for scCO2 invasion and dsCO2 diffusion from fractures. High-resolution discrete fracture-matrix models were developed for a column of idealized matrix blocks bounded by vertical and horizontal fractures and for a km-scale fractured reservoir. The column-scale simulation results show that equilibrium storage efficiency strongly depends on matrix entry capillary pressure and matrix-matrix connectivity while the time scale to reach equilibrium is sensitive to fracture spacing and matrix flow properties. The reservoir-scale modeling results shows that the preferential migration of scCO2 through fractures is coupled with bulk storage in the rock matrix that in turn retards the fracture scCO2 plume. We also developed unified-form diffusive flux equations to account for dsCO2 storage in brine-filled matrix blocks and found solubility trapping is significant in fractured reservoirs with low-permeability matrix.

Kinetics of CO2 diffusion in human carbonic anhydrase: a study using molecular dynamics simulations and the Markov-state model.

Science.gov (United States)

Chen, Gong; Kong, Xian; Lu, Diannan; Wu, Jianzhong; Liu, Zheng

2017-05-10

Molecular dynamics (MD) simulations, in combination with the Markov-state model (MSM), were applied to probe CO 2 diffusion from an aqueous solution into the active site of human carbonic anhydrase II (hCA-II), an enzyme useful for enhanced CO 2 capture and utilization. The diffusion process in the hydrophobic pocket of hCA-II was illustrated in terms of a two-dimensional free-energy landscape. We found that CO 2 diffusion in hCA-II is a rate-limiting step in the CO 2 diffusion-binding-reaction process. The equilibrium distribution of CO 2 shows its preferential accumulation within a hydrophobic domain in the protein core region. An analysis of the committors and reactive fluxes indicates that the main pathway for CO 2 diffusion into the active site of hCA-II is through a binding pocket where residue Gln 136 contributes to the maximal flux. The simulation results offer a new perspective on the CO 2 hydration kinetics and useful insights toward the development of novel biochemical processes for more efficient CO 2 sequestration and utilization.

Simulating soil N2O emissions and heterotrophic CO2 respiration in arabe systems using FASSET and MoBiLE-DNDC

DEFF Research Database (Denmark)

Chirinda, Ngonidzashe; Kracher, Daniele; Lægdsmand, Mette

2011-01-01

Modelling of soil emissions of nitrous oxide (N2O) and carbon dioxide (CO2) is complicated by complex interactions between processes and factors influencing their production, consumption and transport. In this study N2O emissions and heterotrophic CO2 respiration were simulated from soils under w...... mineral nitrogen, which seemed to originate from deficiencies in simulating degradation of soil organic matter, incorporated residues of catch crops and organic fertilizers. To improve the performance of the models, organic matter decomposition parameters need to be revised.......Modelling of soil emissions of nitrous oxide (N2O) and carbon dioxide (CO2) is complicated by complex interactions between processes and factors influencing their production, consumption and transport. In this study N2O emissions and heterotrophic CO2 respiration were simulated from soils under...... winter wheat grown in three different organic and one inorganic fertilizer-based cropping system using two different models, i.e., MoBiLE-DNDC and FASSET. The two models were generally capable of simulating most seasonal trends of measured soil heterotrophic CO2 respiration and N2O emissions. Annual soil...

The fate of pelagic CaCO3 production in a high CO2 ocean: a model study

Directory of Open Access Journals (Sweden)

C. Ethe

2007-07-01

Full Text Available This model study addresses the change in pelagic calcium carbonate production (CaCO3, as calcite in the model and dissolution in response to rising atmospheric CO2. The parameterization of CaCO3 production includes a dependency on the saturation state of seawater with respect to calcite. It was derived from laboratory and mesocosm studies on particulate organic and inorganic carbon production in Emiliania huxleyi as a function of pCO2. The model predicts values of CaCO3 production and dissolution in line with recent estimates. The effect of rising pCO2 on CaCO3 production and dissolution was quantified by means of model simulations forced with atmospheric CO2 increasing at a rate of 1% per year from 286 ppm to 1144 ppm over a 140 year time-period. The simulation predicts a decrease of CaCO3 production by 27%. The combined change in production and dissolution of CaCO3 yields an excess uptake of CO2 from the atmosphere by the ocean of 5.9 GtC over the period of 140 years.

Numerical Simulation of Natural Convection in Heterogeneous Porous media for CO2 Geological Storage

NARCIS (Netherlands)

Ranganathan, P.; Farajzadeh, R.; Bruining, J.; Zitha, P.L.J.

2012-01-01

We report a modeling and numerical simulation study of density-driven natural convection during geological CO2 storage in heterogeneous formations. We consider an aquifer or depleted oilfield overlain by gaseous CO2, where the water density increases due to CO2 dissolution. The heterogeneity of the

Numerical simulation of H2S and CO2 generation during SAGD

Energy Technology Data Exchange (ETDEWEB)

Perez-Perez, A.; Kamp, A.M. [CHLOE, UFR Science, University of Pau, 64000, Pau (France); Soleimani, H. (IFP School (France)); Darche, G. (TOTAL, Pau (France))

2011-07-01

In the heavy oil industry, the steam assisted gravity drainage process is often used to enhance oil recovery but the production of undesirable gases occurs during this process. These gases are mainly hydrogen sulphide and carbon dioxide, generated through chemical reactions triggered by high temperatures and water presence. The aim of this paper is to create a kinetic model for H2S and CO2 generation and to insert it in a reservoir simulation. This model was then tested under steam injection conditions in an SAGD system using experimental data available in the literature. The model developed successfully reproduced gas plateaus at different temperatures and results from the test showed that the model's predicted gas emissions are of the same order of magnitude as the field results. This paper presented a new kinetic model which can predict H2S and CO2 emissions of a SAGD system and could thus be used in the design of treatment facilities.

Simulation and initial experiments of a high power pulsed TEA CO2 laser

Science.gov (United States)

Torabi, R.; Saghafifar, H.; Koushki, A. M.; Ganjovi, A. A.

2016-01-01

In this paper, the output characteristics of a UV pin array pre-ionized TEA CO2 laser have been simulated and compared with the associated experimental data. In our simulation, a new theoretical model has been improved for transient behavior analysis of the discharge current pulse. The laser discharge tube was modeled by a nonlinear RLC electric circuit as a real model for electron density calculation. This model was coupled with a six-temperature model (6TM) in order to simulation dynamic emission processes of the TEA CO2 laser. The equations were solved numerically by the fourth order Runge-Kutta numerical method and some important variables such as current and voltage of the main discharge, resistance of the plasma column and electron density in the main discharge region, were calculated as functions of time. The effects of non-dissociation factor, rotational quantum number and output coupler reflectivity were also studied theoretically. The experimental and simulation results are in good agreement.

Spatial Variability in Column CO2 Inferred from High Resolution GEOS-5 Global Model Simulations: Implications for Remote Sensing and Inversions

Science.gov (United States)

Ott, L.; Putman, B.; Collatz, J.; Gregg, W.

2012-01-01

Column CO2 observations from current and future remote sensing missions represent a major advancement in our understanding of the carbon cycle and are expected to help constrain source and sink distributions. However, data assimilation and inversion methods are challenged by the difference in scale of models and observations. OCO-2 footprints represent an area of several square kilometers while NASA s future ASCENDS lidar mission is likely to have an even smaller footprint. In contrast, the resolution of models used in global inversions are typically hundreds of kilometers wide and often cover areas that include combinations of land, ocean and coastal areas and areas of significant topographic, land cover, and population density variations. To improve understanding of scales of atmospheric CO2 variability and representativeness of satellite observations, we will present results from a global, 10-km simulation of meteorology and atmospheric CO2 distributions performed using NASA s GEOS-5 general circulation model. This resolution, typical of mesoscale atmospheric models, represents an order of magnitude increase in resolution over typical global simulations of atmospheric composition allowing new insight into small scale CO2 variations across a wide range of surface flux and meteorological conditions. The simulation includes high resolution flux datasets provided by NASA s Carbon Monitoring System Flux Pilot Project at half degree resolution that have been down-scaled to 10-km using remote sensing datasets. Probability distribution functions are calculated over larger areas more typical of global models (100-400 km) to characterize subgrid-scale variability in these models. Particular emphasis is placed on coastal regions and regions containing megacities and fires to evaluate the ability of coarse resolution models to represent these small scale features. Additionally, model output are sampled using averaging kernels characteristic of OCO-2 and ASCENDS measurement

CO2 capture using aqueous ammonia: kinetic study and process simulation

DEFF Research Database (Denmark)

Darde, Victor Camille Alfred; van Well, Willy J.M.; Stenby, Erling Halfdan

2011-01-01

to 0.6. The results were compared with those found for 30 wt% mono-ethanolamine (MEA) solutions.The capture process was simulated successfully using the simulator Aspen Plus coupled with the extended UNIQUAC thermodynamic model available for the NH3–CO2–H2O system. For this purpose, a user model......Carbon dioxide capture using aqueous ammonia is a post-combustion technology that has shown a good potential. Therefore this process is studied by measuring the rate of absorption of carbon dioxide by aqueous ammonia and by performing process simulation. The rate of absorption of carbon dioxide...

Molecular simulation of the thermophysical properties and phase behaviour of impure CO2 relevant to CCS.

Science.gov (United States)

Cresswell, Alexander J; Wheatley, Richard J; Wilkinson, Richard D; Graham, Richard S

2016-10-20

Impurities from the CCS chain can greatly influence the physical properties of CO 2 . This has important design, safety and cost implications for the compression, transport and storage of CO 2 . There is an urgent need to understand and predict the properties of impure CO 2 to assist with CCS implementation. However, CCS presents demanding modelling requirements. A suitable model must both accurately and robustly predict CO 2 phase behaviour over a wide range of temperatures and pressures, and maintain that predictive power for CO 2 mixtures with numerous, mutually interacting chemical species. A promising technique to address this task is molecular simulation. It offers a molecular approach, with foundations in firmly established physical principles, along with the potential to predict the wide range of physical properties required for CCS. The quality of predictions from molecular simulation depends on accurate force-fields to describe the interactions between CO 2 and other molecules. Unfortunately, there is currently no universally applicable method to obtain force-fields suitable for molecular simulation. In this paper we present two methods of obtaining force-fields: the first being semi-empirical and the second using ab initio quantum-chemical calculations. In the first approach we optimise the impurity force-field against measurements of the phase and pressure-volume behaviour of CO 2 binary mixtures with N 2 , O 2 , Ar and H 2 . A gradient-free optimiser allows us to use the simulation itself as the underlying model. This leads to accurate and robust predictions under conditions relevant to CCS. In the second approach we use quantum-chemical calculations to produce ab initio evaluations of the interactions between CO 2 and relevant impurities, taking N 2 as an exemplar. We use a modest number of these calculations to train a machine-learning algorithm, known as a Gaussian process, to describe these data. The resulting model is then able to accurately

Effects of elevated CO2 and drought on wheat : testing crop simulation models for different experimental and climatic conditions

NARCIS (Netherlands)

Ewert, F.; Rodriguez, D.; Jamieson, P.; Semenov, M.A.; Mitchell, R.A.C.; Goudriaan, J.; Porter, J.R.; Kimball, B.A.; Pinter, P.J.; Manderscheid, R.; Weigel, H.J.; Fangmeier, A.; Fereres, E.; Villalobos, F.

2002-01-01

Effects of increasing carbon dioxide concentration [CO2] on wheat vary depending on water supply and climatic conditions, which are difficult to estimate. Crop simulation models are often used to predict the impact of global atmospheric changes on food production. However, models have rarely been

Simplified predictive models for CO₂ sequestration performance assessment

Energy Technology Data Exchange (ETDEWEB)

Mishra, Srikanta [Battelle Memorial Inst., Columbus, OH (United States); Ganesh, Priya [Battelle Memorial Inst., Columbus, OH (United States); Schuetter, Jared [Battelle Memorial Inst., Columbus, OH (United States); He, Jincong [Battelle Memorial Inst., Columbus, OH (United States); Jin, Zhaoyang [Battelle Memorial Inst., Columbus, OH (United States); Durlofsky, Louis J. [Battelle Memorial Inst., Columbus, OH (United States)

2015-09-30

CO2 sequestration in deep saline formations is increasingly being considered as a viable strategy for the mitigation of greenhouse gas emissions from anthropogenic sources. In this context, detailed numerical simulation based models are routinely used to understand key processes and parameters affecting pressure propagation and buoyant plume migration following CO2 injection into the subsurface. As these models are data and computation intensive, the development of computationally-efficient alternatives to conventional numerical simulators has become an active area of research. Such simplified models can be valuable assets during preliminary CO2 injection project screening, serve as a key element of probabilistic system assessment modeling tools, and assist regulators in quickly evaluating geological storage projects. We present three strategies for the development and validation of simplified modeling approaches for CO2 sequestration in deep saline formations: (1) simplified physics-based modeling, (2) statisticallearning based modeling, and (3) reduced-order method based modeling. In the first category, a set of full-physics compositional simulations is used to develop correlations for dimensionless injectivity as a function of the slope of the CO2 fractional-flow curve, variance of layer permeability values, and the nature of vertical permeability arrangement. The same variables, along with a modified gravity number, can be used to develop a correlation for the total storage efficiency within the CO2 plume footprint. Furthermore, the dimensionless average pressure buildup after the onset of boundary effects can be correlated to dimensionless time, CO2 plume footprint, and storativity contrast between the reservoir and caprock. In the second category, statistical “proxy models” are developed using the simulation domain described previously with two approaches: (a) classical Box-Behnken experimental design with a quadratic response surface, and (b) maximin

Modeling and simulation of CO methanation process for renewable electricity storage

International Nuclear Information System (INIS)

Er-rbib, Hanaâ; Bouallou, Chakib

2014-01-01

In this paper, a new approach of converting renewable electricity into methane via syngas (a mixture of CO and H 2 ) and CO methanation is presented. Surplus of electricity is used to electrolyze H 2 O and CO 2 to H 2 and CO by using a SOEC (Solid Oxide Electrolysis Cell). Syngas produced is then converted into methane. When high consumption peaks appear, methane is used to produce electricity. The main conversion step in this process is CO methanation. A modeling of catalytic fixed bed methanation reactor and a design of methanation unit composed of multistage adiabatic reactors are carried out using Aspen plus™ software. The model was validated by comparing the simulated results of gas composition (CH 4 , CO, CO 2 and H 2 ) with industrial data. In addition, the effects of recycle ratio on adiabatic reactor stages, outlet temperature, and H 2 and CO conversions are carefully investigated. It is found that for storing 10 MW of renewable electricity, methanation unit is composed of three adiabatic reactors with recycle loop and intermediate cooling at 553 K and 1.5 MPa. The methanation unit generates 3778.6 kg/h of steam at 523.2 K and 1 MPa (13.67 MW). - Highlights: • A catalytic fixed bed reactor of CO methanation was modeled. • The maximum relative error of the methanation reactor model is 12%. • For 10 MW storage of renewable electricity, three adiabatic reactors are required. • The recycle ratio affects the reactor outlet temperature and CO conversion

An Integrated Capillary, Buoyancy, and Viscous-Driven Model for Brine/CO2Relative Permeability in a Compositional and Parallel Reservoir Simulator

KAUST Repository

Kong, X.; Delshad, M.; Wheeler, M. F.

2012-01-01

The effectiveness of CO2 storage in the saline aquifers is governed by the interplay of capillary, viscous, and buoyancy forces. Recent experimental study reveals the impact of pressure, temperature, and salinity on interfacial tension (IFT) between CO2 and brine. The dependence of CO2-brine relative permeability and capillary pressure on pressure (IFT) is also clearly evident in published experimental results. Improved understanding of the mechanisms that control the migration and trapping of CO2 in subsurface is crucial to design future storage projects that warrant long-term and safe containment. Simulation studies ignoring the buoyancy and also variation in interfacial tension and the effect on the petrophysical properties such as trapped CO2 saturations, relative permeability, and capillary pressure have a poor chance of making accurate predictions of CO2 injectivity and plume migration. We have developed and implemented a general relative permeability model that combines effects of pressure gradient, buoyancy, and IFT in an equation of state (EOS) compositional and parallel simulator. The significance of IFT variations on CO2 migration and trapping is assessed.

An Integrated Capillary, Buoyancy, and Viscous-Driven Model for Brine/CO2Relative Permeability in a Compositional and Parallel Reservoir Simulator

KAUST Repository

Kong, X.

2012-11-03

The effectiveness of CO2 storage in the saline aquifers is governed by the interplay of capillary, viscous, and buoyancy forces. Recent experimental study reveals the impact of pressure, temperature, and salinity on interfacial tension (IFT) between CO2 and brine. The dependence of CO2-brine relative permeability and capillary pressure on pressure (IFT) is also clearly evident in published experimental results. Improved understanding of the mechanisms that control the migration and trapping of CO2 in subsurface is crucial to design future storage projects that warrant long-term and safe containment. Simulation studies ignoring the buoyancy and also variation in interfacial tension and the effect on the petrophysical properties such as trapped CO2 saturations, relative permeability, and capillary pressure have a poor chance of making accurate predictions of CO2 injectivity and plume migration. We have developed and implemented a general relative permeability model that combines effects of pressure gradient, buoyancy, and IFT in an equation of state (EOS) compositional and parallel simulator. The significance of IFT variations on CO2 migration and trapping is assessed.

A model-based understanding of solid-oxide electrolysis cells (SOECs) for syngas production by H2O/CO2 co-electrolysis

Science.gov (United States)

Menon, Vikram; Fu, Qingxi; Janardhanan, Vinod M.; Deutschmann, Olaf

2015-01-01

High temperature co-electrolysis of H2O and CO2 offers a promising route for syngas (H2, CO) production via efficient use of heat and electricity. The performance of a SOEC during co-electrolysis is investigated by focusing on the interactions between transport processes and electrochemical parameters. Electrochemistry at the three-phase boundary is modeled by a modified Butler-Volmer approach that considers H2O electrolysis and CO2 electrolysis, individually, as electrochemically active charge transfer pathways. The model is independent of the geometrical structure. A 42-step elementary heterogeneous reaction mechanism for the thermo-catalytic chemistry in the fuel electrode, the dusty gas model (DGM) to account for multi-component diffusion through porous media, and a plug flow model for flow through the channels are used in the model. Two sets of experimental data are reproduced by the simulations, in order to deduce parameters of the electrochemical model. The influence of micro-structural properties, inlet cathode gas velocity, and temperature are discussed. Reaction flow analysis is performed, at OCV, to study methane production characteristics and kinetics during co-electrolysis. Simulations are carried out for configurations ranging from simple one-dimensional electrochemical button cells to quasi-two-dimensional co-flow planar cells, to demonstrate the effectiveness of the computational tool for performance and design optimization.

Integrated Reflection Seismic Monitoring and Reservoir Modeling for Geologic CO2 Sequestration

Energy Technology Data Exchange (ETDEWEB)

John Rogers

2011-12-31

The US DOE/NETL CCS MVA program funded a project with Fusion Petroleum Technologies Inc. (now SIGMA) to model the proof of concept of using sparse seismic data in the monitoring of CO{sub 2} injected into saline aquifers. The goal of the project was to develop and demonstrate an active source reflection seismic imaging strategy based on deployment of spatially sparse surface seismic arrays. The primary objective was to test the feasibility of sparse seismic array systems to monitor the CO{sub 2} plume migration injected into deep saline aquifers. The USDOE/RMOTC Teapot Dome (Wyoming) 3D seismic and reservoir data targeting the Crow Mountain formation was used as a realistic proxy to evaluate the feasibility of the proposed methodology. Though the RMOTC field has been well studied, the Crow Mountain as a saline aquifer has not been studied previously as a CO{sub 2} sequestration (storage) candidate reservoir. A full reprocessing of the seismic data from field tapes that included prestack time migration (PSTM) followed by prestack depth migration (PSDM) was performed. A baseline reservoir model was generated from the new imaging results that characterized the faults and horizon surfaces of the Crow Mountain reservoir. The 3D interpretation was integrated with the petrophysical data from available wells and incorporated into a geocellular model. The reservoir structure used in the geocellular model was developed using advanced inversion technologies including Fusion's ThinMAN{trademark} broadband spectral inversion. Seal failure risk was assessed using Fusion's proprietary GEOPRESS{trademark} pore pressure and fracture pressure prediction technology. CO{sub 2} injection was simulated into the Crow Mountain with a commercial reservoir simulator. Approximately 1.2MM tons of CO{sub 2} was simulated to be injected into the Crow Mountain reservoir over 30 years and subsequently let 'soak' in the reservoir for 970 years. The relatively small plume

Geomechanical Modeling for Improved CO2 Storage Security

Science.gov (United States)

Rutqvist, J.; Rinaldi, A. P.; Cappa, F.; Jeanne, P.; Mazzoldi, A.; Urpi, L.; Vilarrasa, V.; Guglielmi, Y.

2017-12-01

This presentation summarizes recent modeling studies on geomechanical aspects related to Geologic Carbon Sequestration (GCS,) including modeling potential fault reactivation, seismicity and CO2 leakage. The model simulations demonstrates that the potential for fault reactivation and the resulting seismic magnitude as well as the potential for creating a leakage path through overburden sealing layers (caprock) depends on a number of parameters such as fault orientation, stress field, and rock properties. The model simulations further demonstrate that seismic events large enough to be felt by humans requires brittle fault properties as well as continuous fault permeability allowing for the pressure to be distributed over a large fault patch to be ruptured at once. Heterogeneous fault properties, which are commonly encountered in faults intersecting multilayered shale/sandstone sequences, effectively reduce the likelihood of inducing felt seismicity and also effectively impede upward CO2 leakage. Site specific model simulations of the In Salah CO2 storage site showed that deep fractured zone responses and associated seismicity occurred in the brittle fractured sandstone reservoir, but at a very substantial reservoir overpressure close to the magnitude of the least principal stress. It is suggested that coupled geomechanical modeling be used to guide the site selection and assisting in identification of locations most prone to unwanted and damaging geomechanical changes, and to evaluate potential consequence of such unwanted geomechanical changes. The geomechanical modeling can be used to better estimate the maximum sustainable injection rate or reservoir pressure and thereby provide for improved CO2 storage security. Whether damaging geomechanical changes could actually occur very much depends on the local stress field and local reservoir properties such the presence of ductile rock and faults (which can aseismically accommodate for the stress and strain induced by

Assessment of CO2 Storage Potential in Naturally Fractured Reservoirs With Dual-Porosity Models

Science.gov (United States)

March, Rafael; Doster, Florian; Geiger, Sebastian

2018-03-01

Naturally Fractured Reservoirs (NFR's) have received little attention as potential CO2 storage sites. Two main facts deter from storage projects in fractured reservoirs: (1) CO2 tends to be nonwetting in target formations and capillary forces will keep CO2 in the fractures, which typically have low pore volume; and (2) the high conductivity of the fractures may lead to increased spatial spreading of the CO2 plume. Numerical simulations are a powerful tool to understand the physics behind brine-CO2 flow in NFR's. Dual-porosity models are typically used to simulate multiphase flow in fractured formations. However, existing dual-porosity models are based on crude approximations of the matrix-fracture fluid transfer processes and often fail to capture the dynamics of fluid exchange accurately. Therefore, more accurate transfer functions are needed in order to evaluate the CO2 transfer to the matrix. This work presents an assessment of CO2 storage potential in NFR's using dual-porosity models. We investigate the impact of a system of fractures on storage in a saline aquifer, by analyzing the time scales of brine drainage by CO2 in the matrix blocks and the maximum CO2 that can be stored in the rock matrix. A new model to estimate drainage time scales is developed and used in a transfer function for dual-porosity simulations. We then analyze how injection rates should be limited in order to avoid early spill of CO2 (lost control of the plume) on a conceptual anticline model. Numerical simulations on the anticline show that naturally fractured reservoirs may be used to store CO2.

SIMULATION FRAMEWORK FOR REGIONAL GEOLOGIC CO{sub 2} STORAGE ALONG ARCHES PROVINCE OF MIDWESTERN UNITED STATES

Energy Technology Data Exchange (ETDEWEB)

Sminchak, Joel

2012-09-30

This report presents final technical results for the project Simulation Framework for Regional Geologic CO{sub 2} Storage Infrastructure along Arches Province of the Midwest United States. The Arches Simulation project was a three year effort designed to develop a simulation framework for regional geologic carbon dioxide (CO{sub 2}) storage infrastructure along the Arches Province through development of a geologic model and advanced reservoir simulations of large-scale CO{sub 2} storage. The project included five major technical tasks: (1) compilation of geologic, hydraulic and injection data on Mount Simon, (2) development of model framework and parameters, (3) preliminary variable density flow simulations, (4) multi-phase model runs of regional storage scenarios, and (5) implications for regional storage feasibility. The Arches Province is an informal region in northeastern Indiana, northern Kentucky, western Ohio, and southern Michigan where sedimentary rock formations form broad arch and platform structures. In the province, the Mount Simon sandstone is an appealing deep saline formation for CO{sub 2} storage because of the intersection of reservoir thickness and permeability. Many CO{sub 2} sources are located in proximity to the Arches Province, and the area is adjacent to coal fired power plants along the Ohio River Valley corridor. Geophysical well logs, rock samples, drilling logs, and geotechnical tests were evaluated for a 500,000 km{sup 2} study area centered on the Arches Province. Hydraulic parameters and historical operational information was also compiled from Mount Simon wastewater injection wells in the region. This information was integrated into a geocellular model that depicts the parameters and conditions in a numerical array. The geologic and hydraulic data were integrated into a three-dimensional grid of porosity and permeability, which are key parameters regarding fluid flow and pressure buildup due to CO{sub 2} injection. Permeability data

An approach to speed up simulation time of WAG-CO{sub 2} process; Uma abordagem para reducao do tempo de simulacao do processo WAG-CO{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Ligero, Eliana Luci [Centro de Estudos de Petroleo (CEPETRO/UNICAMP), SP (Brazil); Schiozer, Denis Jose [Universidade Estadual de Campinas (DEP/FEM/UNICAMP), SP (Brazil). Fac. de Engenharia Mecanica. Dept. de Engenharia de Petroleo

2012-07-01

The use of CO{sub 2} in EOR processes is an attractive alternative to increase oil recovery and, at the same time, to avoid the emission of CO{sub 2} into the atmosphere. The possibility of CO{sub 2} injections is not limited to depleted reservoirs or to reservoirs after waterflooding, but also to reservoirs in the initial phase of their lives. A possible manner to inject CO{sub 2} is through the WAG process that combines the advantages of the two injection processes. The rigorous simulation of the WAG process is executed by a compositional formulation instead the simplified Black-Oil formulation. The compositional formulation requires more computational time to run a simulation model. Also, the procedure to shut-in and shut-off the injector wells alternately, to change the injection fluid, will once again increase the computational time of the WAG process. For this reason, a numerical approach was investigated in order to reduce this computational time. In this approach, called Pseudo WAG, water and CO{sub 2} are simultaneously injected into the simulation model, maintaining the same quantity of injection fluid as in the WAG process. The possibility of the Pseudo WAG to adequately represent the physical phenomena resulting from WAG-CO{sub 2} was investigated using a commercial and compositional simulator. The simulation runs executed for light oil with dissolved CO{sub 2} indicated that the WAG-CO{sub 2} process was effective for oil recovery. For the studied cases, the Pseudo WAG was capable of adequately representing the WAG-CO{sub 2} process, thus validating the proposed approach, providing a significant reduction in the computational time.(author)

Atmosphere-soil-vegetation model including CO2 exchange processes: SOLVEG2

International Nuclear Information System (INIS)

Nagai, Haruyasu

2004-11-01

A new atmosphere-soil-vegetation model named SOLVEG2 (SOLVEG version 2) was developed to study the heat, water, and CO 2 exchanges between the atmosphere and land-surface. The model consists of one-dimensional multilayer sub-models for the atmosphere, soil, and vegetation. It also includes sophisticated processes for solar and long-wave radiation transmission in vegetation canopy and CO 2 exchanges among the atmosphere, soil, and vegetation. Although the model usually simulates only vertical variation of variables in the surface-layer atmosphere, soil, and vegetation canopy by using meteorological data as top boundary conditions, it can be used by coupling with a three-dimensional atmosphere model. In this paper, details of SOLVEG2, which includes the function of coupling with atmosphere model MM5, are described. (author)

Error characterization of CO2 vertical mixing in the atmospheric transport model WRF-VPRM

Directory of Open Access Journals (Sweden)

U. Karstens

2012-03-01

Full Text Available One of the dominant uncertainties in inverse estimates of regional CO2 surface-atmosphere fluxes is related to model errors in vertical transport within the planetary boundary layer (PBL. In this study we present the results from a synthetic experiment using the atmospheric model WRF-VPRM to realistically simulate transport of CO2 for large parts of the European continent at 10 km spatial resolution. To elucidate the impact of vertical mixing error on modeled CO2 mixing ratios we simulated a month during the growing season (August 2006 with different commonly used parameterizations of the PBL (Mellor-Yamada-Janjić (MYJ and Yonsei-University (YSU scheme. To isolate the effect of transport errors we prescribed the same CO2 surface fluxes for both simulations. Differences in simulated CO2 mixing ratios (model bias were on the order of 3 ppm during daytime with larger values at night. We present a simple method to reduce this bias by 70–80% when the true height of the mixed layer is known.

Co-simulation of dynamic systems in parallel and serial model configurations

International Nuclear Information System (INIS)

Sweafford, Trevor; Yoon, Hwan Sik

2013-01-01

Recent advancement in simulation software and computation hardware make it realizable to simulate complex dynamic systems comprised of multiple submodels developed in different modeling languages. The so-called co-simulation enables one to study various aspects of a complex dynamic system with heterogeneous submodels in a cost-effective manner. Among several different model configurations for co-simulation, synchronized parallel configuration is regarded to expedite the simulation process by simulation multiple sub models concurrently on a multi core processor. In this paper, computational accuracies as well as computation time are studied for three different co-simulation frameworks : integrated, serial, and parallel. for this purpose, analytical evaluations of the three different methods are made using the explicit Euler method and then they are applied to two-DOF mass-spring systems. The result show that while the parallel simulation configuration produces the same accurate results as the integrated configuration, results of the serial configuration, results of the serial configuration show a slight deviation. it is also shown that the computation time can be reduced by running simulation in the parallel configuration. Therefore, it can be concluded that the synchronized parallel simulation methodology is the best for both simulation accuracy and time efficiency.

REDUCING UNCERTAINTIES IN MODEL PREDICTIONS VIA HISTORY MATCHING OF CO2 MIGRATION AND REACTIVE TRANSPORT MODELING OF CO2 FATE AT THE SLEIPNER PROJECT

Energy Technology Data Exchange (ETDEWEB)

Zhu, Chen

2015-03-31

An important question for the Carbon Capture, Storage, and Utility program is “can we adequately predict the CO2 plume migration?” For tracking CO2 plume development, the Sleipner project in the Norwegian North Sea provides more time-lapse seismic monitoring data than any other sites, but significant uncertainties still exist for some of the reservoir parameters. In Part I, we assessed model uncertainties by applying two multi-phase compositional simulators to the Sleipner Benchmark model for the uppermost layer (Layer 9) of the Utsira Sand and calibrated our model against the time-lapsed seismic monitoring data for the site from 1999 to 2010. Approximate match with the observed plume was achieved by introducing lateral permeability anisotropy, adding CH4 into the CO2 stream, and adjusting the reservoir temperatures. Model-predicted gas saturation, CO2 accumulation thickness, and CO2 solubility in brine—none were used as calibration metrics—were all comparable with the interpretations of the seismic data in the literature. In Part II & III, we evaluated the uncertainties of predicted long-term CO2 fate up to 10,000 years, due to uncertain reaction kinetics. Under four scenarios of the kinetic rate laws, the temporal and spatial evolution of CO2 partitioning into the four trapping mechanisms (hydrodynamic/structural, solubility, residual/capillary, and mineral) was simulated with ToughReact, taking into account the CO2-brine-rock reactions and the multi-phase reactive flow and mass transport. Modeling results show that different rate laws for mineral dissolution and precipitation reactions resulted in different predicted amounts of trapped CO2 by carbonate minerals, with scenarios of the conventional linear rate law for feldspar dissolution having twice as much mineral trapping (21% of the injected CO2) as scenarios with a Burch-type or Alekseyev et al.–type rate law for feldspar dissolution (11%). So far, most reactive transport modeling (RTM) studies for

Simulation with models of increasing complexity of CO2 emissions and nitrogen mineralisation, after soil application of labelled pig slurry and maize stalks

Science.gov (United States)

Bechini, Luca; Marino Gallina, Pietro; Geromel, Gabriele; Corti, Martina; Cavalli, Daniele

2015-04-01

High amounts of nitrogen are available per unit area in regions with intensive livestock operations. In swine farms, pig slurries are frequently incorporated in the soil together with maize stalks. Simulation models may help to understand nitrogen dynamics associated with animal manure and crop residue decomposition in the soil, and to support the definition of best management practices. The objective of this work was to test the ability of different models to simulate CO2 emissions and nitrogen mineralisation during a laboratory incubation (under optimal soil water content and constant temperature) of maize stalks (ST) and pig slurry (PS). A loam soil was amended with labelled (15N) or unlabelled maize stalks and pig slurries, in the presence of ammonium sulphate (AS). These treatments were established: unfertilised soil; ST15 + AS + PS; ST + AS15 + PS; and ST + AS + PS15. During 180 days, we measured CO2 emissions; microbial biomass C, N, and 15N; and soil mineral N (SMN and SM-15N). Three models of increasing complexity were calibrated using measured data. The models were two modifications of ICBM 2B/N (Kätterer and Andrén, 2001) and CN-SIM (Petersen et al., 2005). The three models simulated rather accurately the emissions of CO2 throughout the incubation period (Relative Root Mean Squared Error, RRMSE = 8-25). The simplest model (with one pool for ST and one for PS) strongly overestimated SMN immobilisation from day 3 to day 21, both in the treatments with AS15 and PS15 (RRMSE = 27-30%). The other two models represented rather well the dynamics of SMN in the soil (RRMSE = 21-25%), simulating a fast increase of nitrate concentration in the first days, and slower rates of nitrification thereafter. Worse performances were obtained with all models for the simulation of SM-15N in the treatment with ST15 (RRMSE = 64-104%): experimental data showed positive mineralization of stalk-derived N from the beginning of the incubation, while models strongly underestimated

Simplified Predictive Models for CO2 Sequestration Performance Assessment

Science.gov (United States)

Mishra, Srikanta; RaviGanesh, Priya; Schuetter, Jared; Mooney, Douglas; He, Jincong; Durlofsky, Louis

2014-05-01

We present results from an ongoing research project that seeks to develop and validate a portfolio of simplified modeling approaches that will enable rapid feasibility and risk assessment for CO2 sequestration in deep saline formation. The overall research goal is to provide tools for predicting: (a) injection well and formation pressure buildup, and (b) lateral and vertical CO2 plume migration. Simplified modeling approaches that are being developed in this research fall under three categories: (1) Simplified physics-based modeling (SPM), where only the most relevant physical processes are modeled, (2) Statistical-learning based modeling (SLM), where the simulator is replaced with a "response surface", and (3) Reduced-order method based modeling (RMM), where mathematical approximations reduce the computational burden. The system of interest is a single vertical well injecting supercritical CO2 into a 2-D layered reservoir-caprock system with variable layer permeabilities. In the first category (SPM), we use a set of well-designed full-physics compositional simulations to understand key processes and parameters affecting pressure propagation and buoyant plume migration. Based on these simulations, we have developed correlations for dimensionless injectivity as a function of the slope of fractional-flow curve, variance of layer permeability values, and the nature of vertical permeability arrangement. The same variables, along with a modified gravity number, can be used to develop a correlation for the total storage efficiency within the CO2 plume footprint. In the second category (SLM), we develop statistical "proxy models" using the simulation domain described previously with two different approaches: (a) classical Box-Behnken experimental design with a quadratic response surface fit, and (b) maximin Latin Hypercube sampling (LHS) based design with a Kriging metamodel fit using a quadratic trend and Gaussian correlation structure. For roughly the same number of

Modelling CO2-Brine Interfacial Tension using Density Gradient Theory

KAUST Repository

Ruslan, Mohd Fuad Anwari Che

2018-03-01

Knowledge regarding carbon dioxide (CO2)-brine interfacial tension (IFT) is important for petroleum industry and Carbon Capture and Storage (CCS) strategies. In petroleum industry, CO2-brine IFT is especially importance for CO2 – based enhanced oil recovery strategy as it affects phase behavior and fluid transport in porous media. CCS which involves storing CO2 in geological storage sites also requires understanding regarding CO2-brine IFT as this parameter affects CO2 quantity that could be securely stored in the storage site. Several methods have been used to compute CO2-brine interfacial tension. One of the methods employed is by using Density Gradient Theory (DGT) approach. In DGT model, IFT is computed based on the component density distribution across the interface. However, current model is only applicable for modelling low to medium ionic strength solution. This limitation is due to the model only considers the increase of IFT due to the changes of bulk phases properties and does not account for ion distribution at interface. In this study, a new modelling strategy to compute CO2-brine IFT based on DGT was proposed. In the proposed model, ion distribution across interface was accounted for by separating the interface to two sections. The saddle point of tangent plane distance where ( ) was defined as the boundary separating the two sections of the interface. Electrolyte is assumed to be present only in the second section which is connected to the bulk liquid phase side. Numerical simulations were performed using the proposed approach for single and mixed salt solutions for three salts (NaCl, KCl, and CaCl2), for temperature (298 K to 443 K), pressure (2 MPa to 70 MPa), and ionic strength (0.085 mol·kg-1 to 15 mol·kg-1). The simulation result shows that the tuned model was able to predict with good accuracy CO2-brine IFT for all studied cases. Comparison with current DGT model showed that the proposed approach yields better match with the experiment data

How Accurately Do Maize Crop Models Simulate the Interactions of Atmospheric CO2 Concentration Levels With Limited Water Supply on Water Use and Yield?

Science.gov (United States)

Durand, Jean-Louis; Delusca, Kenel; Boote, Ken; Lizaso, Jon; Manderscheid, Remy; Weigel, Hans Johachim; Ruane, Alexander Clark; Rosenzweig, Cynthia E.; Jones, Jim; Ahuja, Laj;

Modeling CO2 emissions from fossil fuel combustion using the logistic equation

International Nuclear Information System (INIS)

Meng, Ming; Niu, Dongxiao

2011-01-01

CO 2 emissions from fossil fuel combustion have been known to contribute to the greenhouse effect. Research on emission trends and further forecasting their further values is important for adjusting energy policies, particularly those relative to low carbon. Except for a few countries, the main figures of CO 2 emission from fossil fuel combustion in other countries are S-shaped curves. The logistic function is selected to simulate the S-shaped curve, and to improve the goodness of fit, three algorithms were provided to estimate its parameters. Considering the different emission characteristics of different industries, the three algorithms estimated the parameters of CO 2 emission in each industry separately. The most suitable parameters for each industry are selected based on the criterion of Mean Absolute Percentage Error (MAPE). With the combined simulation values of the selected models, the estimate of total CO 2 emission from fossil fuel combustion is obtained. The empirical analysis of China shows that our method is better than the linear model in terms of goodness of fit and simulation risk. -- Highlights: → Figures of CO 2 emissions from fossil fuel combustion in most countries are S-shape curves. → Using the logistic function to model the S-shape curve. → Three algorithms are offered to estimate the parameters of the logistic function. → The empirical analysis from China shows that the logistic equation has satisfactory simulation results.

CO2 and the hydrologic cycle: Simulation of two Texas river basins

International Nuclear Information System (INIS)

King, K.W.; Srinivasan, R.; Arnold, J.G.; Williams, J.R.

1994-01-01

Increasing concentrations of CO 2 , in the atmosphere have been speculated to have a major effect on water supplies as well as other ecological characteristics. SWAT (Soil Water Assessment Tool) is a river basin scale hydrologic model that was modified to simulate the impact of CO 2 concentration on ET and biomass production. The model was utilized to analyze the impact of global climate change on two contrasting Texas basins. Climatic changes included doubling of CO 2 concentration from 330 ppm to 660 ppm and varying temperatures 0, ±2, and ±4 C from present values. Potential impacts of six hydrologic parameters including ET, potential ET, water yield, water stress, soil water, and biomass were simulated. CO 2 doubling had a more pronounced effect than did temperature variances. When temperature alone was varied, water yield at the outlet of the basins ranged from -4.4% to 6.5% for basin 1202 and from 2.9% to 26.7% for basin 1208. But, when coupled with an elevated CO 2 concentration, water yields increased in the range of 13.1% to 24.5% for basin 1202 and 5.6% to 33.7% for basin 1208. Rising CO 2 levels reduced ET for both basins, representing an enhanced water use efficiency. Seasonal fluctuations of soil water were a result of different growing periods and are evident from water stress encountered by the plant. With enriched CO 2 levels, increases in biomass production ranged from 6.9% to 47.4% and from 14.5 % to 31.4% for basins 1202 and 1208, respectively. 42 refs., 10 figs., 2 tabs

Using interactive model simulations in co-design : An experiment in urban design

NARCIS (Netherlands)

Steen, M.G.D.; Arendsen, J.; Cremers, A.H.M.; Vries, A. de; Jong, J.M.G. de; Koning, N.M. de

2013-01-01

This paper presents an experiment in which people performed a co-design task in urban design, using a multi-user touch table application with or without interactive model simulations. We hypothesised that using the interactive model simulations would improve communication and co-operation between

Model complexity and choice of model approaches for practical simulations of CO₂ injection, migration, leakage and long-term fate

Energy Technology Data Exchange (ETDEWEB)

Celia, Michael A. [Princeton Univ., NJ (United States)

2016-12-30

This report documents the accomplishments achieved during the project titled “Model complexity and choice of model approaches for practical simulations of CO₂ injection,migration, leakage and long-term fate” funded by the US Department of Energy, Office of Fossil Energy. The objective of the project was to investigate modeling approaches of various levels of complexity relevant to geologic carbon storage (GCS) modeling with the goal to establish guidelines on choice of modeling approach.

Mesoscale modelling of atmospheric CO2 across Denmark

DEFF Research Database (Denmark)

Lansø, Anne Sofie

2016-01-01

of the simulated atmospheric CO2 across Denmark was, in particular, affected by the Danish terrestrial surface exchanges and its temporal variability. This study urges all future modelling studies of air–sea CO2 to include short-term variability in pCO2. To capture the full heterogeneity of the surface exchanges......It is scientifically well-established that the increase of atmospheric CO2 affects the entire globe and will lead to higher surface temperatures. Although anthropogenic CO2is emitted straight into the atmosphere, it does not all contribute to the existing atmospheric CO2 reservoir. Approximately 29......% is taken up by the global oceans, due to under-saturation of CO2 in the surface waters, while another 33 % is taken up by the terrestrial biosphere, via photosynthesis. In order to estimate the effects of increasing anthropogenic emissions of CO2 more accurately in the future, it is essential to understand...

Preliminary Simulations of CO2 Transport in the Dolostone Formations in the Ordos Basin, China

Energy Technology Data Exchange (ETDEWEB)

Hao, Y; Wolery, T; Carroll, S

2009-04-30

This report summarizes preliminary 2-D reactive-transport simulations on the injection, storage and transport of supercritical CO{sub 2} in dolostone formations in the Ordos Basin in China. The purpose of the simulations was to evaluate the role that basin heterogeneity, permeability, CO{sub 2} flux, and geochemical reactions between the carbonate geology and the CO{sub 2} equilibrated brines have on the evolution of porosity and permeability in the storage reservoir. The 2-D simulation of CO{sub 2} injection at 10{sup 3} ton/year corresponds to CO{sub 2} injection at a rate of 3 x 10{sup 5} ton/year in a 3-D, low permeable rock. An average permeability of 10 md was used in the simulation and reflects the upper range of permeability reported for the Ordos Basin Majiagou Group. Transport and distribution of CO{sub 2} between in the gas, aqueous, and solid phases were followed during a 10-year injection phase and a 10-year post injection phase. Our results show that CO{sub 2} flux and the spatial distribution of reservoir permeability will dictate the transport of CO{sub 2} in the injection and post injection phases. The injection rate of supercritical CO{sub 2} into low permeable reservoirs may need to be adjusted to avoid over pressure and mechanical damage to the reservoir. Although it should be noted that 3-D simulations are needed to more accurately model pressure build-up in the injection phase. There is negligible change in porosity and permeability due to carbonate mineral dissolution or anhydrite precipitation because a very small amount of carbonate dissolution is required to reach equilibrium with respect these phases. Injected CO{sub 2} is stored largely in supercritical and dissolved phases. During the injection phase, CO{sub 2} is transport driven by pressure build up and CO{sub 2} buoyancy.

SIMULATION FRAMEWORK FOR REGIONAL GEOLOGIC CO{sub 2} STORAGE ALONG ARCHES PROVINCE OF MIDWESTERN UNITED STATES

Energy Technology Data Exchange (ETDEWEB)

Sminchak, Joel

2012-09-30

This report presents final technical results for the project Simulation Framework for Regional Geologic CO{sub 2} Storage Infrastructure along Arches Province of the Midwest United States. The Arches Simulation project was a three year effort designed to develop a simulation framework for regional geologic carbon dioxide (CO{sub 2}) storage infrastructure along the Arches Province through development of a geologic model and advanced reservoir simulations of large-scale CO{sub 2} storage. The project included five major technical tasks: (1) compilation of geologic, hydraulic and injection data on Mount Simon, (2) development of model framework and parameters, (3) preliminary variable density flow simulations, (4) multi-phase model runs of regional storage scenarios, and (5) implications for regional storage feasibility. The Arches Province is an informal region in northeastern Indiana, northern Kentucky, western Ohio, and southern Michigan where sedimentary rock formations form broad arch and platform structures. In the province, the Mount Simon sandstone is an appealing deep saline formation for CO{sub 2} storage because of the intersection of reservoir thickness and permeability. Many CO{sub 2} sources are located in proximity to the Arches Province, and the area is adjacent to coal fired power plants along the Ohio River Valley corridor. Geophysical well logs, rock samples, drilling logs, and geotechnical tests were evaluated for a 500,000 km{sup 2} study area centered on the Arches Province. Hydraulic parameters and historical operational information was also compiled from Mount Simon wastewater injection wells in the region. This information was integrated into a geocellular model that depicts the parameters and conditions in a numerical array. The geologic and hydraulic data were integrated into a three-dimensional grid of porosity and permeability, which are key parameters regarding fluid flow and pressure buildup due to CO{sub 2} injection. Permeability data

The Impact of Prior Biosphere Models in the Inversion of Global Terrestrial CO2 Fluxes by Assimilating OCO-2 Retrievals

Science.gov (United States)

Philip, Sajeev; Johnson, Matthew S.

2018-01-01

Atmospheric mixing ratios of carbon dioxide (CO2) are largely controlled by anthropogenic emissions and biospheric fluxes. The processes controlling terrestrial biosphere-atmosphere carbon exchange are currently not fully understood, resulting in terrestrial biospheric models having significant differences in the quantification of biospheric CO2 fluxes. Atmospheric transport models assimilating measured (in situ or space-borne) CO2 concentrations to estimate "top-down" fluxes, generally use these biospheric CO2 fluxes as a priori information. Most of the flux inversion estimates result in substantially different spatio-temporal posteriori estimates of regional and global biospheric CO2 fluxes. The Orbiting Carbon Observatory 2 (OCO-2) satellite mission dedicated to accurately measure column CO2 (XCO2) allows for an improved understanding of global biospheric CO2 fluxes. OCO-2 provides much-needed CO2 observations in data-limited regions facilitating better global and regional estimates of "top-down" CO2 fluxes through inversion model simulations. The specific objectives of our research are to: 1) conduct GEOS-Chem 4D-Var assimilation of OCO-2 observations, using several state-of-the-science biospheric CO2 flux models as a priori information, to better constrain terrestrial CO2 fluxes, and 2) quantify the impact of different biospheric model prior fluxes on OCO-2-assimilated a posteriori CO2 flux estimates. Here we present our assessment of the importance of these a priori fluxes by conducting Observing System Simulation Experiments (OSSE) using simulated OCO-2 observations with known "true" fluxes.

Simulation of Coupled Processes of Flow, Transport, and Storage of CO₂ in Saline Aquifers

Energy Technology Data Exchange (ETDEWEB)

Wu, Yu-Shu [Colorado School of Mines, Golden, CO (United States); Chen, Zizhong [Univ. of California, Riverside, CA (United States); Kazemi, Hossein [Colorado School of Mines, Golden, CO (United States); Yin, Xiaolong [Colorado School of Mines, Golden, CO (United States); Pruess, Karsten [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Oldenburg, Curt [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Winterfeld, Philip [Colorado School of Mines, Golden, CO (United States); Zhang, Ronglei [Colorado School of Mines, Golden, CO (United States)

2014-09-30

This report is the final scientific one for the award DE- FE0000988 entitled “Simulation of Coupled Processes of Flow, Transport, and Storage of CO₂ in Saline Aquifers.” The work has been divided into six tasks. In task, “Development of a Three-Phase Non-Isothermal CO₂ Flow Module,” we developed a fluid property module for brine-CO₂ mixtures designed to handle all possible phase combinations of aqueous phase, sub-critical liquid and gaseous CO₂, supercritical CO₂, and solid salt. The thermodynamic and thermophysical properties of brine-CO₂ mixtures (density, viscosity, and specific enthalpy of fluid phases; partitioning of mass components among the different phases) use the same correlations as an earlier fluid property module that does not distinguish between gaseous and liquid CO₂-rich phases. We verified the fluid property module using two leakage scenarios, one that involves CO₂ migration up a blind fault and subsequent accumulation in a secondary “parasitic” reservoir at shallower depth, and another investigating leakage of CO₂ from a deep storage reservoir along a vertical fault zone. In task, “Development of a Rock Mechanical Module,” we developed a massively parallel reservoir simulator for modeling THM processes in porous media brine aquifers. We derived, from the fundamental equations describing deformation of porous elastic media, a momentum conservation equation relating mean stress, pressure, and temperature, and incorporated it alongside the mass and energy conservation equations from the TOUGH2 formulation, the starting point for the simulator. In addition, rock properties, namely permeability and porosity, are functions of effective stress and other variables that are obtained from the literature. We verified the simulator formulation and numerical implementation using analytical solutions and example problems from the literature. For

Compiled records of carbon isotopes in atmospheric CO2 for historical simulations in CMIP6

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H. Graven

2017-12-01

Full Text Available The isotopic composition of carbon (Δ14C and δ13C in atmospheric CO2 and in oceanic and terrestrial carbon reservoirs is influenced by anthropogenic emissions and by natural carbon exchanges, which can respond to and drive changes in climate. Simulations of 14C and 13C in the ocean and terrestrial components of Earth system models (ESMs present opportunities for model evaluation and for investigation of carbon cycling, including anthropogenic CO2 emissions and uptake. The use of carbon isotopes in novel evaluation of the ESMs' component ocean and terrestrial biosphere models and in new analyses of historical changes may improve predictions of future changes in the carbon cycle and climate system. We compile existing data to produce records of Δ14C and δ13C in atmospheric CO2 for the historical period 1850–2015. The primary motivation for this compilation is to provide the atmospheric boundary condition for historical simulations in the Coupled Model Intercomparison Project 6 (CMIP6 for models simulating carbon isotopes in the ocean or terrestrial biosphere. The data may also be useful for other carbon cycle modelling activities.

Compiled records of carbon isotopes in atmospheric CO2 for historical simulations in CMIP6

Science.gov (United States)

Graven, Heather; Allison, Colin E.; Etheridge, David M.; Hammer, Samuel; Keeling, Ralph F.; Levin, Ingeborg; Meijer, Harro A. J.; Rubino, Mauro; Tans, Pieter P.; Trudinger, Cathy M.; Vaughn, Bruce H.; White, James W. C.

2017-12-01

The isotopic composition of carbon (Δ14C and δ13C) in atmospheric CO2 and in oceanic and terrestrial carbon reservoirs is influenced by anthropogenic emissions and by natural carbon exchanges, which can respond to and drive changes in climate. Simulations of 14C and 13C in the ocean and terrestrial components of Earth system models (ESMs) present opportunities for model evaluation and for investigation of carbon cycling, including anthropogenic CO2 emissions and uptake. The use of carbon isotopes in novel evaluation of the ESMs' component ocean and terrestrial biosphere models and in new analyses of historical changes may improve predictions of future changes in the carbon cycle and climate system. We compile existing data to produce records of Δ14C and δ13C in atmospheric CO2 for the historical period 1850-2015. The primary motivation for this compilation is to provide the atmospheric boundary condition for historical simulations in the Coupled Model Intercomparison Project 6 (CMIP6) for models simulating carbon isotopes in the ocean or terrestrial biosphere. The data may also be useful for other carbon cycle modelling activities.

System-level modeling for economic evaluation of geological CO2 storage in gas reservoirs

International Nuclear Information System (INIS)

Zhang, Yingqi; Oldenburg, Curtis M.; Finsterle, Stefan; Bodvarsson, Gudmundur S.

2007-01-01

One way to reduce the effects of anthropogenic greenhouse gases on climate is to inject carbon dioxide (CO 2 ) from industrial sources into deep geological formations such as brine aquifers or depleted oil or gas reservoirs. Research is being conducted to improve understanding of factors affecting particular aspects of geological CO 2 storage (such as storage performance, storage capacity, and health, safety and environmental (HSE) issues) as well as to lower the cost of CO 2 capture and related processes. However, there has been less emphasis to date on system-level analyses of geological CO 2 storage that consider geological, economic, and environmental issues by linking detailed process models to representations of engineering components and associated economic models. The objective of this study is to develop a system-level model for geological CO 2 storage, including CO 2 capture and separation, compression, pipeline transportation to the storage site, and CO 2 injection. Within our system model we are incorporating detailed reservoir simulations of CO 2 injection into a gas reservoir and related enhanced production of methane. Potential leakage and associated environmental impacts are also considered. The platform for the system-level model is GoldSim [GoldSim User's Guide. GoldSim Technology Group; 2006, http://www.goldsim.com]. The application of the system model focuses on evaluating the feasibility of carbon sequestration with enhanced gas recovery (CSEGR) in the Rio Vista region of California. The reservoir simulations are performed using a special module of the TOUGH2 simulator, EOS7C, for multicomponent gas mixtures of methane and CO 2 . Using a system-level modeling approach, the economic benefits of enhanced gas recovery can be directly weighed against the costs and benefits of CO 2 injection

A mechanistic diagnosis of the simulation of soil CO2 efflux of the ACME Land Model

Science.gov (United States)

Liang, J.; Ricciuto, D. M.; Wang, G.; Gu, L.; Hanson, P. J.; Mayes, M. A.

2017-12-01

Accurate simulation of the CO2 efflux from soils (i.e., soil respiration) to the atmosphere is critical to project global biogeochemical cycles and the magnitude of climate change in Earth system models (ESMs). Currently, the simulated soil respiration by ESMs still have a large uncertainty. In this study, a mechanistic diagnosis of soil respiration in the Accelerated Climate Model for Energy (ACME) Land Model (ALM) was conducted using long-term observations at the Missouri Ozark AmeriFlux (MOFLUX) forest site in the central U.S. The results showed that the ALM default run significantly underestimated annual soil respiration and gross primary production (GPP), while incorrectly estimating soil water potential. Improved simulations of soil water potential with site-specific data significantly improved the modeled annual soil respiration, primarily because annual GPP was simultaneously improved. Therefore, accurate simulations of soil water potential must be carefully calibrated in ESMs. Despite improved annual soil respiration, the ALM continued to underestimate soil respiration during peak growing seasons, and to overestimate soil respiration during non-peak growing seasons. Simulations involving increased GPP during peak growing seasons increased soil respiration, while neither improved plant phenology nor increased temperature sensitivity affected the simulation of soil respiration during non-peak growing seasons. One potential reason for the overestimation of the soil respiration during non-peak growing seasons may be that the current model structure is substrate-limited, while microbial dormancy under stress may cause the system to become decomposer-limited. Further studies with more microbial data are required to provide adequate representation of soil respiration and to understand the underlying reasons for inaccurate model simulations.

MODEL SIMULASI EMISI DAN PENYERAPAN CO2 DI KOTA BOGOR

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Rizka Permatayakti Rasyidta Nur

2015-04-01

Full Text Available Most of the urban pollution is the result of carbon dioxide (CO2 emission from human activities. This research identified CO2 emission and absorption in Bogor, and also the alternatives to solve the emission problem by system model and simulation. CO2 emission and absorption system model was created using software Stella 9.0.2 based on loss-gain emission concept for 30 years prediction. Human activities that contribute to CO2 emission are transportation, industries, energy consumption such as fuel or electricity, house hold waste, and farms, while the decrease factor is green open spaces as CO2 sequester. The alternatives to solve emission problem in Bogor is created based on green city concept by including the environmental aspects in every urban activity. The result of this research, the CO2 emission of Bogor reached 20.027.878 tons and the absorption reached 93.843 tons in 2042. Combined mitigation alternatives in several sectors could reduce CO2 emission by 2.797.667 tons in 2042 and CO2 emission could be neutralized by reforestation in 2036.

Using atmospheric CO2 data to assess a simplified carbon-climate simulation for the 20th century

International Nuclear Information System (INIS)

Law, Rachel M.; Kowalczyk, Eva A.; Wangs, Ying-Ping

2006-01-01

The CSIRO biosphere model has been coupled to an atmosphere model and a simulation has been performed for the 20th century. Both biosphere and atmosphere are forced with global CO 2 concentration and the atmosphere is also forced with prescribed sea surface temperatures. The simulation follows the C4MIP Phase 1 protocol. We assess the model simulation using atmospheric CO 2 data. Mauna Loa growth rate is well simulated from 1980 but overestimated before that time. The interannual variations in growth rate are reasonably reproduced. Seasonal cycles are underestimated in northern mid-latitudes and are out of phase in the southern hemisphere. The north-south gradient of annual mean CO 2 is substantially overestimated due to a northern hemisphere net biosphere source and a southern tropical sink. Diurnal cycles at three northern hemisphere locations are larger than observed in many months, most likely due to larger respiration than observed

Simulation of Stomatal Conductance and Water Use Efficiency of Tomato Leaves Exposed to Different Irrigation Regimes and Air CO2 Concentrations by a Modified "Ball-Berry" Model.

Science.gov (United States)

Wei, Zhenhua; Du, Taisheng; Li, Xiangnan; Fang, Liang; Liu, Fulai

2018-01-01

Stomatal conductance ( g s ) and water use efficiency ( WUE ) of tomato leaves exposed to different irrigation regimes and at ambient CO 2 ( a [CO 2 ], 400 ppm) and elevated CO 2 ( e [CO 2 ], 800 ppm) environments were simulated using the "Ball-Berry" model (BB-model). Data obtained from a preliminary experiment (Exp. I) was used for model parameterization, where measurements of leaf gas exchange of potted tomatoes were done during progressive soil drying for 5 days. The measured photosynthetic rate ( P n ) was used as an input for the model. Considering the effect of soil water deficits on g s , an equation modifying the slope ( m ) based on the mean soil water potential (Ψ s ) in the whole root zone was introduced. Compared to the original BB-model, the modified model showed greater predictability for both g s and WUE of tomato leaves at each [CO 2 ] growth environment. The models were further validated with data obtained from an independent experiment (Exp. II) where plants were subjected to three irrigation regimes: full irrigation (FI), deficit irrigation (DI), and alternative partial root-zone irrigation (PRI) for 40 days at both a [CO 2 ] and e [CO 2 ] environment. The simulation results indicated that g s was independently acclimated to e [CO 2 ] from P n . The modified BB-model performed better in estimating g s and WUE , especially for PRI strategy at both [CO 2 ] environments. A greater WUE could be seen in plants grown under e [CO 2 ] associated with PRI regime. Conclusively, the modified BB-model was capable of predicting g s and WUE of tomato leaves in various irrigation regimes at both a [CO 2 ] and e [CO 2 ] environments. This study could provide valuable information for better predicting plant WUE adapted to the future water-limited and CO 2 enriched environment.

Forecasting carbon budget under climate change and CO2 fertilization for subtropical region in China using integrated biosphere simulator (IBIS) model

Science.gov (United States)

Zhu, Q.; Jiang, H.; Liu, J.; Peng, C.; Fang, X.; Yu, S.; Zhou, G.; Wei, X.; Ju, W.

2011-01-01

The regional carbon budget of the climatic transition zone may be very sensitive to climate change and increasing atmospheric CO2 concentrations. This study simulated the carbon cycles under these changes using process-based ecosystem models. The Integrated Biosphere Simulator (IBIS), a Dynamic Global Vegetation Model (DGVM), was used to evaluate the impacts of climate change and CO2 fertilization on net primary production (NPP), net ecosystem production (NEP), and the vegetation structure of terrestrial ecosystems in Zhejiang province (area 101,800 km2, mainly covered by subtropical evergreen forest and warm-temperate evergreen broadleaf forest) which is located in the subtropical climate area of China. Two general circulation models (HADCM3 and CGCM3) representing four IPCC climate change scenarios (HC3AA, HC3GG, CGCM-sresa2, and CGCM-sresb1) were used as climate inputs for IBIS. Results show that simulated historical biomass and NPP are consistent with field and other modelled data, which makes the analysis of future carbon budget reliable. The results indicate that NPP over the entire Zhejiang province was about 55 Mt C yr-1 during the last half of the 21st century. An NPP increase of about 24 Mt C by the end of the 21st century was estimated with the combined effects of increasing CO2 and climate change. A slight NPP increase of about 5 Mt C was estimated under the climate change alone scenario. Forests in Zhejiang are currently acting as a carbon sink with an average NEP of about 2.5 Mt C yr-1. NEP will increase to about 5 Mt C yr-1 by the end of the 21st century with the increasing atmospheric CO2 concentration and climate change. However, climate change alone will reduce the forest carbon sequestration of Zhejiang's forests. Future climate warming will substantially change the vegetation cover types; warm-temperate evergreen broadleaf forest will be gradually substituted by subtropical evergreen forest. An increasing CO2 concentration will have little

Simulating the integrated summertime Δ14CO2 signature from anthropogenic emissions over Western Europe

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D. Bozhinova

2014-07-01

Full Text Available Radiocarbon dioxide (14CO2, reported in Δ14CO2 can be used to determine the fossil fuel CO2 addition to the atmosphere, since fossil fuel CO2 no longer contains any 14C. After the release of CO2 at the source, atmospheric transport causes dilution of strong local signals into the background and detectable gradients of Δ14CO2 only remain in areas with high fossil fuel emissions. This fossil fuel signal can moreover be partially masked by the enriching effect that anthropogenic emissions of 14CO2 from the nuclear industry have on the atmospheric Δ14CO2 signature. In this paper, we investigate the regional gradients in 14CO2 over the European continent and quantify the effect of the emissions from nuclear industry. We simulate the emissions and transport of fossil fuel CO2 and nuclear 14CO2 for Western Europe using the Weather Research and Forecast model (WRF-Chem for a period covering 6 summer months in 2008. We evaluate the expected CO2 gradients and the resulting Δ14CO2 in simulated integrated air samples over this period, as well as in simulated plant samples. We find that the average gradients of fossil fuel CO2 in the lower 1200 m of the atmosphere are close to 15 ppm at a 12 km × 12 km horizontal resolution. The nuclear influence on Δ14CO2 signatures varies considerably over the domain and for large areas in France and the UK it can range from 20 to more than 500% of the influence of fossil fuel emissions. Our simulations suggest that the resulting gradients in Δ14CO2 are well captured in plant samples, but due to their time-varying uptake of CO2, their signature can be different with over 3‰ from the atmospheric samples in some regions. We conclude that the framework presented will be well-suited for the interpretation of actual air and plant 14CO2 samples.

Long-term surface pCO2 trends from observations and models

International Nuclear Information System (INIS)

Tjiputra, Jerry F.; Olsen, Are; Heinze, Christoph; Bopp, Laurent; Roy, Tilla

2014-01-01

We estimate regional long-term surface ocean pCO 2 growth rates using all available underway and bottled biogeochemistry data collected over the past four decades. These observed regional trends are compared with those simulated by five state-of-the-art Earth system models over the historical period. Oceanic pCO 2 growth rates faster than the atmospheric growth rates indicate decreasing atmospheric CO 2 uptake, while ocean pCO 2 growth rates slower than the atmospheric growth rates indicate increasing atmospheric CO 2 uptake. Aside from the western sub-polar North Pacific and the subtropical North Atlantic, our analysis indicates that the current observation-based basin-scale trends may be underestimated, indicating that more observations are needed to determine the trends in these regions. Encouragingly, good agreement between the simulated and observed pCO 2 trends is found when the simulated fields are sub sampled with the observational coverage. In agreement with observations, we see that the simulated pCO 2 trends are primarily associated with the increase in surface dissolved inorganic carbon (DIC) associated with atmospheric carbon uptake, and in part by warming of the sea surface. Under the RCP8.5 future scenario, DIC continues to be the dominant driver of pCO 2 trends, with little change in the relative contribution of SST. However, the changes in the hydrological cycle play an increasingly important role. For the contemporary (1970-2011) period, the simulated regional pCO 2 trends are lower than the atmospheric growth rate over 90% of the ocean. However, by year 2100 more than 40% of the surface ocean area has a higher oceanic pCO 2 trend than the atmosphere, implying a reduction in the atmospheric CO 2 uptake rate. The fastest pCO 2 growth rates are projected for the sub-polar North Atlantic, while the high-latitude Southern Ocean and eastern equatorial Pacific have the weakest growth rates, remaining below the atmospheric pCO 2 growth rate. Our work

Long-term surface pCO2 trends from observations and models

Directory of Open Access Journals (Sweden)

Jerry F. Tjiputra

2014-05-01

Full Text Available We estimate regional long-term surface ocean pCO2 growth rates using all available underway and bottled biogeochemistry data collected over the past four decades. These observed regional trends are compared with those simulated by five state-of-the-art Earth system models over the historical period. Oceanic pCO2 growth rates faster than the atmospheric growth rates indicate decreasing atmospheric CO2 uptake, while ocean pCO2 growth rates slower than the atmospheric growth rates indicate increasing atmospheric CO2 uptake. Aside from the western subpolar North Pacific and the subtropical North Atlantic, our analysis indicates that the current observation-based basin-scale trends may be underestimated, indicating that more observations are needed to determine the trends in these regions. Encouragingly, good agreement between the simulated and observed pCO2 trends is found when the simulated fields are subsampled with the observational coverage. In agreement with observations, we see that the simulated pCO2 trends are primarily associated with the increase in surface dissolved inorganic carbon (DIC associated with atmospheric carbon uptake, and in part by warming of the sea surface. Under the RCP8.5 future scenario, DIC continues to be the dominant driver of pCO2 trends, with little change in the relative contribution of SST. However, the changes in the hydrological cycle play an increasingly important role. For the contemporary (1970–2011 period, the simulated regional pCO2 trends are lower than the atmospheric growth rate over 90% of the ocean. However, by year 2100 more than 40% of the surface ocean area has a higher oceanic pCO2 trend than the atmosphere, implying a reduction in the atmospheric CO2 uptake rate. The fastest pCO2 growth rates are projected for the subpolar North Atlantic, while the high-latitude Southern Ocean and eastern equatorial Pacific have the weakest growth rates, remaining below the atmospheric pCO2 growth rate. Our work

Uncertainty of Wheat Water Use: Simulated Patterns and Sensitivity to Temperature and CO2

Science.gov (United States)

Cammarano, Davide; Roetter, Reimund P.; Asseng, Senthold; Ewert, Frank; Wallach, Daniel; Martre, Pierre; Hatfield, Jerry L.; Jones, James W.; Rosenzweig, Cynthia E.; Ruane, Alex C.;

Numerical simulation of CO2 leakage from a geologic disposal reservoir, including transitions from super- to sub-critical conditions, and boiling of liquid of CO2

International Nuclear Information System (INIS)

Pruess, Karsten

2003-01-01

The critical point of CO 2 is at temperature and pressure conditions of T crit = 31.04 C, P crit = 73.82 bar. At lower (subcritical) temperatures and/or pressures, CO 2 can exist in two different phase states, a liquid and a gaseous state, as well as in two-phase mixtures of these states. Disposal of CO 2 into brine formations would be made at supercritical pressures. However, CO 2 escaping from the storage reservoir may migrate upwards towards regions with lower temperatures and pressures, where CO 2 would be in subcritical conditions. An assessment of the fate of leaking CO 2 requires a capability to model not only supercritical but also subcritical CO 2 , as well as phase changes between liquid and gaseous CO 2 in sub-critical conditions. We have developed a methodology for numerically simulating the behavior of water-CO 2 mixtures in permeable media under conditions that may include liquid, gaseous, and supercritical CO 2 . This has been applied to simulations of leakage from a deep storage reservoir in which a rising CO 2 plume undergoes transitions from supercritical to subcritical conditions. We find strong cooling effects when liquid CO 2 rises to elevations where it begins to boil and evolve a gaseous CO 2 phase. A three-phase zone forms (aqueous - liquid - gas), which over time becomes several hundred meters thick as decreasing temperatures permit liquid CO 2 to advance to shallower elevations. Fluid mobilities are reduced in the three-phase region from phase interference effects. This impedes CO 2 upflow, causes the plume to spread out laterally, and gives rise to dispersed CO 2 discharge at the land surface. Our simulation suggests that temperatures along a CO 2 leakage path may decline to levels low enough so that solid water ice and CO 2 hydrate phases may be formed

The Influence of CO2 Solubility in Brine on Simulation of CO2 Injection into Water Flooded Reservoir and CO2 WAG

DEFF Research Database (Denmark)

Yan, Wei; Stenby, Erling Halfdan

2010-01-01

Injection of CO2 into depleted oil reservoirs is not only a traditional way to enhance oil recovery but also a relatively cheaper way to sequester CO2 underground since the increased oil production can offset some sequestration cost. CO2 injection process is often applied to water flooded...... simulations were made for seven oil samples within a wide range of temperature, pressure and salinity. The results were analyzed in terms of the change in oil recovery due to different phase equilibrium descriptions, the delay in breakthrough and the CO2 lost to the aqueous phase. The influence of different...

Optimization of a prognostic biosphere model for terrestrial biomass and atmospheric CO2 variability

International Nuclear Information System (INIS)

Saito, M.; Ito, A.; Maksyutov, S.

2014-01-01

This study investigates the capacity of a prognostic biosphere model to simulate global variability in atmospheric CO 2 concentrations and vegetation carbon dynamics under current environmental conditions. Global data sets of atmospheric CO 2 concentrations, above-ground biomass (AGB), and net primary productivity (NPP) in terrestrial vegetation were assimilated into the biosphere model using an inverse modeling method combined with an atmospheric transport model. In this process, the optimal physiological parameters of the biosphere model were estimated by minimizing the misfit between observed and modeled values, and parameters were generated to characterize various biome types. Results obtained using the model with the optimized parameters correspond to the observed seasonal variations in CO 2 concentration and their annual amplitudes in both the Northern and Southern Hemispheres. In simulating the mean annual AGB and NPP, the model shows improvements in estimating the mean magnitudes and probability distributions for each biome, as compared with results obtained using prior simulation parameters. However, the model is less efficient in its simulation of AGB for forest type biomes. This misfit suggests that more accurate values of input parameters, specifically, grid mean AGB values and seasonal variabilities in physiological parameters, are required to improve the performance of the simulation model. (authors)

Atmospheric inversion of the surface CO2 flux with 13CO2 constraint

Science.gov (United States)

Chen, J. M.; Mo, G.; Deng, F.

2013-10-01

Observations of 13CO2 at 73 sites compiled in the GLOBALVIEW database are used for an additional constraint in a global atmospheric inversion of the surface CO2 flux using CO2 observations at 210 sites for the 2002-2004 period for 39 land regions and 11 ocean regions. This constraint is implemented using the 13CO2/CO2 flux ratio modeled with a terrestrial ecosystem model and an ocean model. These models simulate 13CO2 discrimination rates of terrestrial photosynthesis and respiration and ocean-atmosphere diffusion processes. In both models, the 13CO2 disequilibrium between fluxes to and from the atmosphere is considered due to the historical change in atmospheric 13CO2 concentration. For the 2002-2004 period, the 13CO2 constraint on the inversion increases the total land carbon sink from 3.40 to 3.70 Pg C yr-1 and decreases the total oceanic carbon sink from 1.48 to 1.12 Pg C yr-1. The largest changes occur in tropical areas: a considerable decrease in the carbon source in the Amazon forest, and this decrease is mostly compensated by increases in the ocean region immediately west of the Amazon and the southeast Asian land region. Our further investigation through different treatments of the 13CO2/CO2 flux ratio used in the inversion suggests that variable spatial distributions of the 13CO2 isotopic discrimination rate simulated by the models over land and ocean have considerable impacts on the spatial distribution of the inverted CO2 flux over land and the inversion results are not sensitive to errors in the estimated disequilibria over land and ocean.

Simulation of Stomatal Conductance and Water Use Efficiency of Tomato Leaves Exposed to Different Irrigation Regimes and Air CO2 Concentrations by a Modified “Ball-Berry” Model

Directory of Open Access Journals (Sweden)

Zhenhua Wei

2018-04-01

Full Text Available Stomatal conductance (gs and water use efficiency (WUE of tomato leaves exposed to different irrigation regimes and at ambient CO2 (a[CO2], 400 ppm and elevated CO2 (e[CO2], 800 ppm environments were simulated using the “Ball-Berry” model (BB-model. Data obtained from a preliminary experiment (Exp. I was used for model parameterization, where measurements of leaf gas exchange of potted tomatoes were done during progressive soil drying for 5 days. The measured photosynthetic rate (Pn was used as an input for the model. Considering the effect of soil water deficits on gs, an equation modifying the slope (m based on the mean soil water potential (Ψs in the whole root zone was introduced. Compared to the original BB-model, the modified model showed greater predictability for both gs and WUE of tomato leaves at each [CO2] growth environment. The models were further validated with data obtained from an independent experiment (Exp. II where plants were subjected to three irrigation regimes: full irrigation (FI, deficit irrigation (DI, and alternative partial root-zone irrigation (PRI for 40 days at both a[CO2] and e[CO2] environment. The simulation results indicated that gs was independently acclimated to e[CO2] from Pn. The modified BB-model performed better in estimating gs and WUE, especially for PRI strategy at both [CO2] environments. A greater WUE could be seen in plants grown under e[CO2] associated with PRI regime. Conclusively, the modified BB-model was capable of predicting gs and WUE of tomato leaves in various irrigation regimes at both a[CO2] and e[CO2] environments. This study could provide valuable information for better predicting plant WUE adapted to the future water-limited and CO2 enriched environment.

Seasonal & Daily Amazon Column CO2 & CO Observations from Ground & Space Used to Evaluate Tropical Ecosystem Models

Science.gov (United States)

Dubey, M. K.; Parker, H. A.; Wennberg, P. O.; Wunch, D.; Jacobson, A. R.; Kawa, S. R.; Keppel-Aleks, G.; Basu, S.; O'Dell, C.; Frankenberg, C.; Michalak, A. M.; Baker, D. F.; Christofferson, B.; Restrepo-Coupe, N.; Saleska, S. R.; De Araujo, A. C.; Miller, J. B.

2016-12-01

The Amazon basin stores 150-200 PgC, exchanges 18 PgC with the atmosphere every year and has taken up 0.42-0.65 PgC/y over the past two decades. Despite its global significance, the response of the tropical carbon cycle to climate variability and change is ill constrained as evidenced by the large negative and positive feedbacks in future climate simulations. The complex interplay of radiation, water and ecosystem phenology remains unresolved in current tropical ecosystem models. We use high frequency regional scale TCCON observations of column CO2, CO and CH4 near Manaus, Brazil that began in October 2014 to understand the aforementioned interplay of processes in regulating biosphere-atmosphere exchange. We observe a robust daily column CO2 uptake of about 2 ppm (4 ppm to 0.5 ppm) over 8 hours and evaluate how it changes as we transition to the dry season. Back-trajectory calculations show that the daily CO2 uptake footprint is terrestrial and influenced by the heterogeneity of the Amazon rain forests. The column CO falls from above 120 ppb to below 80 ppb as we transition from the biomass burning to wet seasons. The daily mean column CO2 rises by 3 ppm from October through June. Removal of biomass burning, secular CO2 increase and variations from transport (by Carbon tracker simulations) implies an increase of 2.3 ppm results from tropical biospheric processes (respiration and photosynthesis). This is consistent with ground-based remote sensing and eddy flux observations that indicate that leaf development and demography drives the tropical carbon cycle in regions that are not water limited and is not considered in current models. We compare our observations with output from 7 CO2 inversion transport models with assimilated meteorology and find that while 5 models reproduce the CO2 seasonal cycle all of them under predict the daily drawdown of CO2 by a factor of 3. This indicates that the CO2 flux partitioning between photosynthesis and respiration is incorrect

Causes of variation among rice models in yield response to CO2 examined with Free-Air CO2 Enrichment and growth chamber experiments.

Science.gov (United States)

Hasegawa, Toshihiro; Li, Tao; Yin, Xinyou; Zhu, Yan; Boote, Kenneth; Baker, Jeffrey; Bregaglio, Simone; Buis, Samuel; Confalonieri, Roberto; Fugice, Job; Fumoto, Tamon; Gaydon, Donald; Kumar, Soora Naresh; Lafarge, Tanguy; Marcaida Iii, Manuel; Masutomi, Yuji; Nakagawa, Hiroshi; Oriol, Philippe; Ruget, Françoise; Singh, Upendra; Tang, Liang; Tao, Fulu; Wakatsuki, Hitomi; Wallach, Daniel; Wang, Yulong; Wilson, Lloyd Ted; Yang, Lianxin; Yang, Yubin; Yoshida, Hiroe; Zhang, Zhao; Zhu, Jianguo

2017-11-01

The CO 2 fertilization effect is a major source of uncertainty in crop models for future yield forecasts, but coordinated efforts to determine the mechanisms of this uncertainty have been lacking. Here, we studied causes of uncertainty among 16 crop models in predicting rice yield in response to elevated [CO 2 ] (E-[CO 2 ]) by comparison to free-air CO 2 enrichment (FACE) and chamber experiments. The model ensemble reproduced the experimental results well. However, yield prediction in response to E-[CO 2 ] varied significantly among the rice models. The variation was not random: models that overestimated at one experiment simulated greater yield enhancements at the others. The variation was not associated with model structure or magnitude of photosynthetic response to E-[CO 2 ] but was significantly associated with the predictions of leaf area. This suggests that modelled secondary effects of E-[CO 2 ] on morphological development, primarily leaf area, are the sources of model uncertainty. Rice morphological development is conservative to carbon acquisition. Uncertainty will be reduced by incorporating this conservative nature of the morphological response to E-[CO 2 ] into the models. Nitrogen levels, particularly under limited situations, make the prediction more uncertain. Improving models to account for [CO 2 ] × N interactions is necessary to better evaluate management practices under climate change.

The global warming game - simulations of a CO2 reduction agreement

International Nuclear Information System (INIS)

Fankhauser, S.; Kverndokk, S.

1992-06-01

The paper analyses incentives for and the benefits of a possible international cooperation to reduce CO-2-emissions. The negotiations are modeled as a (static) reciprocal-externality-game in CO 2 -emissions between five world regions. CO 2 -emissions affect the players in two ways: First, each country's income depends (via energy inputs) on the amount of CO 2 emitted. On the other hand, emissions may cause future damage due to climate change. Without cooperation, each player maximizes its net benefits in setting marginal income equal to its marginal damage cost (Nash equilibrium). Under full cooperation marginal income equals the sum of the marginal damages (social optimum). The paper presents simulations of these two equilibria. Compared to the situation where no attention is paid to the greenhouse effect (the business as usual scenario), emission reductions under the Nash equilibrium can be interpreted as incentives for unilateral actions. According to the simulation results, this can only be expected from OECD countries. The results also imply that a socially optimal treaty, while clearly beneficial for the world in its entirety, may only be achieved if side payments are offered to at least China and the former Soviet Union, and probably the USA. The optimal global emission reductions in this study are on average lower than the reductions recommended by international conferences. 34 refs., 2 figs., 9 tabs

Fast Cloud Adjustment to Increasing CO2 in a Superparameterized Climate Model

Directory of Open Access Journals (Sweden)

Marat Khairoutdinov

2012-05-01

Full Text Available Two-year simulation experiments with a superparameterized climate model, SP-CAM, are performed to understand the fast tropical (30S-30N cloud response to an instantaneous quadrupling of CO2 concentration with SST held fixed at present-day values.The greenhouse effect of the CO2 perturbation quickly warms the tropical land surfaces by an average of 0.5 K. This shifts rising motion, surface precipitation, and cloud cover at all levels from the ocean to the land, with only small net tropical-mean cloud changes. There is a widespread average reduction of about 80 m in the depth of the trade inversion capping the marine boundary layer (MBL over the cooler subtropical oceans.One apparent contributing factor is CO2-enhanced downwelling longwave radiation, which reduces boundary-layer radiative cooling, a primary driver of turbulent entrainment through the trade inversion. A second contributor is a slight CO2-induced heating of the free troposphere above the MBL, which strengthens the trade inversion and also inhibits entrainment. There is a corresponding downward displacement of MBL clouds with a very slight decrease in mean cloud cover and albedo.Two-dimensional cloud-resolving model (CRM simulations of this MBL response are run to steady state using composite SP-CAM simulated thermodynamic and wind profiles from a representative cool subtropical ocean regime, for the control and 4xCO2 cases. Simulations with a CRM grid resolution equal to that of SP-CAM are compared with much finer resolution simulations. The coarse-resolution simulations maintain a cloud fraction and albedo comparable to SP-CAM, but the fine-resolution simulations have a much smaller cloud fraction. Nevertheless, both CRM configurations simulate a reduction in inversion height comparable to SP-CAM. The changes in low cloud cover and albedo in the CRM simulations are small, but both simulations predict a slight reduction in low cloud albedo as in SP-CAM.

Simulation of a Potential CO2 Storage in the West Paris Basin: Site Characterization and Assessment of the Long-Term Hydrodynamical and Geochemical Impacts Induced by the CO2 Injection

Directory of Open Access Journals (Sweden)

Estublier Audrey

2017-07-01

Full Text Available This article presents the preliminary results of a study carried out as part of a demonstration project of CO2 storage in the Paris Basin. This project funded by ADEME (French Environment and Energy Management Agency and several industrial partners (TOTAL, ENGIE, EDF, Lafarge, Air Liquide, Vallourec aimed to study the possibility to set up an experimental infrastructure of CO2 transport and storage. Regarding the storage, the objectives were: (1 to characterize the selected site by optimizing the number of wells in a CO2 injection case of 200 Mt over 50 years in the Trias, (2 to simulate over time the CO2 migration and the induced pressure field, and (3 to analyze the geochemical behavior of the rock over the long term (1,000 years. The preliminary site characterization study revealed that only the southern area of Keuper succeeds to satisfy this injection criterion using only four injectors. However, a complementary study based on a refined fluid flow model with additional secondary faults concluded that this zone presents the highest potential of CO2 injection but without reaching the objective of 200 Mt with a reasonable number of wells. The simulation of the base scenario, carried out before the model refinement, showed that the overpressure above 0.1 MPa covers an area of 51,869 km2 in the Chaunoy formation, 1,000 years after the end of the injection, which corresponds to the whole West Paris Basin, whereas the CO2 plume extension remains small (524 km2. This overpressure causes brine flows at the domain boundaries and a local overpressure in the studied oil fields. Regarding the preliminary risk analysis of this project, the geochemical effects induced by the CO2 injection were studied by simulating the fluid-rock interactions with a coupled geochemical and fluid flow model in a domain limited to the storage complex. A one-way coupling of two models based on two domains fitting into each other was developed using dynamic boundary

Experimental and simulation studies on mineral trapping of CO2 with brine

International Nuclear Information System (INIS)

Soong, Y.; Goodman, A.L.; McCarthy-Jones, J.R.; Baltrus, J.P.

2004-01-01

The reaction of carbon dioxide (CO 2 ) with brine samples collected from the Oriskany Formation in Indiana County, PA, was investigated in an autoclave reactor under various conditions. A geochemical code, PHREEQC, was used as to simulate the reaction in the autoclave reactor. The combined experimental and modeling data suggests that pH (pH > 9) plays a key role in the formation of carbonate minerals. The effects of temperature and CO 2 pressure have a lesser impact on the formation of carbonate minerals

Quantification of a maximum injection volume of CO2 to avert geomechanical perturbations using a compositional fluid flow reservoir simulator

Science.gov (United States)

Jung, Hojung; Singh, Gurpreet; Espinoza, D. Nicolas; Wheeler, Mary F.

2018-02-01

Subsurface CO2 injection and storage alters formation pressure. Changes of pore pressure may result in fault reactivation and hydraulic fracturing if the pressure exceeds the corresponding thresholds. Most simulation models predict such thresholds utilizing relatively homogeneous reservoir rock models and do not account for CO2 dissolution in the brine phase to calculate pore pressure evolution. This study presents an estimation of reservoir capacity in terms of allowable injection volume and rate utilizing the Frio CO2 injection site in the coast of the Gulf of Mexico as a case study. The work includes laboratory core testing, well-logging data analyses, and reservoir numerical simulation. We built a fine-scale reservoir model of the Frio pilot test in our in-house reservoir simulator IPARS (Integrated Parallel Accurate Reservoir Simulator). We first performed history matching of the pressure transient data of the Frio pilot test, and then used this history-matched reservoir model to investigate the effect of the CO2 dissolution into brine and predict the implications of larger CO2 injection volumes. Our simulation results -including CO2 dissolution- exhibited 33% lower pressure build-up relative to the simulation excluding dissolution. Capillary heterogeneity helps spread the CO2 plume and facilitate early breakthrough. Formation expansivity helps alleviate pore pressure build-up. Simulation results suggest that the injection schedule adopted during the actual pilot test very likely did not affect the mechanical integrity of the storage complex. Fault reactivation requires injection volumes of at least about sixty times larger than the actual injected volume at the same injection rate. Hydraulic fracturing necessitates much larger injection rates than the ones used in the Frio pilot test. Tested rock samples exhibit ductile deformation at in-situ effective stresses. Hence, we do not expect an increase of fault permeability in the Frio sand even in the presence of

Modeling and Simulation on NOx and N2O Formation in Co-combustion of Low-rank Coal and Palm Kernel Shell

Directory of Open Access Journals (Sweden)

Mahidin Mahidin

2012-12-01

Full Text Available NOx and N2O emissions from coal combustion are claimed as the major contributors for the acid rain, photochemical smog, green house and ozone depletion problems. Based on the facts, study on those emissions formation is interest topic in the combustion area. In this paper, theoretical study by modeling and simulation on NOx and N2O formation in co-combustion of low-rank coal and palm kernel shell has been done. Combustion model was developed by using the principle of chemical-reaction equilibrium. Simulation on the model in order to evaluate the composition of the flue gas was performed by minimization the Gibbs free energy. The results showed that by introduced of biomass in coal combustion can reduce the NOx concentration in considerably level. Maximum NO level in co-combustion of low-rank coal and palm kernel shell with fuel composition 1:1 is 2,350 ppm, low enough compared to single low-rank coal combustion up to 3,150 ppm. Moreover, N2O is less than 0.25 ppm in all cases. Keywords: low-rank coal, N2O emission, NOx emission, palm kernel shell

Atomistic simulation of CO 2 solubility in poly(ethylene oxide) oligomers

KAUST Repository

Hong, Bingbing

2013-10-02

We have performed atomistic molecular dynamics simulations coupled with thermodynamic integration to obtain the excess chemical potential and pressure-composition phase diagrams for CO2 in poly(ethylene oxide) oligomers. Poly(ethylene oxide) dimethyl ether, CH3O(CH 2CH2O)nCH3 (PEO for short) is a widely applied physical solvent that forms the major organic constituent of a class of novel nanoparticle-based absorbents. Good predictions were obtained for pressure-composition-density relations for CO2 + PEO oligomers (2 ≤ n ≤ 12), using the Potoff force field for PEO [J. Chem. Phys. 136, 044514 (2012)] together with the TraPPE model for CO2 [AIChE J. 47, 1676 (2001)]. Water effects on Henrys constant of CO2 in PEO have also been investigated. Addition of modest amounts of water in PEO produces a relatively small increase in Henrys constant. Dependence of the calculated Henrys constant on the weight percentage of water falls on a temperature-dependent master curve, irrespective of PEO chain length. © 2013 Taylor & Francis.

A Fast Electro-Thermal Co-Simulation Modeling Approach for SiC Power MOSFETs

DEFF Research Database (Denmark)

Ceccarelli, Lorenzo; Bahman, Amir Sajjad; Iannuzzo, Francesco

2017-01-01

The purpose of this work is to propose a novel electro-thermal co-simulation approach for the new generation of SiC MOSFETs, by development of a PSpice-based compact and physical SiC MOSFET model including temperature dependency of several parameters and a Simulink-based thermal network. The PSpice...... the FEM simulation of the DUT’s structure, performed in ANSYS Icepack. A MATLAB script is used to process the simulation data and feed the needed settings and parameters back into the simulation. The parameters for a CREE 1.2 kV/30 A SiC MOSFET have been identified and the electro-thermal model has been...

Impact of Three-Phase Relative Permeability and Hysteresis Models on Forecasts of Storage Associated With CO2-EOR

Science.gov (United States)

Jia, Wei; McPherson, Brian; Pan, Feng; Dai, Zhenxue; Moodie, Nathan; Xiao, Ting

2018-02-01

Geological CO2 sequestration in conjunction with enhanced oil recovery (CO2-EOR) includes complex multiphase flow processes compared to CO2 storage in deep saline aquifers. Two of the most important factors affecting multiphase flow in CO2-EOR are three-phase relative permeability and associated hysteresis, both of which are difficult to measure and are usually represented by numerical interpolation models. The purpose of this study is to improve understanding of (1) the relative impacts of different three-phase relative permeability models and hysteresis models on CO2 trapping mechanisms, and (2) uncertainty associated with these two factors. Four different three-phase relative permeability models and three hysteresis models were applied to simulations of an active CO2-EOR site, the SACROC unit located in western Texas. To eliminate possible bias of deterministic parameters, we utilized a sequential Gaussian simulation technique to generate 50 realizations to describe heterogeneity of porosity and permeability, based on data obtained from well logs and seismic survey. Simulation results of forecasted CO2 storage suggested that (1) the choice of three-phase relative permeability model and hysteresis model led to noticeable impacts on forecasted CO2 sequestration capacity; (2) impacts of three-phase relative permeability models and hysteresis models on CO2 trapping are small during the CO2-EOR injection period, and increase during the post-EOR CO2 injection period; (3) the specific choice of hysteresis model is more important relative to the choice of three-phase relative permeability model; and (4) using the recommended three-phase WAG (Water-Alternating-Gas) hysteresis model may increase the impact of three-phase relative permeability models and uncertainty due to heterogeneity.

Modeling solubility of CO2/hydrocarbon gas in ionic liquid ([emim][FAP]) using Aspen Plus simulations.

Science.gov (United States)

Bagchi, Bishwadeep; Sati, Sushmita; Shilapuram, Vidyasagar

2017-08-01

The Peng-Robinson equation of state with quadratic van der Waals (vdW) mixing rule model was chosen to perform the thermodynamic calculations in Flash3 column of Aspen Plus to predict the solubility of CO 2 or any one of the hydrocarbons (HCs) among methane, ethane, propane, and butane in an ionic liquid 1-ethyl-3-methylimidazolium tris(pentafluoroethyl)trifluorophosphate ([emim][FAP]). Bubble point pressure, solubility, bubble point temperature, fugacity, and partial molar volume at infinite dilution were obtained from the simulations, and enthalpy of absorption, Gibbs free energy of solvation, and entropy change of absorption were estimated by thermodynamic relations. Results show that carbon chain length has a significant effect on the bubble point pressure. Methane has the highest bubble point pressure among all the considered HCs and CO 2 . The bubble point pressure and fugacity variation with temperature is different for CO 2 as compared to HCs for mole fractions above 0.2. Two different profiles are noticed for enthalpy of absorption when plotted as a function of mole fraction of gas soluble in IL. Partial molar volume of CO 2 decreases with increase in temperature in [emim][FAP], while it is increased for HCs. Bubble point temperature decreases with increase in the mole fraction of the solute. Entropy of solvation increases with temperature till a particular value followed by a decrease with further increase in temperature. Gibbs free energy change of solvation showed that the process of solubility was spontaneous.

CO2 capture in amine solutions: modelling and simulations with non-empirical methods

Science.gov (United States)

Andreoni, Wanda; Pietrucci, Fabio

2016-12-01

Absorption in aqueous amine solutions is the most advanced technology for the capture of CO2, although suffering from drawbacks that do not allow exploitation on large scale. The search for optimum solvents has been pursued with empirical methods and has also motivated a number of computational approaches over the last decade. However, a deeper level of understanding of the relevant chemical reactions in solution is required so as to contribute to this effort. We present here a brief critical overview of the most recent applications of computer simulations using ab initio methods. Comparison of their outcome shows a strong dependence on the structural models employed to represent the molecular systems in solution and on the strategy used to simulate the reactions. In particular, the results of very recent ab initio molecular dynamics augmented with metadynamics are summarized, showing the crucial role of water, which has been so far strongly underestimated both in the calculations and in the interpretation of experimental data. Indications are given for advances in computational approaches that are necessary if meant to contribute to the rational design of new solvents.

CO2 capture in amine solutions: modelling and simulations with non-empirical methods

International Nuclear Information System (INIS)

Andreoni, Wanda; Pietrucci, Fabio

2016-01-01

Absorption in aqueous amine solutions is the most advanced technology for the capture of CO 2 , although suffering from drawbacks that do not allow exploitation on large scale. The search for optimum solvents has been pursued with empirical methods and has also motivated a number of computational approaches over the last decade. However, a deeper level of understanding of the relevant chemical reactions in solution is required so as to contribute to this effort. We present here a brief critical overview of the most recent applications of computer simulations using ab initio methods. Comparison of their outcome shows a strong dependence on the structural models employed to represent the molecular systems in solution and on the strategy used to simulate the reactions. In particular, the results of very recent ab initio molecular dynamics augmented with metadynamics are summarized, showing the crucial role of water, which has been so far strongly underestimated both in the calculations and in the interpretation of experimental data. Indications are given for advances in computational approaches that are necessary if meant to contribute to the rational design of new solvents. (topical review)

Los Angeles megacity: a high-resolution land–atmosphere modelling system for urban CO2 emissions

Directory of Open Access Journals (Sweden)

S. Feng

2016-07-01

Full Text Available Megacities are major sources of anthropogenic fossil fuel CO2 (FFCO2 emissions. The spatial extents of these large urban systems cover areas of 10 000 km2 or more with complex topography and changing landscapes. We present a high-resolution land–atmosphere modelling system for urban CO2 emissions over the Los Angeles (LA megacity area. The Weather Research and Forecasting (WRF-Chem model was coupled to a very high-resolution FFCO2 emission product, Hestia-LA, to simulate atmospheric CO2 concentrations across the LA megacity at spatial resolutions as fine as  ∼  1 km. We evaluated multiple WRF configurations, selecting one that minimized errors in wind speed, wind direction, and boundary layer height as evaluated by its performance against meteorological data collected during the CalNex-LA campaign (May–June 2010. Our results show no significant difference between moderate-resolution (4 km and high-resolution (1.3 km simulations when evaluated against surface meteorological data, but the high-resolution configurations better resolved planetary boundary layer heights and vertical gradients in the horizontal mean winds. We coupled our WRF configuration with the Vulcan 2.2 (10 km resolution and Hestia-LA (1.3 km resolution fossil fuel CO2 emission products to evaluate the impact of the spatial resolution of the CO2 emission products and the meteorological transport model on the representation of spatiotemporal variability in simulated atmospheric CO2 concentrations. We find that high spatial resolution in the fossil fuel CO2 emissions is more important than in the atmospheric model to capture CO2 concentration variability across the LA megacity. Finally, we present a novel approach that employs simultaneous correlations of the simulated atmospheric CO2 fields to qualitatively evaluate the greenhouse gas measurement network over the LA megacity. Spatial correlations in the atmospheric CO2 fields reflect the coverage of

Sensitivity Analysis for CO2 Retrieval using GOSAT-2 FTS-2 Simulator

Science.gov (United States)

Kamei, Akihide; Yoshida, Yukio; Dupuy, Eric; Yokota, Yasuhiro; Hiraki, Kaduo; Matsunaga, Tsuneo

2015-04-01

The Greenhouse Gases Observing Satellite (GOSAT), launched in 2009, is the world's first satellite dedicated to global greenhouse gases observation. GOSAT-2, the successor mission to GOSAT, is scheduled for launch in early 2018. The Fourier Transform Spectrometer-2 (FTS-2) is the primary sensor onboard GOSAT-2. It observes infrared light reflected and emitted from the Earth's surface and atmosphere. The FTS-2 obtains high resolution spectra using three bands in the near to short-wavelength infrared (SWIR) region and two bands in the thermal infrared (TIR) region. Column amounts and vertical profiles of carbon dioxide (CO2) and methane (CH4) are retrieved from the radiance spectra obtained with the SWIR and TIR bands, respectively. Further, compared to the FTS onboard the GOSAT, the FTS-2 has several improvements: 1) added spectral coverage in the SWIR region for carbon monoxide (CO) retrieval, 2) increased signal-to-noise ratio (SNR) for all bands, 3) extended range of along-track pointing angles for sunglint observations, 4) intelligent pointing to avoid cloud contamination. Since 2012, we have been developing a simulator software to simulate the spectral radiance data that will be acquired by the GOSAT-2 FTS-2. The purpose of the GOSAT-2 FTS-2 simulator is to analyze/optimize data with respect to the sensor specification, the parameters for Level 1 processing, and the improvement of the Level 2 algorithms. The GOSAT-2 FTS-2 simulator includes the six components: 1) overall control, 2) sensor carrying platform, 3) spectral radiance calculation, 4) Fourier Transform module, 5) Level 1B (L1B) processing, and 6) L1B data output. It has been installed on the GOSAT Research Computation Facility (GOSAT RCF), which is a high-performance and energy-efficient supercomputer. More realistic and faster simulations have been made possible by the improvement of the details of sensor characteristics, the sophistication of the data processing and algorithms, the addition of the

A locational gaming model with CO2 emission tax and limits

International Nuclear Information System (INIS)

Yu, Z.; Preckel, P.V.; Nderitu, G.; Sparrow, F.T.

2001-01-01

This paper presents a locational (spatial) gaming model with CO 2 emission and transmission capacity limits. It is developed for simulating strategic behavior of electricity producers in deregulated electricity markets. The model has multiple players, each maximizing their individual profit with a CO 2 emission tax included to reflect the societal cost of environment damages caused by CO 2 emission from different locations. In the paper, the multiple-producer profits are converted into a set of Lagrangian functions with power production and supply as the primary control variables, resulting in a set of unconstrained, individual profit maximization equations. The Karush-Kuhn-Tucker necessary conditions are then derived and solved simultaneously incorporating Cournot gaming strategy. Case studies show the successful application of the model. (author)

Impact of optimized mixing heights on simulated regional atmospheric transport of CO2

International Nuclear Information System (INIS)

Kretschmer, R.; Gerbig, C.; Karstens, U.; Biavati, G.; Vermeulen, A.; Vogel, E.; Hammer, S.; Totsche, K.U.

2014-01-01

The mixing height (MH) is a crucial parameter in commonly used transport models that proportionally affects air concentrations of trace gases with sources/sinks near the ground and on diurnal scales. Past synthetic data experiments indicated the possibility to improve tracer transport by minimizing errors of simulated MHs. In this paper we evaluate a method to constrain the Lagrangian particle dispersion model STILT (Stochastic Time-Inverted Lagrangian Transport) with MH diagnosed from radiosonde profiles using a bulk Richardson method. The same method was used to obtain hourly MHs for the period September/October 2009 from the Weather Research and Forecasting (WRF) model, which covers the European continent at 10 km horizontal resolution. Kriging with external drift (KED) was applied to estimate optimized MHs from observed and modelled MHs, which were used as input for STILT to assess the impact on CO 2 transport. Special care has been taken to account for uncertainty in MH retrieval in this estimation process.MHs and CO 2 concentrations were compared to vertical profiles from aircraft in situ data.We put an emphasis on testing the consistency of estimated MHs to observed vertical mixing of CO 2 . Modelled CO 2 was also compared with continuous measurements made at Cabauw and Heidelberg stations. WRF MHs were significantly biased by 10-20% during day and 40-60% during night. Optimized MHs reduced this bias to 5% with additional slight improvements in random errors. The KED MHs were generally more consistent with observed CO 2 mixing. The use of optimized MHs had in general a favourable impact on CO 2 transport, with bias reductions of 5-45% (day) and 60-90% (night). This indicates that a large part of the found CO 2 model-data mismatch was indeed due to MH errors. Other causes for CO 2 mismatch are discussed. Applicability of our method is discussed in the context of CO 2 inversions at regional scales. (authors)

Model-dependence of the CO2 threshold for melting the hard Snowball Earth

Directory of Open Access Journals (Sweden)

W. R. Peltier

2011-01-01

Full Text Available One of the critical issues of the Snowball Earth hypothesis is the CO2 threshold for triggering the deglaciation. Using Community Atmospheric Model version 3.0 (CAM3, we study the problem for the CO2 threshold. Our simulations show large differences from previous results (e.g. Pierrehumbert, 2004, 2005; Le Hir et al., 2007. At 0.2 bars of CO2, the January maximum near-surface temperature is about 268 K, about 13 K higher than that in Pierrehumbert (2004, 2005, but lower than the value of 270 K for 0.1 bar of CO2 in Le Hir et al. (2007. It is found that the difference of simulation results is mainly due to model sensitivity of greenhouse effect and longwave cloud forcing to increasing CO2. At 0.2 bars of CO2, CAM3 yields 117 Wm−2 of clear-sky greenhouse effect and 32 Wm−2 of longwave cloud forcing, versus only about 77 Wm−2 and 10.5 Wm−2 in Pierrehumbert (2004, 2005, respectively. CAM3 has comparable clear-sky greenhouse effect to that in Le Hir et al. (2007, but lower longwave cloud forcing. CAM3 also produces much stronger Hadley cells than that in Pierrehumbert (2005. Effects of pressure broadening and collision-induced absorption are also studied using a radiative-convective model and CAM3. Both effects substantially increase surface temperature and thus lower the CO2 threshold. The radiative-convective model yields a CO2 threshold of about 0.21 bars with surface albedo of 0.663. Without considering the effects of pressure broadening and collision-induced absorption, CAM3 yields an approximate CO2 threshold of about 1.0 bar for surface albedo of about 0.6. However, the threshold is lowered to 0.38 bars as both effects are considered.

Importance of crop varieties and management practices: evaluation of a process-based model for simulating CO2 and H2O fluxes at five European maize (Zea mays L.) sites

Science.gov (United States)

Li, L.; Vuichard, N.; Viovy, N.; Ciais, P.; Wang, T.; Ceschia, E.; Jans, W.; Wattenbach, M.; Béziat, P.; Gruenwald, T.; Lehuger, S.; Bernhofer, C.

2011-06-01

This paper is a modelling study of crop management impacts on carbon and water fluxes at a range of European sites. The model is a crop growth model (STICS) coupled with a process-based land surface model (ORCHIDEE). The data are online eddy-covariance observations of CO2 and H2O fluxes at five European maize cultivation sites. The results show that the ORCHIDEE-STICS model explains up to 75 % of the observed daily net CO2 ecosystem exchange (NEE) variance, and up to 79 % of the latent heat flux (LE) variance at five sites. The model is better able to reproduce gross primary production (GPP) variations than terrestrial ecosystem respiration (TER) variations. We conclude that structural deficiencies in the model parameterizations of leaf area index (LAI) and TER are the main sources of error in simulating CO2 and H2O fluxes. A number of sensitivity tests, with variable crop variety, nitrogen fertilization, irrigation, and planting date, indicate that any of these management factors is able to change NEE by more than 15 %, but that the response of NEE to management parameters is highly site-dependent. Changes in management parameters are found to impact not only the daily values of NEE and LE, but also the cumulative yearly values. In addition, LE is shown to be less sensitive to management parameters than NEE. Multi-site model evaluations, coupled with sensitivity analysis to management parameters, thus provide important information about model errors, which helps to improve the simulation of CO2 and H2O fluxes across European croplands.

Model analyses for sustainable energy supply under CO2 restrictions

International Nuclear Information System (INIS)

Matsuhashi, Ryuji; Ishitani, Hisashi.

1995-01-01

This paper aims at clarifying key points for realizing sustainable energy supply under restrictions on CO 2 emissions. For this purpose, possibility of solar breeding system is investigated as a key technology for the sustainable energy supply. The authors describe their mathematical model simulating global energy supply and demand in ultra-long term. Depletion of non-renewable resources and constraints on CO 2 emissions are taken into consideration in the model. Computed results have shown that present energy system based on non-renewable resources shifts to a system based on renewable resources in the ultra-long term with appropriate incentives

APO observations in Southern Greenland: evaluation of modelled air-sea O2 and CO2 fluxes

Science.gov (United States)

Bonne, Jean-Louis; Bopp, Laurent; Delmotte, Marc; Cadule, Patricia; Resplandy, Laure; Nevison, Cynthia; Manizza, Manfredi; Valentin Lavric, Jost; Manning, Andrew C.; Masson-Delmotte, Valérie

2014-05-01

Since September 2007, the atmospheric CO2 mole fraction and O2/N2 ratio (a proxy for O2 concentration) have been monitored continuously at the coastal site of Ivittuut, southern Greenland (61.21° N, 48.17° W). From 2007 to 2013, our measurements show multi-annual trends of +2.0 ppm/year and -20 per meg/year respectively for CO2 and O2/N2, with annual average peak-to-peak seasonal amplitudes of 14+/-1 ppm and 130+/-15 per meg. We investigate the implications of our data set in terms of APO (Atmospheric Potential Oxygen). This tracer, obtained by a linear combination of CO2 and O2/N2 data, is invariant to CO2 and O2 exchanges in the land biota, but sensitive to the oceanic component of the O2 cycle. It is used as a bridge to evaluate air-sea CO2 and O2 fluxes from atmospheric variations of CO2 and O2/N2. Global ocean biogeochemical models produce estimates of CO2 and O2 air-sea fluxes. Atmospheric APO variations can be simulated through transportation of these fluxes in the atmosphere by Eulerian transport models. Thus, model values of atmospheric APO can be extracted at the station location. This study is based on air-sea flux outputs from CMIP5 simulations. After atmospheric transportation, they give access to atmospheric APO climatologies which can be compared, in terms of seasonal cycles and inter-annual variability, to the in situ observations. A preliminary study is based on the CCSM ocean model air-sea fluxes transported in the atmosphere with the MATCH transport model, over the period 1979-2004. The amplitude of the APO seasonal cycle is correctly captured, but year to year variations on this seasonal cycle appears to be underestimated compared to observations. The LMDZ atmospheric transport model is also used to transport the ocean fluxes from five CMIP5 models, over the period 1979-2005, showing different amplitudes and timings of APO seasonal cycles. This methodology is a first step to evaluate the origin of observed APO variations at our site and then

A Hydromechanic-Electrokinetic Model for CO2 Sequestration in Geological Formations

NARCIS (Netherlands)

Al-Khoury, R.I.N.; Talebian, M.; Sluys, L.J.

2013-01-01

In this contribution, a finite element model for simulating coupled hydromechanic and electrokinetic flow in a multiphase domain is outlined. The model describes CO2 flow in a deformed, unsaturated geological formation and its associated streaming potential flow. The governing field equations are

Zero-point energy conservation in classical trajectory simulations: Application to H2CO

Science.gov (United States)

Lee, Kin Long Kelvin; Quinn, Mitchell S.; Kolmann, Stephen J.; Kable, Scott H.; Jordan, Meredith J. T.

2018-05-01

A new approach for preventing zero-point energy (ZPE) violation in quasi-classical trajectory (QCT) simulations is presented and applied to H2CO "roaming" reactions. Zero-point energy may be problematic in roaming reactions because they occur at or near bond dissociation thresholds and these channels may be incorrectly open or closed depending on if, or how, ZPE has been treated. Here we run QCT simulations on a "ZPE-corrected" potential energy surface defined as the sum of the molecular potential energy surface (PES) and the global harmonic ZPE surface. Five different harmonic ZPE estimates are examined with four, on average, giving values within 4 kJ/mol—chemical accuracy—for H2CO. The local harmonic ZPE, at arbitrary molecular configurations, is subsequently defined in terms of "projected" Cartesian coordinates and a global ZPE "surface" is constructed using Shepard interpolation. This, combined with a second-order modified Shepard interpolated PES, V, allows us to construct a proof-of-concept ZPE-corrected PES for H2CO, Veff, at no additional computational cost to the PES itself. Both V and Veff are used to model product state distributions from the H + HCO → H2 + CO abstraction reaction, which are shown to reproduce the literature roaming product state distributions. Our ZPE-corrected PES allows all trajectories to be analysed, whereas, in previous simulations, a significant proportion was discarded because of ZPE violation. We find ZPE has little effect on product rotational distributions, validating previous QCT simulations. Running trajectories on V, however, shifts the product kinetic energy release to higher energy than on Veff and classical simulations of kinetic energy release should therefore be viewed with caution.

Numerical simulation of CO2 disposal by mineral trapping in deep aquifers

International Nuclear Information System (INIS)

Xu Tianfu; Apps, John A.; Pruess, Karsten

2004-01-01

Carbon dioxide disposal into deep aquifers is a potential means whereby atmospheric emissions of greenhouse gases may be reduced. However, our knowledge of the geohydrology, geochemistry, geophysics, and geomechanics of CO 2 disposal must be refined if this technology is to be implemented safely, efficiently, and predictably. As a prelude to a fully coupled treatment of physical and chemical effects of CO 2 injection, the authors have analyzed the impact of CO 2 immobilization through carbonate mineral precipitation. Batch reaction modeling of the geochemical evolution of 3 different aquifer mineral compositions in the presence of CO 2 at high pressure were performed. The modeling considered the following important factors affecting CO 2 sequestration: (1) the kinetics of chemical interactions between the host rock minerals and the aqueous phase, (2) CO 2 solubility dependence on pressure, temperature and salinity of the system, and (3) redox processes that could be important in deep subsurface environments. The geochemical evolution under CO 2 injection conditions was evaluated. In addition, changes in porosity were monitored during the simulations. Results indicate that CO 2 sequestration by matrix minerals varies considerably with rock type. Under favorable conditions the amount of CO 2 that may be sequestered by precipitation of secondary carbonates is comparable with and can be larger than the effect of CO 2 dissolution in pore waters. The precipitation of ankerite and siderite is sensitive to the rate of reduction of Fe(III) mineral precursors such as goethite or glauconite. The accumulation of carbonates in the rock matrix leads to a considerable decrease in porosity. This in turn adversely affects permeability and fluid flow in the aquifer. The numerical experiments described here provide useful insight into sequestration mechanisms, and their controlling geochemical conditions and parameters

Assessing the Importance of Prior Biospheric Fluxes on Inverse Model Estimates of CO2

Science.gov (United States)

Philip, S.; Johnson, M. S.; Potter, C. S.; Genovese, V. B.

2017-12-01

Atmospheric mixing ratios of carbon dioxide (CO2) are largely controlled by anthropogenic emissions and biospheric sources/sinks. The processes controlling terrestrial biosphere-atmosphere carbon exchange are currently not fully understood, resulting in models having significant differences in the quantification of biospheric CO2 fluxes. Currently, atmospheric chemical transport models (CTM) and global climate models (GCM) use multiple different biospheric CO2 flux models resulting in large differences in simulating the global carbon cycle. The Orbiting Carbon Observatory 2 (OCO-2) satellite mission was designed to allow for the improved understanding of the processes involved in the exchange of carbon between terrestrial ecosystems and the atmosphere, and therefore allowing for more accurate assessment of the seasonal/inter-annual variability of CO2. OCO-2 provides much-needed CO2 observations in data-limited regions allowing for the evaluation of model simulations of greenhouse gases (GHG) and facilitating global/regional estimates of "top-down" CO2 fluxes. We conduct a 4-D Variation (4D-Var) data assimilation with the GEOS-Chem (Goddard Earth Observation System-Chemistry) CTM using 1) OCO-2 land nadir and land glint retrievals and 2) global in situ surface flask observations to constrain biospheric CO2 fluxes. We apply different state-of-the-science year-specific CO2 flux models (e.g., NASA-CASA (NASA-Carnegie Ames Stanford Approach), CASA-GFED (Global Fire Emissions Database), Simple Biosphere Model version 4 (SiB-4), and LPJ (Lund-Postdam-Jena)) to assess the impact of "a priori" flux predictions to "a posteriori" estimates. We will present the "top-down" CO2 flux estimates for the year 2015 using OCO-2 and in situ observations, and a complete indirect evaluation of the a priori and a posteriori flux estimates using independent in situ observations. We will also present our assessment of the variability of "top-down" CO2 flux estimates when using different

A multi-model approach to monitor emissions of CO2 and CO from an urban–industrial complex

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I. Super

2017-11-01

Full Text Available Monitoring urban–industrial emissions is often challenging because observations are scarce and regional atmospheric transport models are too coarse to represent the high spatiotemporal variability in the resulting concentrations. In this paper we apply a new combination of an Eulerian model (Weather Research and Forecast, WRF, with chemistry and a Gaussian plume model (Operational Priority Substances – OPS. The modelled mixing ratios are compared to observed CO2 and CO mole fractions at four sites along a transect from an urban–industrial complex (Rotterdam, the Netherlands towards rural conditions for October–December 2014. Urban plumes are well-mixed at our semi-urban location, making this location suited for an integrated emission estimate over the whole study area. The signals at our urban measurement site (with average enhancements of 11 ppm CO2 and 40 ppb CO over the baseline are highly variable due to the presence of distinct source areas dominated by road traffic/residential heating emissions or industrial activities. This causes different emission signatures that are translated into a large variability in observed ΔCO : ΔCO2 ratios, which can be used to identify dominant source types. We find that WRF-Chem is able to represent synoptic variability in CO2 and CO (e.g. the median CO2 mixing ratio is 9.7 ppm, observed, against 8.8 ppm, modelled, but it fails to reproduce the hourly variability of daytime urban plumes at the urban site (R2 up to 0.05. For the urban site, adding a plume model to the model framework is beneficial to adequately represent plume transport especially from stack emissions. The explained variance in hourly, daytime CO2 enhancements from point source emissions increases from 30 % with WRF-Chem to 52 % with WRF-Chem in combination with the most detailed OPS simulation. The simulated variability in ΔCO :  ΔCO2 ratios decreases drastically from 1.5 to 0.6 ppb ppm−1, which agrees

A multi-model approach to monitor emissions of CO2 and CO from an urban-industrial complex

Science.gov (United States)

Super, Ingrid; Denier van der Gon, Hugo A. C.; van der Molen, Michiel K.; Sterk, Hendrika A. M.; Hensen, Arjan; Peters, Wouter

2017-11-01

Monitoring urban-industrial emissions is often challenging because observations are scarce and regional atmospheric transport models are too coarse to represent the high spatiotemporal variability in the resulting concentrations. In this paper we apply a new combination of an Eulerian model (Weather Research and Forecast, WRF, with chemistry) and a Gaussian plume model (Operational Priority Substances - OPS). The modelled mixing ratios are compared to observed CO2 and CO mole fractions at four sites along a transect from an urban-industrial complex (Rotterdam, the Netherlands) towards rural conditions for October-December 2014. Urban plumes are well-mixed at our semi-urban location, making this location suited for an integrated emission estimate over the whole study area. The signals at our urban measurement site (with average enhancements of 11 ppm CO2 and 40 ppb CO over the baseline) are highly variable due to the presence of distinct source areas dominated by road traffic/residential heating emissions or industrial activities. This causes different emission signatures that are translated into a large variability in observed ΔCO : ΔCO2 ratios, which can be used to identify dominant source types. We find that WRF-Chem is able to represent synoptic variability in CO2 and CO (e.g. the median CO2 mixing ratio is 9.7 ppm, observed, against 8.8 ppm, modelled), but it fails to reproduce the hourly variability of daytime urban plumes at the urban site (R2 up to 0.05). For the urban site, adding a plume model to the model framework is beneficial to adequately represent plume transport especially from stack emissions. The explained variance in hourly, daytime CO2 enhancements from point source emissions increases from 30 % with WRF-Chem to 52 % with WRF-Chem in combination with the most detailed OPS simulation. The simulated variability in ΔCO :  ΔCO2 ratios decreases drastically from 1.5 to 0.6 ppb ppm-1, which agrees better with the observed standard

Estimating reservoir permeability from gravity current modeling of CO2 flow at Sleipner storage project, North Sea

Science.gov (United States)

Cowton, L. R.; Neufeld, J. A.; Bickle, M.; White, N.; White, J.; Chadwick, A.

2017-12-01

Vertically-integrated gravity current models enable computationally efficient simulations of CO2 flow in sub-surface reservoirs. These simulations can be used to investigate the properties of reservoirs by minimizing differences between observed and modeled CO2 distributions. At the Sleipner project, about 1 Mt yr-1 of supercritical CO2 is injected at a depth of 1 km into a pristine saline aquifer with a thick shale caprock. Analysis of time-lapse seismic reflection surveys shows that CO2 is distributed within 9 discrete layers. The trapping mechanism comprises a stacked series of 1 m thick, impermeable shale horizons that are spaced at 30 m intervals through the reservoir. Within the stratigraphically highest reservoir layer, Layer 9, a submarine channel deposit has been mapped on the pre-injection seismic survey. Detailed measurements of the three-dimensional CO2 distribution within Layer 9 have been made using seven time-lapse surveys, providing a useful benchmark against which numerical flow simulations can be tested. Previous simulations have, in general, been largely unsuccessful in matching the migration rate of CO2 in this layer. Here, CO2 flow within Layer 9 is modeled as a vertically-integrated gravity current that spreads beneath a structurally complex caprock using a two-dimensional grid, considerably increasing computational efficiency compared to conventional three-dimensional simulators. This flow model is inverted to find the optimal reservoir permeability in Layer 9 by minimizing the difference between observed and predicted distributions of CO2 as a function of space and time. A three parameter inverse model, comprising reservoir permeability, channel permeability and channel width, is investigated by grid search. The best-fitting reservoir permeability is 3 Darcys, which is consistent with measurements made on core material from the reservoir. Best-fitting channel permeability is 26 Darcys. Finally, the ability of this simplified numerical model

A Review of CO2-Enhanced Oil Recovery with a Simulated Sensitivity Analysis

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Mandadige Samintha Anne Perera

2016-06-01

Full Text Available This paper reports on a comprehensive study of the CO2-EOR (Enhanced oil recovery process, a detailed literature review and a numerical modelling study. According to past studies, CO2 injection can recover additional oil from reservoirs by reservoir pressure increment, oil swelling, the reduction of oil viscosity and density and the vaporization of oil hydrocarbons. Therefore, CO2-EOR can be used to enhance the two major oil recovery mechanisms in the field: miscible and immiscible oil recovery, which can be further increased by increasing the amount of CO2 injected, applying innovative flood design and well placement, improving the mobility ratio, extending miscibility, and controlling reservoir depth and temperature. A 3-D numerical model was developed using the CO2-Prophet simulator to examine the effective factors in the CO2-EOR process. According to that, in pure CO2 injection, oil production generally exhibits increasing trends with increasing CO2 injection rate and volume (in HCPV (Hydrocarbon pore volume and reservoir temperature. In the WAG (Water alternating gas process, oil production generally increases with increasing CO2 and water injection rates, the total amount of flood injected in HCPV and the distance between the injection wells, and reduces with WAG flood ratio and initial reservoir pressure. Compared to other factors, the water injection rate creates the minimum influence on oil production, and the CO2 injection rate, flood volume and distance between the flood wells have almost equally important influence on oil production.

Impact of optimized mixing heights on simulated regional atmospheric transport of CO2

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R. Kretschmer

2014-07-01

Full Text Available The mixing height (MH is a crucial parameter in commonly used transport models that proportionally affects air concentrations of trace gases with sources/sinks near the ground and on diurnal scales. Past synthetic data experiments indicated the possibility to improve tracer transport by minimizing errors of simulated MHs. In this paper we evaluate a method to constrain the Lagrangian particle dispersion model STILT (Stochastic Time-Inverted Lagrangian Transport with MH diagnosed from radiosonde profiles using a bulk Richardson method. The same method was used to obtain hourly MHs for the period September/October 2009 from the Weather Research and Forecasting (WRF model, which covers the European continent at 10 km horizontal resolution. Kriging with external drift (KED was applied to estimate optimized MHs from observed and modelled MHs, which were used as input for STILT to assess the impact on CO2 transport. Special care has been taken to account for uncertainty in MH retrieval in this estimation process. MHs and CO2 concentrations were compared to vertical profiles from aircraft in situ data. We put an emphasis on testing the consistency of estimated MHs to observed vertical mixing of CO2. Modelled CO2 was also compared with continuous measurements made at Cabauw and Heidelberg stations. WRF MHs were significantly biased by ~10–20% during day and ~40–60% during night. Optimized MHs reduced this bias to ~5% with additional slight improvements in random errors. The KED MHs were generally more consistent with observed CO2 mixing. The use of optimized MHs had in general a favourable impact on CO2 transport, with bias reductions of 5–45% (day and 60–90% (night. This indicates that a large part of the found CO2 model–data mismatch was indeed due to MH errors. Other causes for CO2 mismatch are discussed. Applicability of our method is discussed in the context of CO2 inversions at regional scales.

The global warming game - simulations of a CO[sub 2] reduction agreement

Energy Technology Data Exchange (ETDEWEB)

Fankhauser, S [Centre for Social and Economic Research on the Global Environment, London (United Kingdom); Kverndokk, S [Stiftelsen for Samfunns- og Naeringslivsforskning, Oslo (Norway)

1992-06-01

The paper analyses incentives for and the benefits of a possible international cooperation to reduce CO-2-emissions. The negotiations are modeled as a (static) reciprocal-externality-game in CO[sub 2]-emissions between five world regions. CO[sub 2]-emissions affect the players in two ways: First, each country's income depends (via energy inputs) on the amount of CO[sub 2] emitted. On the other hand, emissions may cause future damage due to climate change. Without cooperation, each player maximizes its net benefits in setting marginal income equal to its marginal damage cost (Nash equilibrium). Under full cooperation marginal income equals the sum of the marginal damages (social optimum). The paper presents simulations of these two equilibria. Compared to the situation where no attention is paid to the greenhouse effect (the business as usual scenario), emission reductions under the Nash equilibrium can be interpreted as incentives for unilateral actions. According to the simulation results, this can only be expected from OECD countries. The results also imply that a socially optimal treaty, while clearly beneficial for the world in its entirety, may only be achieved if side payments are offered to at least China and the former Soviet Union, and probably the USA. The optimal global emission reductions in this study are on average lower than the reductions recommended by international conferences. 34 refs., 2 figs., 9 tabs.

Intra-aggregate CO2 enrichment: a modelling approach for aerobic soils

Science.gov (United States)

Schlotter, D.; Schack-Kirchner, H.

2013-02-01

CO2 concentration gradients inside soil aggregates, caused by the respiration of soil microorganisms and fungal hyphae, might lead to variations in the soil solution chemistry on a mm-scale, and to an underestimation of the CO2 storage. But, up to now, there seems to be no feasible method for measuring CO2 inside natural aggregates with sufficient spatial resolution. We combined a one-dimensional model for gas diffusion in the inter-aggregate pore space with a cylinder diffusion model, simulating the consumption/production and diffusion of O2 and CO2 inside soil aggregates with air- and water-filled pores. Our model predicts that for aerobic respiration (respiratory quotient = 1) the intra-aggregate increase in the CO2 partial pressure can never be higher than 0.9 kPa for siliceous, and 0.1 kPa for calcaric aggregates, independent of the level of water-saturation. This suggests that only for siliceous aggregates CO2 produced by aerobic respiration might cause a high small-scale spatial variability in the soil solution chemistry. In calcaric aggregates, however, the contribution of carbonate species to the CO2 transport should lead to secondary carbonates on the aggregate surfaces. As regards the total CO2 storage in aerobic soils, both siliceous and calcaric, the effect of intra-aggregate CO2 gradients seems to be negligible. To assess the effect of anaerobic respiration on the intra-aggregate CO2 gradients, the development of a device for measuring CO2 on a mm-scale in soils is indispensable.

Importance of crop varieties and management practices: evaluation of a process-based model for simulating CO2 and H2O fluxes at five European maize (Zea mays L. sites

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T. Gruenwald

2011-06-01

Full Text Available This paper is a modelling study of crop management impacts on carbon and water fluxes at a range of European sites. The model is a crop growth model (STICS coupled with a process-based land surface model (ORCHIDEE. The data are online eddy-covariance observations of CO2 and H2O fluxes at five European maize cultivation sites. The results show that the ORCHIDEE-STICS model explains up to 75 % of the observed daily net CO2 ecosystem exchange (NEE variance, and up to 79 % of the latent heat flux (LE variance at five sites. The model is better able to reproduce gross primary production (GPP variations than terrestrial ecosystem respiration (TER variations. We conclude that structural deficiencies in the model parameterizations of leaf area index (LAI and TER are the main sources of error in simulating CO2 and H2O fluxes. A number of sensitivity tests, with variable crop variety, nitrogen fertilization, irrigation, and planting date, indicate that any of these management factors is able to change NEE by more than 15 %, but that the response of NEE to management parameters is highly site-dependent. Changes in management parameters are found to impact not only the daily values of NEE and LE, but also the cumulative yearly values. In addition, LE is shown to be less sensitive to management parameters than NEE. Multi-site model evaluations, coupled with sensitivity analysis to management parameters, thus provide important information about model errors, which helps to improve the simulation of CO2 and H2O fluxes across European croplands.

Physics and seismic modeling for monitoring CO{sub 2} storage

Energy Technology Data Exchange (ETDEWEB)

Jose M. Carcione; Stefano Picotti; Davide Gei; Giuliana Rossi [Istituto Nazionale di Oceanografia e di Geofisica Sperimentale (OGS), Trieste (Italy)

2006-01-15

The authors present a new petro-elastical and numerical-simulation methodology to compute synthetic seismograms for reservoirs subject to CO{sub 2} sequestration. The petro-elastical equations model the seismic properties of reservoir rocks saturated with CO{sub 2}, methane, oil and brine. The gas properties are obtained from the van der Waals equation taking into account the absorption of gas by oil and brine, as a function of the in situ pore pressure and temperature. The dry-rock bulk and shear moduli can be obtained either by calibration from real data or by using rock-physics models based on the Hertz-Mindlin and Hashin-Shtrikman theories. Mesoscopic attenuation due to fluids effects is quantified by using White's model of patchy saturation, and the wet-rock velocities are calculated with Gassmann equations by using an effective fluid modulus to describe the velocities predicted by White's model. The simulations are performed with a poro-viscoelastic modeling code based on Biot's theory, where viscoelasticity is described by generalizing the solid/fluid coupling modulus to a relaxation function. Using the pseudo-spectral method, which allows general material variability, a complete and accurate characterization of the reservoir can be obtained. A simulation, that considers the Utsira sand of the North Sea, illustrates the methodology.

Assessment of model estimates of land-atmosphere CO2 exchange across northern Eurasia

Science.gov (United States)

Rawlins, M.A.; McGuire, A.D.; Kimball, J.S.; Dass, P.; Lawrence, D.; Burke, E.; Chen, X.; Delire, C.; Koven, C.; MacDougall, A.; Peng, S.; Rinke, A.; Saito, K.; Zhang, W.; Alkama, R.; Bohn, T. J.; Ciais, P.; Decharme, B.; Gouttevin, I.; Hajima, T.; Ji, D.; Krinner, G.; Lettenmaier, D.P.; Miller, P.; Moore, J.C.; Smith, B.; Sueyoshi, T.

2015-01-01

A warming climate is altering land-atmosphere exchanges of carbon, with a potential for increased vegetation productivity as well as the mobilization of permafrost soil carbon stores. Here we investigate land-atmosphere carbon dioxide (CO2) cycling through analysis of net ecosystem productivity (NEP) and its component fluxes of gross primary productivity (GPP) and ecosystem respiration (ER) and soil carbon residence time, simulated by a set of land surface models (LSMs) over a region spanning the drainage basin of Northern Eurasia. The retrospective simulations cover the period 1960–2009 at 0.5° resolution, which is a scale common among many global carbon and climate model simulations. Model performance benchmarks were drawn from comparisons against both observed CO2 fluxes derived from site-based eddy covariance measurements as well as regional-scale GPP estimates based on satellite remote-sensing data. The site-based comparisons depict a tendency for overestimates in GPP and ER for several of the models, particularly at the two sites to the south. For several models the spatial pattern in GPP explains less than half the variance in the MODIS MOD17 GPP product. Across the models NEP increases by as little as 0.01 to as much as 0.79 g C m−2 yr−2, equivalent to 3 to 340 % of the respective model means, over the analysis period. For the multimodel average the increase is 135 % of the mean from the first to last 10 years of record (1960–1969 vs. 2000–2009), with a weakening CO2 sink over the latter decades. Vegetation net primary productivity increased by 8 to 30 % from the first to last 10 years, contributing to soil carbon storage gains. The range in regional mean NEP among the group is twice the multimodel mean, indicative of the uncertainty in CO2 sink strength. The models simulate that inputs to the soil carbon pool exceeded losses, resulting in a net soil carbon gain amid a decrease in residence time. Our analysis points to improvements in model

Enhancement of farmland greenhouse gas emissions from leakage of stored CO2: simulation of leaked CO2 from CCS.

Science.gov (United States)

Zhang, Xueyan; Ma, Xin; Wu, Yang; Li, Yue

2015-06-15

The effects of leaked CO2 on plant and soil constitute a key objective of carbon capture and storage (CCS) safety. The effects of leaked CO2 on trace soil gas (e.g., methane (CH4) and nitrous oxide (N2O) emissions in farmlands are not well-understood. This study simulated the effects of elevated soil CO2 on CH4 and N2O through pot experiments. The results revealed that significant increases of CH4 and N2O emissions were induced by the simulated CO2 leakages; the emission rates of CH4 and N2O were substantial, reaching about 222 and 48 times than that of the control, respectively. The absolute global warming potentials (GWPs) of the additional CH4 and N2O are considerable, but the cumulative GWPs of the additional CH4 and N2O only accounted for 0.03% and 0.06%, respectively, of the cumulative amount of leaked CO2 under high leakage conditions. The results demonstrate that leakage from CCS projects may lead to additional greenhouse gas emissions from soil; however, in general, the amount of additional CH4 and N2O emissions is negligible when compared with the amount of leaked CO2. Copyright © 2015 Elsevier B.V. All rights reserved.

Development of the GOSAT-2 FTS-2 Simulator and Preliminary Sensitivity Analysis for CO2 Retrieval

Science.gov (United States)

Kamei, A.; Yoshida, Y.; Dupuy, E.; Hiraki, K.; Yokota, Y.; Oishi, Y.; Murakami, K.; Morino, I.; Matsunaga, T.

2013-12-01

The Greenhouse Gases Observing Satellite-2 (GOSAT-2), which is a successor mission to the GOSAT, is planned to be launched in FY 2017. The Fourier Transform Spectrometer-2 (FTS-2) onboard the GOSAT-2 is a primary sensor to observe infrared light reflected and emitted from the Earth's surface and atmosphere. The FTS-2 obtains high-spectral resolution spectra with four bands from near to short-wavelength infrared (SWIR) region and one band in the thermal infrared (TIR) region. The column amounts of carbon dioxide (CO2) and methane (CH4) are retrieved from the obtained radiance spectra with SWIR bands. Compared to the FTS onboard the GOSAT, the FTS-2 includes an additional SWIR band to allow for carbon monoxide (CO) measurement. We have been developing a tool, named GOSAT-2 FTS-2 simulator, which is capable of simulating the spectral radiance data observed by the FTS-2 using the Pstar2 radiative transfer code. The purpose of the GOSAT-2 FTS-2 simulator is to obtain data which is exploited in the sensor specification, the optimization of parameters for Level 1 processing, and the improvement of Level 2 algorithms. The GOSAT-2 FTS-2 simulator, composed of the six components: 1) Overall control, 2) Onboarding platform, 3) Spectral radiance calculation, 4) Fourier transform, 5) L1B processing, and 6) L1B data output, has been installed on the GOSAT Research Computation Facility (GOSAT RCF), which is a large-scale, high-performance, and energy-efficient computer. We present the progress in the development of the GOSAT-2 FTS-2 simulator and the preliminary sensitivity analysis, relating to the engineering parameters, the aerosols and clouds, and so on, on the Level 1 processing for CO2 retrieval from the obtained data by simulating the FTS-2 SWIR observation using the GOSAT-2 FTS-2 simulator.

CO2 adsorption-assisted CH4 desorption on carbon models of coal surface: A DFT study

Science.gov (United States)

Xu, He; Chu, Wei; Huang, Xia; Sun, Wenjing; Jiang, Chengfa; Liu, Zhongqing

2016-07-01

Injection of CO2 into coal is known to improve the yields of coal-bed methane gas. However, the technology of CO2 injection-enhanced coal-bed methane (CO2-ECBM) recovery is still in its infancy with an unclear mechanism. Density functional theory (DFT) calculations were performed to elucidate the mechanism of CO2 adsorption-assisted CH4 desorption (AAD). To simulate coal surfaces, different six-ring aromatic clusters (2 × 2, 3 × 3, 4 × 4, 5 × 5, 6 × 6, and 7 × 7) were used as simplified graphene (Gr) carbon models. The adsorption and desorption of CH4 and/or CO2 on these carbon models were assessed. The results showed that a six-ring aromatic cluster model (4 × 4) can simulate the coal surface with limited approximation. The adsorption of CO2 onto these carbon models was more stable than that in the case of CH4. Further, the adsorption energies of single CH4 and CO2 in the more stable site were -15.58 and -18.16 kJ/mol, respectively. When two molecules (CO2 and CH4) interact with the surface, CO2 compels CH4 to adsorb onto the less stable site, with a resulting significant decrease in the adsorption energy of CH4 onto the surface of the carbon model with pre-adsorbed CO2. The Mulliken charges and electrostatic potentials of CH4 and CO2 adsorbed onto the surface of the carbon model were compared to determine their respective adsorption activities and changes. At the molecular level, our results showed that the adsorption of the injected CO2 promoted the desorption of CH4, the underlying mechanism of CO2-ECBM.

Evaluation of CO2 free electricity trading market in Japan by multi-agent simulations

International Nuclear Information System (INIS)

Sichao, Kan; Yamamoto, Hiromi; Yamaji, Kenji

2010-01-01

As of November 2008, a new market, the CO 2 free electricity market, started pilot trading within the Japan Electric Power Exchange (JEPX). The electricity in this market comes from renewable resources, nuclear or fossil thermal power with CDM credits. The demanders of the CO 2 free electricity are supposed to be the power companies with high emission rates. In this paper, we analyzed the effects of the new market by using a multi-agent based model to simulate the markets. From our simulation results, we found that the demander, under strict CO 2 emission regulations, tends to buy more electricity from the new CO 2 free market even though the price of this market is higher than that of the normal power exchange market. Suppliers with hydro or nuclear power plants only sell their electricity to the CO 2 free market, and suppliers with coal power plants also enter this market (with CDM credits). The media and peak demands in the normal market are met mainly by electricity from LNG power plants. We also compared the results from the multi-agent approach with those from the least-cost planning approach and found that the results of the two methods were similar. (author)

Interannual Variability In the Atmospheric CO2 Rectification Over Boreal Forests Based On A Coupled Ecosystem-Atmosphere Model

Science.gov (United States)

Chen, B.; Chen, J. M.; Worthy, D.

2004-05-01

Ecosystem CO2 exchange and the planetary boundary layer (PBL) are correlated diurnally and seasonally. The simulation of this atmospheric rectifier effect is important in understanding the global CO2 distribution pattern. A 12-year (1990-1996, 1999-2003), continuous CO2 measurement record from Fraserdale, Ontario (located ~150 km north of Timmons), along with a coupled Vertical Diffusion Scheme (VDS) and ecosystem model (Boreal Ecosystem Productivity Simulator, BEPS), is used to investigate the interannual variability in this effect over a boreal forest region. The coupled model performed well in simulating CO2 vertical diffusion processes. Simulated annual atmospheric rectifier effects, (including seasonal and diurnal), quantified as the variation in the mean CO2 concentration from the surface to the top of the PBL, varied from 2.8 to 4.1 ppm, even though the modeled seasonal variations in the PBL depth were similar throughout the 12-year period. The differences in the interannual rectifier effect primarily resulted from changes in the biospheric CO2 uptake and heterotrophic respiration. Correlations in the year-to year variations of the CO2 rectification were found with mean annual air temperatures, simulated gross primary productivity (GPP) and heterotrophic respiration (Rh) (r2=0.5, 0.46, 0.42, respectively). A small increasing trend in the CO2 rectification was also observed. The year-to-year variation in the vertical distribution of the monthly mean CO2 mixing ratios (reflecting differences in the diurnal rectifier effect) was related to interannual climate variability, however, the seasonal rectifier effects were found to be more sensitive to climate variability than the diurnal rectifier effects.

Zeolitic Imidazolate Framework-8 Membrane for H2/CO2 Separation: Experimental and Modeling

Science.gov (United States)

Lai, L. S.; Yeong, Y. F.; Lau, K. K.; Azmi, M. S.; Chew, T. L.

2018-03-01

In this work, ZIF-8 membrane synthesized through solvent evaporation secondary seeded growth was tested for single gas permeation and binary gases separation of H2 and CO2. Subsequently, a modified mathematical modeling combining the effects of membrane and support layers was applied to represent the gas transport properties of ZIF-8 membrane. Results showed that, the membrane has exhibited H2/CO2 ideal selectivity of 5.83 and separation factor of 3.28 at 100 kPa and 303 K. Besides, the experimental results were fitted well with the simulated results by demonstrating means absolute error (MAE) values ranged from 1.13 % to 3.88 % for single gas permeation and 10.81 % to 21.22 % for binary gases separation. Based on the simulated data, most of the H2 and CO2 gas molecules have transported through the molecular pores of membrane layer, which was up to 70 %. Thus, the gas transport of the gases is mainly dominated by adsorption and diffusion across the membrane.

Co-producing simulation models to inform resource management: a case study from southwest South Dakota

Science.gov (United States)

Miller, Brian W.; Symstad, Amy J.; Frid, Leonardo; Fisichelli, Nicholas A.; Schuurman, Gregor W.

2017-01-01

Simulation models can represent complexities of the real world and serve as virtual laboratories for asking “what if…?” questions about how systems might respond to different scenarios. However, simulation models have limited relevance to real-world applications when designed without input from people who could use the simulated scenarios to inform their decisions. Here, we report on a state-and-transition simulation model of vegetation dynamics that was coupled to a scenario planning process and co-produced by researchers, resource managers, local subject-matter experts, and climate change adaptation specialists to explore potential effects of climate scenarios and management alternatives on key resources in southwest South Dakota. Input from management partners and local experts was critical for representing key vegetation types, bison and cattle grazing, exotic plants, fire, and the effects of climate change and management on rangeland productivity and composition given the paucity of published data on many of these topics. By simulating multiple land management jurisdictions, climate scenarios, and management alternatives, the model highlighted important tradeoffs between grazer density and vegetation composition, as well as between the short- and long-term costs of invasive species management. It also pointed to impactful uncertainties related to the effects of fire and grazing on vegetation. More broadly, a scenario-based approach to model co-production bracketed the uncertainty associated with climate change and ensured that the most important (and impactful) uncertainties related to resource management were addressed. This cooperative study demonstrates six opportunities for scientists to engage users throughout the modeling process to improve model utility and relevance: (1) identifying focal dynamics and variables, (2) developing conceptual model(s), (3) parameterizing the simulation, (4) identifying relevant climate scenarios and management

Experimental and simulation studies of iron oxides for geochemical fixation of CO2-SO2 gas mixtures

Science.gov (United States)

Garcia, Susana; Rosenbauer, Robert J.; Palandri, James; Maroto-Valer, M. Mercedes

2011-01-01

Iron-bearing minerals are reactive phases of the subsurface environment and could potentially trap CO2–SO2gas mixtures derived from fossil fuel combustion processes by their conversion to siderite (FeCO3) and dissolved sulfate. Changes in fluid and mineral compositions resulting from reactions, involving the co-injection of SO2 with CO2 were observed both theoretically and experimentally. Experiments were conducted with a natural hematite (α-Fe2O3) sample. A high pressure-high temperature apparatus was used to simulate conditions in geologic formations deeper than 800 m, where CO2 is in the supercritical state. Solid samples were allowed to react with a NaCl–NaOH brine and SO2-bearing CO2-dominated gas mixtures. The predicted equilibrium mineral assemblage at 100 °C and 250 bar became hematite, dawsonite (NaAl(OH)2CO3), siderite (FeCO3) and quartz (SiO2). Experimentally, siderite and dawsonite, derived from the presence of kaolinite (Al2Si2O5(OH)4) in the parent material, were present in residual solids at longer reaction time intervals, which agreed well with results from the modelling work.

Simulated 21st century's increase in oceanic suboxia by CO2-enhanced biotic carbon export

Science.gov (United States)

Oschlies, Andreas; Schulz, Kai G.; Riebesell, Ulf; Schmittner, Andreas

2008-12-01

The primary impacts of anthropogenic CO2 emissions on marine biogeochemical cycles predicted so far include ocean acidification, global warming induced shifts in biogeographical provinces, and a possible negative feedback on atmospheric CO2 levels by CO2-fertilized biological production. Here we report a new potentially significant impact on the oxygen-minimum zones of the tropical oceans. Using a model of global climate, ocean circulation, and biogeochemical cycling, we extrapolate mesocosm-derived experimental findings of a pCO2-sensitive increase in biotic carbon-to-nitrogen drawdown to the global ocean. For a simulation run from the onset of the industrial revolution until A.D. 2100 under a "business-as-usual" scenario for anthropogenic CO2 emissions, our model predicts a negative feedback on atmospheric CO2 levels, which amounts to 34 Gt C by the end of this century. While this represents a small alteration of the anthropogenic perturbation of the carbon cycle, the model results reveal a dramatic 50% increase in the suboxic water volume by the end of this century in response to the respiration of excess organic carbon formed at higher CO2 levels. This is a significant expansion of the marine "dead zones" with severe implications not only for all higher life forms but also for oxygen-sensitive nutrient recycling and, hence, for oceanic nutrient inventories.

Decadal trends in the seasonal-cycle amplitude of terrestrial CO2 exchange resulting from the ensemble of terrestrial biosphere models

Directory of Open Access Journals (Sweden)

Akihiko Ito

2016-05-01

Full Text Available The seasonal-cycle amplitude (SCA of the atmosphere–ecosystem carbon dioxide (CO2 exchange rate is a useful metric of the responsiveness of the terrestrial biosphere to environmental variations. It is unclear, however, what underlying mechanisms are responsible for the observed increasing trend of SCA in atmospheric CO2 concentration. Using output data from the Multi-scale Terrestrial Model Intercomparison Project (MsTMIP, we investigated how well the SCA of atmosphere–ecosystem CO2 exchange was simulated with 15 contemporary terrestrial ecosystem models during the period 1901–2010. Also, we made attempt to evaluate the contributions of potential mechanisms such as atmospheric CO2, climate, land-use, and nitrogen deposition, through factorial experiments using different combinations of forcing data. Under contemporary conditions, the simulated global-scale SCA of the cumulative net ecosystem carbon flux of most models was comparable in magnitude with the SCA of atmospheric CO2 concentrations. Results from factorial simulation experiments showed that elevated atmospheric CO2 exerted a strong influence on the seasonality amplification. When the model considered not only climate change but also land-use and atmospheric CO2 changes, the majority of the models showed amplification trends of the SCAs of photosynthesis, respiration, and net ecosystem production (+0.19 % to +0.50 % yr−1. In the case of land-use change, it was difficult to separate the contribution of agricultural management to SCA because of inadequacies in both the data and models. The simulated amplification of SCA was approximately consistent with the observational evidence of the SCA in atmospheric CO2 concentrations. Large inter-model differences remained, however, in the simulated global tendencies and spatial patterns of CO2 exchanges. Further studies are required to identify a consistent explanation for the simulated and observed amplification trends, including their

A modelling study of the multiphase leakage flow from pressurised CO{sub 2} pipeline

Energy Technology Data Exchange (ETDEWEB)

Zhou, Xuejin; Li, Kang [Department of Safety Science Engineering & State Key Laboratory of Fire Science, University of Science and Technology of China, Hefei, Anhui 230026 (China); Tu, Ran [College of Mechanical Engineering and Automation, Huaqiao University, Jimei, Xiamen 361000 (China); Yi, Jianxin; Xie, Qiyuan [Department of Safety Science Engineering & State Key Laboratory of Fire Science, University of Science and Technology of China, Hefei, Anhui 230026 (China); Jiang, Xi, E-mail: x.jiang@lancaster.ac.uk [Engineering Department, Lancaster University, Lancaster LA1 4YR (United Kingdom)

2016-04-05

Highlights: • A simplified model for CO{sub 2} decompression from high pressure pipelines is proposed. • The multiphase fluid was considered as a homogeneous equilibrium mixture. • Different real gas equations of state were incorporated into the model. • Detailed chocked flow calculation with capillary tube assumption was performed. • The model was validated against experimental data with discrepancies discussed. - Abstract: The accidental leakage is one of the main risks during the pipeline transportation of high pressure CO{sub 2}. The decompression process of high pressure CO{sub 2} involves complex phase transition and large variations of the pressure and temperature fields. A mathematical method based on the homogeneous equilibrium mixture assumption is presented for simulating the leakage flow through a nozzle in a pressurised CO{sub 2} pipeline. The decompression process is represented by two sub-models: the flow in the pipe is represented by the blowdown model, while the leakage flow through the nozzle is calculated with the capillary tube assumption. In the simulation, two kinds of real gas equations of state were employed in this model instead of the ideal gas equation of state. Moreover, results of the flow through the nozzle and measurement data obtained from laboratory experiments of pressurised CO{sub 2} pipeline leakage were compared for the purpose of validation. The thermodynamic processes of the fluid both in the pipeline and the nozzle were described and analysed.

Modeling and Simulated Annealing Optimization of Surface Roughness in CO2 Laser Nitrogen Cutting of Stainless Steel

Directory of Open Access Journals (Sweden)

M. Madić

2013-09-01

Full Text Available This paper presents a systematic methodology for empirical modeling and optimization of surface roughness in nitrogen, CO2 laser cutting of stainless steel . The surface roughness prediction model was developed in terms of laser power , cutting speed , assist gas pressure and focus position by using The artificial neural network ( ANN . To cover a wider range of laser cutting parameters and obtain an experimental database for the ANN model development, Taguchi 's L27 orthogonal array was implemented in the experimental plan. The developed ANN model was expressed as an explicit nonlinear function , while the influence of laser cutting parameters and their interactions on surface roughness were analyzed by generating 2D and 3D plots . The final goal of the experimental study Focuses on the determinationof the optimum laser cutting parameters for the minimization of surface roughness . Since the solution space of the developed ANN model is complex, and the possibility of many local solutions is great, simulated annealing (SA was selected as a method for the optimization of surface roughness.

Simulating the dispersion of NOx and CO2 in the city of Zurich at building resolving scale

Science.gov (United States)

Brunner, Dominik; Berchet, Antoine; Emmenegger, Lukas; Henne, Stephan; Müller, Michael

2017-04-01

Cities are emission hotspots for both greenhouse gases and air pollutants. They contribute about 70% of global greenhouse gas emissions and are home to a growing number of people potentially suffering from poor air quality in the urban environment. High-resolution atmospheric transport modelling of greenhouse gases and air pollutants at the city scale has, therefore, several important applications such as air pollutant exposure assessment, air quality forecasting, or urban planning and management. When combined with observations, it also has the potential to quantify emissions and monitor their long-term trends, which is the main motivation for the deployment of urban greenhouse gas monitoring networks. We have developed a comprehensive atmospheric modeling model system for the city of Zurich, Switzerland ( 600,000 inhabitants including suburbs), which is composed of the mesoscale model GRAMM simulating the flow in a larger domain around Zurich at 100 m resolution, and the nested high-resolution model GRAL simulating the flow and air pollutant dispersion in the city at building resolving (5-10 m) scale. Based on an extremely detailed emission inventory provided by the municipality of Zurich, we have simulated two years of hourly NOx and CO2 concentration fields across the entire city. Here, we present a detailed evaluation of the simulations against a comprehensive network of continuous monitoring sites and passive samplers for NOx and analyze the sensitivity of the results to the temporal variability of the emissions. Furthermore, we present first simulations of CO2 and investigate the challenges associated with CO2 sources not covered by the inventory such as human respiration and exchange fluxes with urban vegetation.

N2O and CO production by electric discharge - Atmospheric implications. [Venus atmosphere simulation

Science.gov (United States)

Levine, J. S.; Howell, W. E.; Hughes, R. E.; Chameides, W. L.

1979-01-01

Enhanced levels of N2O and CO were measured in tropospheric air samples exposed to a 17,500-J laboratory discharge. These enhanced levels correspond to an N2O production rate of about 4 trillion molecules/J and a CO production rate of about 10 to the 14th molecules/J. The CO measurements suggest that the primary region of chemical production in the discharge is the shocked air surrounding the lightning channel, as opposed to the slower-cooling inner core. Additional experiments in a simulated Venus atmosphere (CO2 - 95%, N2 - 5%, at one atmosphere) indicate an enhancement of CO from less than 0.1 ppm prior to the laboratory discharge to more than 2000 ppm after the discharge. Comparison with theoretical calculations appears to confirm the ability of a shock-wave/thermochemical model to predict the rate of production of trace species by an electrical discharge.

Model simulations of the competing climatic effects of SO2 and CO2

Science.gov (United States)

Kaufman, Yoram J.; Chou, Ming-Dah

1993-01-01

Sulfur dioxide-derived cloud condensation nuclei are expected to enhance the planetary albedo, thereby cooling the planet. This effect might counteract the global warming expected from enhanced greenhouse gases. A detailed treatment of the relationship between fossil fuel burning and the SO2 effect on cloud albedo is implemented in a two-dimensional model for assessing the climate impact. Using a conservative approach, results show that the cooling induced by the SO2 emission can presently counteract 50 percent of the CO2 greenhouse warming. Since 1980, a strong warming trend has been predicted by the model: 0.15 C during the 1980-1990 period alone. The model predicts that by the year 2060 the SO2 cooling reduces climate warming by 0.5 C or 25 percent for the Intergovernmental Panel on Climate Change (IPCC) business as usual (BAU) scenario and 0.2 C or 20 percent for scenario D (for a slow pace of fossil fuel burning). The hypothesis is examined that the different responses between the Northern Hemisphere and the Southern Hemisphere can be used to validate the presence of the SO2-induced cooling.

Experiment and simulation study on the effects of cement minerals on the water-rock-CO2 interaction during CO2 geological storage

Science.gov (United States)

Liu, N.; Cheng, J.

2016-12-01

The CO2 geological storage is one of the most promising technology to mitigate CO2 emission. The fate of CO2 underground is dramatically affected by the CO2-water-rock interaction, which are mainly dependent on the initial aquifer mineralogy and brine components. The cement minerals are common materials in sandstone reservoir but few attention has been paid for its effects on CO2-water-rock interaction. Five batch reactions, in which 5% cement minerals were assigned to be quartz, calcite, dolomite, chlorite and Ca-montmorillonite, respectively, were conducted to understanding the cement minerals behaviors and its corresponding effects on the matrix minerals alterations during CO2 geological storage. Pure mineral powders were selected to mix and assemble the 'sandstone rock' with different cement components meanwhile keeping the matrix minerals same for each group as 70% quartz, 20% K-feldspar and 5% albite. These `rock' reacted with 750ml deionized water and CO2 under 180° and 18MPa for 15 days, during which the water chemistry evolution and minerals surface micromorphology changes has been monitored. The minerals saturation indexes calculation and phase diagram as well as the kinetic models were made by PHREEQC to uncover the minerals reaction paths. The experiment results indicated that the quartz got less eroded, on the contrary, K-feldspar and albite continuously dissolved to favor the gibbsite and kaolinite precipitations. The carbonates cement minerals quickly dissolved to reach equilibrium with the pH buffered and in turn suppressed the alkali feldspar dissolutions. No carbonates minerals precipitations occurred until the end of reactions for all groups. The simulation results were basically consistent with the experiment record but failed to simulate the non-stoichiometric reactions and the minerals kinetic rates seemed underestimated at the early stage of reactions. The cement minerals significantly dominated the reaction paths during CO2 geological

Explaining CO2 fluctuations observed in snowpacks

Science.gov (United States)

Graham, Laura; Risk, David

2018-02-01

Winter soil carbon dioxide (CO2) respiration is a significant and understudied component of the global carbon (C) cycle. Winter soil CO2 fluxes can be surprisingly variable, owing to physical factors such as snowpack properties and wind. This study aimed to quantify the effects of advective transport of CO2 in soil-snow systems on the subdiurnal to diurnal (hours to days) timescale, use an enhanced diffusion model to replicate the effects of CO2 concentration depletions from persistent winds, and use a model-measure pairing to effectively explore what is happening in the field. We took continuous measurements of CO2 concentration gradients and meteorological data at a site in the Cape Breton Highlands of Nova Scotia, Canada, to determine the relationship between wind speeds and CO2 levels in snowpacks. We adapted a soil CO2 diffusion model for the soil-snow system and simulated stepwise changes in transport rate over a broad range of plausible synthetic cases. The goal was to mimic the changes we observed in CO2 snowpack concentration to help elucidate the mechanisms (diffusion, advection) responsible for observed variations. On subdiurnal to diurnal timescales with varying winds and constant snow levels, a strong negative relationship between wind speed and CO2 concentration within the snowpack was often identified. Modelling clearly demonstrated that diffusion alone was unable to replicate the high-frequency CO2 fluctuations, but simulations using above-atmospheric snowpack diffusivities (simulating advective transport within the snowpack) reproduced snow CO2 changes of the observed magnitude and speed. This confirmed that wind-induced ventilation contributed to episodic pulsed emissions from the snow surface and to suppressed snowpack concentrations. This study improves our understanding of winter CO2 dynamics to aid in continued quantification of the annual global C cycle and demonstrates a preference for continuous wintertime CO2 flux measurement systems.

Modelling regional scale surface fluxes, meteorology and CO2 mixing ratios for the Cabauw tower in the Netherlands

NARCIS (Netherlands)

Tolk, L.F.; Peters, W.; Meesters, A.G.C.A.; Groenendijk, M.; Vermeulen, A.T.; Steeneveld, G.J.; Dolman, A.J.

2009-01-01

We simulated meteorology and atmospheric CO2 transport over the Netherlands with the mesoscale model RAMS-Leaf3 coupled to the biospheric CO2 flux model 5PM. The results were compared with meteorological and CO2 observations, with emphasis on the tall tower of Cabauw. An analysis of the coupled

TMAP-7 simulation of D2 thermal release data from Be co-deposited layers

International Nuclear Information System (INIS)

Baldwin, M.J.; Schwarz-Selinger, T.; Yu, J.H.; Doerner, R.P.

2013-01-01

The efficacy of (1) bake-out at 513 K and 623 K, and (2) thermal transient (10 ms) loading to up to 1000 K, is explored for reducing D inventory in 1 μm thick Be–D (D/Be ∼0.1) co-deposited layers formed at 323 K for experiment (1) and ∼500 K for experiment (2). D release data from co-deposits are obtained by thermal desorption and used to validate a model input into the Tritium Migration and Analysis Program 7 (TMAP). In (1), good agreement with experiment is found for a TMAP model encorporating traps of activation energies, 0.80 eV and 0.98 eV, whereas an additional 2 eV trap was required to model experiment (2). Thermal release is found to be trap limited, but simulations are optimal when surface recombination is taken into account. Results suggest that thick built-up co-deposited layers will hinder ITER inventory control, and that bake periods (∼1 day) will be more effective in inventory reduction than transient thermal loading

TMAP-7 simulation of D2 thermal release data from Be co-deposited layers

Science.gov (United States)

Baldwin, M. J.; Schwarz-Selinger, T.; Yu, J. H.; Doerner, R. P.

2013-07-01

The efficacy of (1) bake-out at 513 K and 623 K, and (2) thermal transient (10 ms) loading to up to 1000 K, is explored for reducing D inventory in 1 μm thick Be-D (D/Be ˜0.1) co-deposited layers formed at 323 K for experiment (1) and ˜500 K for experiment (2). D release data from co-deposits are obtained by thermal desorption and used to validate a model input into the Tritium Migration & Analysis Program 7 (TMAP). In (1), good agreement with experiment is found for a TMAP model encorporating traps of activation energies, 0.80 eV and 0.98 eV, whereas an additional 2 eV trap was required to model experiment (2). Thermal release is found to be trap limited, but simulations are optimal when surface recombination is taken into account. Results suggest that thick built-up co-deposited layers will hinder ITER inventory control, and that bake periods (˜1 day) will be more effective in inventory reduction than transient thermal loading.

Amazon rainforest responses to elevated CO2: Deriving model-based hypotheses for the AmazonFACE experiment

Science.gov (United States)

Rammig, A.; Fleischer, K.; Lapola, D.; Holm, J.; Hoosbeek, M.

2017-12-01

Increasing atmospheric CO2 concentration is assumed to have a stimulating effect ("CO2 fertilization effect") on forest growth and resilience. Empirical evidence, however, for the existence and strength of such a tropical CO2 fertilization effect is scarce and thus a major impediment for constraining the uncertainties in Earth System Model projections. The implications of the tropical CO2 effect are far-reaching, as it strongly influences the global carbon and water cycle, and hence future global climate. In the scope of the Amazon Free Air CO2 Enrichment (FACE) experiment, we addressed these uncertainties by assessing the CO2 fertilization effect at ecosystem scale. AmazonFACE is the first FACE experiment in an old-growth, highly diverse tropical rainforest. Here, we present a priori model-based hypotheses for the experiment derived from a set of 12 ecosystem models. Model simulations identified key uncertainties in our understanding of limiting processes and derived model-based hypotheses of expected ecosystem responses to elevated CO2 that can directly be tested during the experiment. Ambient model simulations compared satisfactorily with in-situ measurements of ecosystem carbon fluxes, as well as carbon, nitrogen, and phosphorus stocks. Models consistently predicted an increase in photosynthesis with elevated CO2, which declined over time due to developing limitations. The conversion of enhanced photosynthesis into biomass, and hence ecosystem carbon sequestration, varied strongly among the models due to different assumptions on nutrient limitation. Models with flexible allocation schemes consistently predicted an increased investment in belowground structures to alleviate nutrient limitation, in turn accelerating turnover rates of soil organic matter. The models diverged on the prediction for carbon accumulation after 10 years of elevated CO2, mainly due to contrasting assumptions in their phosphorus cycle representation. These differences define the expected

Simulating the Snowball Stratosphere and Its Influence On CO2 Inference

Science.gov (United States)

Graham, R. J.; Shaw, T.; Abbot, D. S.

2017-12-01

According to the snowball Earth hypothesis, a large quantity of CO2 must build up during an event in order to cause eventual deglaciation. One prediction of this model is a depletion in atmospheric oxygen-17 as a result of stratospheric chemical reactions, which has been observed in preserved barite minerals. This represents one of the most dramatic and compelling pieces of evidence in support of the snowball Earth hypothesis. The inference of anomalous atmospheric oxygen-17 based on measurements of barite minerals, however, was made by assuming that the stratosphere-troposphere mass exchange rate and mixing within the stratosphere were the same as the present. In this contribution we test these assumptions with simulations of modern and snowball atmospheric conditions using the global climate model ECHAM5. Our simulations are still running, but we will have results to report by December.

Response of wheat growth, grain yield and water use to elevated CO2 under a Free-Air CO2 Enrichment (FACE) experiment and modelling in a semi-arid environment.

Science.gov (United States)

O'Leary, Garry J; Christy, Brendan; Nuttall, James; Huth, Neil; Cammarano, Davide; Stöckle, Claudio; Basso, Bruno; Shcherbak, Iurii; Fitzgerald, Glenn; Luo, Qunying; Farre-Codina, Immaculada; Palta, Jairo; Asseng, Senthold

2014-12-05

The response of wheat crops to elevated CO 2 (eCO 2 ) was measured and modelled with the Australian Grains Free-Air CO 2 Enrichment experiment, located at Horsham, Australia. Treatments included CO 2 by water, N and temperature. The location represents a semi-arid environment with a seasonal VPD of around 0.5 kPa. Over 3 years, the observed mean biomass at anthesis and grain yield ranged from 4200 to 10 200 kg ha -1 and 1600 to 3900 kg ha -1 , respectively, over various sowing times and irrigation regimes. The mean observed response to daytime eCO 2 (from 365 to 550 μmol mol -1 CO 2 ) was relatively consistent for biomass at stem elongation and at anthesis and LAI at anthesis and grain yield with 21%, 23%, 21% and 26%, respectively. Seasonal water use was decreased from 320 to 301 mm (P = 0.10) by eCO 2 , increasing water use efficiency for biomass and yield, 36% and 31%, respectively. The performance of six models (APSIM-Wheat, APSIM-Nwheat, CAT-Wheat, CROPSYST, OLEARY-CONNOR and SALUS) in simulating crop responses to eCO 2 was similar and within or close to the experimental error for accumulated biomass, yield and water use response, despite some variations in early growth and LAI. The primary mechanism of biomass accumulation via radiation use efficiency (RUE) or transpiration efficiency (TE) was not critical to define the overall response to eCO 2 . However, under irrigation, the effect of late sowing on response to eCO 2 to biomass accumulation at DC65 was substantial in the observed data (~40%), but the simulated response was smaller, ranging from 17% to 28%. Simulated response from all six models under no water or nitrogen stress showed similar response to eCO 2 under irrigation, but the differences compared to the dryland treatment were small. Further experimental work on the interactive effects of eCO 2 , water and temperature is required to resolve these model discrepancies. © 2014 John Wiley & Sons Ltd.

Carbon dioxide sequestration: Modeling the diffusive and convective transport under a CO2 cap

KAUST Repository

Allen, Rebecca

2012-01-01

A rise in carbon dioxide levels from industrial emissions is contributing to the greenhouse effect and global warming. CO2 sequestration in saline aquifers is a strategy to reduce atmospheric CO2 levels. Scientists and researchers rely on numerical simulators to predict CO2 storage by modeling the fluid transport behaviour. Studies have shown that after CO2 is injected into a saline aquifer, undissolved CO2 rises due to buoyant forces and will spread laterally away from the injection site under an area of low permeability. CO2 from this ‘capped\\' region diffuses into the fluid underlying it, and the resulting CO2-fluid mixture increases in density. This increase in density leads to gravity-driven convection. Accordingly, diffusive-convective transport is important to model since it predicts an enhanced storage capacity of the saline aquifer. This work incorporates the diffusive and convective transport processes into the transport modeling equation, and uses a self-generated code. Discretization of the domain is done with a cell-centered finite difference method. Cases are set up using similar parameters from published literature in order to compare results. Enhanced storage capacity is predicted in this work, similar to work done by others. A difference in the onset of convective transport between this work and published results is noticed and discussed in this paper. A sensitivity analysis is performed on the density model used in this work, and on the diffusivity value assumed. The analysis shows that the density model and diffusivity value is a key component on simulation results. Also, perturbations are added to porosity and permeability in order to see the effect of perturbations on the onset of convection, and results agree with similar findings by others. This work provides a basis for studying other cases, such as the impact of heterogeneity on the diffusion-convective transport. An extension of this work may involve the use of an equation of state to

[CO2 response process and its simulation of Prunus sibirica photosynthesis under different soil moisture conditions].

Science.gov (United States)

Wu, Qin; Zhang, Guang-Can; Pei, Bin; Xu, Zhi-Qiang; Zhao, Yu; Fang, Li-Dong

2013-06-01

Taking the two-year old potted Prunus sibirica seedlings as test materials, and using CIRAS-2 photosynthetic system, this paper studied the CO2 response process of P. sibirica photosynthesis in semi-arid loess hilly region under eight soil moisture conditions. The CO2 response data of P. sibirica were fitted and analyzed by rectangular hyperbola model, exponential equation, and modified rectangular hyperbola model. Meanwhile, the quantitative relationships between the photosynthesis and the soil moisture were discussed. The results showed that the CO2 response process of P. sibirica photosynthesis had obvious response characteristics to the soil moisture threshold. The relative soil water content (RWC) required to maintain the higher photosynthetic rate (P(n)) and carboxylation efficiency (CE) of P. sibirica was in the range of 46.3%-81.9%. In this RWC range, the photosynthesis did not appear obvious CO2 saturated inhibition phenomenon. When the RWC exceeded this range, the photosynthetic capacity (P(n max)), CE, and CO2 saturation point (CSP) decreased evidently. Under different soil moisture conditions, there existed obvious differences among the three models in simulating the CO2 response data of P. sibirica. When the RWC was in the range of 46.3%-81.9%, the CO2 response process and the characteristic parameters such as CE, CO2 compensation point (see symbol), and photorespiration rate (R(p)) could be well fitted by the three models, and the accuracy was in the order of modified rectangular hyperbola model > exponential equation > rectangular hyperbola model. When the RWC was too high or too low, namely, the RWC was > 81.9% or CO2 response process and the characteristic parameters. It was suggested that when the RWC was from 46.3% to 81.9%, the photosynthetic efficiency of P. sibirica was higher, and, as compared with rectangular hyperbola model and exponential equation, modified rectangular hyperbola model had more applicability to fit the CO2 response data of

Simulation of CO2–water–rock interactions on geologic CO2 sequestration under geological conditions of China

International Nuclear Information System (INIS)

Wang, Tianye; Wang, Huaiyuan; Zhang, Fengjun; Xu, Tianfu

2013-01-01

Highlights: • We determined the feasibilities of geologic CO 2 sequestration in China. • We determined the formation of gibbsite suggested CO 2 can be captured by rocks. • We suggested the mechanisms of CO 2 –water–rock interactions. • We found the corrosion and dissolution of the rock increased as temperature rose. -- Abstract: The main purpose of this study focused on the feasibility of geologic CO 2 sequestration within the actual geological conditions of the first Carbon Capture and Storage (CCS) project in China. This study investigated CO 2 –water–rock interactions under simulated hydrothermal conditions via physicochemical analyses and scanning electron microscopy (SEM). Mass loss measurement and SEM showed that corrosion of feldspars, silica, and clay minerals increased with increasing temperature. Corrosion of sandstone samples in the CO 2 -containing fluid showed a positive correlation with temperature. During reaction at 70 °C, 85 °C, and 100 °C, gibbsite (an intermediate mineral product) formed on the sample surface. This demonstrated mineral capture of CO 2 and supported the feasibility of geologic CO 2 sequestration. Chemical analyses suggested a dissolution–reprecipitation mechanism underlying the CO 2 –water–rock interactions. The results of this study suggested that mineral dissolution, new mineral precipitation, and carbonic acid formation-dissociation are closely interrelated in CO 2 –water–rock interactions

A reaction-diffusion model of CO2 influx into an oocyte

Science.gov (United States)

Somersalo, Erkki; Occhipinti, Rossana; Boron, Walter F.; Calvetti, Daniela

2012-01-01

We have developed and implemented a novel mathematical model for simulating transients in surface pH (pHS) and intracellular pH (pHi) caused by the influx of carbon dioxide (CO2) into a Xenopus oocyte. These transients are important tools for studying gas channels. We assume that the oocyte is a sphere surrounded by a thin layer of unstirred fluid, the extracellular unconvected fluid (EUF), which is in turn surrounded by the well-stirred bulk extracellular fluid (BECF) that represents an infinite reservoir for all solutes. Here, we assume that the oocyte plasma membrane is permeable only to CO2. In both the EUF and intracellular space, solute concentrations can change because of diffusion and reactions. The reactions are the slow equilibration of the CO2 hydration-dehydration reactions and competing equilibria among carbonic acid (H2CO3)/bicarbonate ( HCO3-) and a multitude of non-CO2/HCO3- buffers. Mathematically, the model is described by a coupled system of reaction-diffusion equations that—assuming spherical radial symmetry—we solved using the method of lines with appropriate stiff solvers. In agreement with experimental data (Musa-Aziz et al, PNAS 2009, 106:5406–5411), the model predicts that exposing the cell to extracellular 1.5% CO2/10 mM HCO3- (pH 7.50) causes pHi to fall and pHS to rise rapidly to a peak and then decay. Moreover, the model provides insights into the competition between diffusion and reaction processes when we change the width of the EUF, membrane permeability to CO2, native extra-and intracellular carbonic anhydrase-like activities, the non-CO2/HCO3- (intrinsic) intracellular buffering power, or mobility of intrinsic intracellular buffers. PMID:22728674

Response of atmospheric CO2 to changes in land use

International Nuclear Information System (INIS)

King, A.W.; Emanuel, W.R.; Post, W.M.

1991-01-01

This chapter examines how different histories of CO 2 release from past changes in land use influence the simulation of past and future changes in atmospheric CO 2 . The authors first simulate past change in atmospheric CO 2 using reconstructed histories of land-use CO 2 release from a historical-ecological model of land-use change and CO 2 release. They examine the impact of each history on the coincidence between simulated and observed atmospheric CO 2 . They then compare these CO 2 release histories, and their contribution to coincidence or noncoincidence of simulation and observation, with histories reconstructed by deconvolution of the atmospheric CO 2 record. They conclude by exploring the implications of these deconvolved reconstructions for the simulation of future changes in atmospheric CO 2

Transpiration and CO2 fluxes of a pine forest: modelling the undergrowth effect

Directory of Open Access Journals (Sweden)

V. Rivalland

2005-02-01

Full Text Available A modelling study is performed in order to quantify the relative effect of allowing for the physiological properties of an undergrowth grass sward on total canopy water and carbon fluxes of the Le-Bray forest (Les-Landes, South-western France. The Le-Bray forest consists of maritime pine and an herbaceous undergrowth (purple moor-grass, which is characterised by a low stomatal control of transpiration, in contrast to maritime pine. A CO2-responsive land surface model is used that includes responses of woody and herbaceous species to water stress. An attempt is made to represent the properties of the undergrowth vegetation in the land surface model Interactions between Soil, Biosphere, and Atmosphere, CO2-responsive, ISBA-A-gs. The new adjustment allows for a fairly different environmental response between the forest canopy and the understory in a simple manner. The model's simulations are compared with long term (1997 and 1998 micro-meteorological measurements over the Le-Bray site. The fluxes of energy, water and CO2, are simulated with and without the improved representation of the undergrowth vegetation, and the two simulations are compared with the observations. Accounting for the undergrowth permits one to improve the model's scores. A simple sensitivity experiment shows the behaviour of the model in response to climate change conditions, and the understory effect on the water balance and carbon storage of the forest. Accounting for the distinct characteristics of the undergrowth has a substantial and positive effect on the model accuracy and leads to a different response to climate change scenarios.

CO_2 emission trends of China's primary aluminum industry: A scenario analysis using system dynamics model

International Nuclear Information System (INIS)

Li, Qiang; Zhang, Wenjuan; Li, Huiquan; He, Peng

2017-01-01

China announced its promise on CO_2 emission peak. When and what level of CO_2 emission peak China's primary aluminum industry will reach is in suspense. In this paper, a system dynamic model is established, with five subsystems of economy development, primary aluminum production, secondary aluminum production, CO_2 emission intensity and policies making involved. The model is applied to examine potential CO_2 emission trends of China's primary aluminum industry in next fifteen years with three scenarios of “no new policies”, “13th five-year plan” and “additional policies”. Simulation results imply that: merely relying on rapid expansion of domestic scarps recycling and reuse could not mitigate CO_2 emission continuously. Combination of energy-saving technology application and electrolytic technology innovation, as well as promoting hydropower utilization in primary aluminum industry are necessary for long term low-carbon development. From a global prospective, enhancing international cooperation on new primary aluminum capacity construction in other countries, especially with rich low-carbon energy, could bring about essential CO_2 emission for both China's and global primary aluminum industry. - Highlights: • A system dynamic model is established for future CO_2 emission trend of China's primary aluminum industry. • Three potential policy scenarios are simulated. • The impacts of potential policies implication on the CO_2 emission trend are discussed.

A coupling alternative to reactive transport simulations for long-term prediction of chemical reactions in heterogeneous CO2 storage systems

Directory of Open Access Journals (Sweden)

M. De Lucia

2015-02-01

Full Text Available Fully coupled, multi-phase reactive transport simulations of CO2 storage systems can be approximated by a simplified one-way coupling of hydrodynamics and reactive chemistry. The main characteristics of such systems, and hypotheses underlying the proposed alternative coupling, are (i that the presence of CO2 is the only driving force for chemical reactions and (ii that its migration in the reservoir is only marginally affected by immobilisation due to chemical reactions. In the simplified coupling, the exposure time to CO2 of each element of the hydrodynamic grid is estimated by non-reactive simulations and the reaction path of one single batch geochemical model is applied to each grid element during its exposure time. In heterogeneous settings, analytical scaling relationships provide the dependency of velocity and amount of reactions to porosity and gas saturation. The analysis of TOUGHREACT fully coupled reactive transport simulations of CO2 injection in saline aquifer, inspired to the Ketzin pilot site (Germany, both in homogeneous and heterogeneous settings, confirms that the reaction paths predicted by fully coupled simulations in every element of the grid show a high degree of self-similarity. A threshold value for the minimum concentration of dissolved CO2 considered chemically active is shown to mitigate the effects of the discrepancy between dissolved CO2 migration in non-reactive and fully coupled simulations. In real life, the optimal threshold value is unknown and has to be estimated, e.g. by means of 1-D or 2-D simulations, resulting in an uncertainty ultimately due to the process de-coupling. However, such uncertainty is more than acceptable given that the alternative coupling enables using grids of the order of millions of elements, profiting from much better description of heterogeneous reservoirs at a fraction of the calculation time of fully coupled models.

Probabilistic modelling of rock damage: application to geological storage of CO2

International Nuclear Information System (INIS)

Guy, N.

2010-01-01

The storage of CO 2 in deep geological formations is considered as a possible way to reduce emissions of greenhouse gases in the atmosphere. The condition of the rocks constituting the reservoir is a key parameter on which rely both storage safety and efficiency. The objective of this thesis is to characterize the risks generated by a possible change of mechanical and transfer properties of the material of the basement after an injection of CO 2 . Large-scale simulations aiming at representing the process of injection of CO 2 at the supercritical state into an underground reservoir were performed. An analysis of the obtained stress fields shows the possibility of generating various forms of material degradation for high injection rates. The work is devoted to the study of the emergence of opened cracks. Following an analytical and simplified study of the initiation and growth of opened cracks based on a probabilistic model, it is shown that the formation of a crack network is possible. The focus is then to develop in the finite element code Code Aster a numerical tool to simulate the formation of crack networks. A nonlocal model based on stress regularization is proposed. A test on the stress intensity factor is used to describe crack propagation. The initiation of new cracks is modeled by a Poisson-Weibull process. The used parameters are identified by an experimental campaign conducted on samples from an actual geological site for CO 2 storage. The model developed is then validated on numerical cases, and also against experimental results carried out herein. (author)

Modeling the transformation of atmospheric CO2 into microalgal biomass.

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Hasan, Mohammed Fahad; Vogt, Frank

2017-10-23

Marine phytoplankton acts as a considerable sink of atmospheric CO 2 as it sequesters large quantities of this greenhouse gas for biomass production. To assess microalgae's counterbalancing of global warming, the quantities of CO 2 they fix need to be determined. For this task, it is mandatory to understand which environmental and physiological parameters govern this transformation from atmospheric CO 2 to microalgal biomass. However, experimental analyses are challenging as it has been found that the chemical environment has a major impact on the physiological properties of the microalgae cells (diameter typ. 5-20 μm). Moreover, the cells can only chemically interact with their immediate vicinity and thus compound sequestration needs to be studied on a microscopic spatial scale. Due to these reasons, computer simulations are a more promising approach than the experimental studies. Modeling software has been developed that describes the dissolution of atmospheric CO 2 into oceans followed by the formation of HCO 3 - which is then transported to individual microalgae cells. The second portion of this model describes the competition of different cell species for this HCO 3 - , a nutrient, as well as its uptake and utilization for cell production. Two microalgae species, i.e. Dunaliella salina and Nannochloropsis oculata, were cultured individually and in a competition situation under different atmospheric CO 2 conditions. It is shown that this novel model's predictions of biomass production are in very good agreement with the experimental flow cytometry results. After model validation, it has been applied to long-term prediction of phytoplankton generation. These investigations were motivated by the question whether or not cell production slows down as cultures grow. This is of relevance as a reduced cell production rate means that the increase in a culture's CO 2 -sinking capacity slows down as well. One implication resulting from this is that an increase in

Thermodynamic Data for Geochemical Modeling of Carbonate Reactions Associated with CO2 Sequestration - Literature Review

International Nuclear Information System (INIS)

Krupka, Kenneth M.; Cantrell, Kirk J.; McGrail, B. Peter

2010-01-01

Permanent storage of anthropogenic CO 2 in deep geologic formations is being considered as a means to reduce the concentration of atmospheric CO 2 and thus its contribution to global climate change. To ensure safe and effective geologic sequestration, numerous studies have been completed of the extent to which the CO 2 migrates within geologic formations and what physical and geochemical changes occur in these formations when CO 2 is injected. Sophisticated, computerized reservoir simulations are used as part of field site and laboratory CO 2 sequestration studies. These simulations use coupled multiphase flow-reactive chemical transport models and/or standalone (i.e., no coupled fluid transport) geochemical models to calculate gas solubility, aqueous complexation, reduction/oxidation (redox), and/or mineral solubility reactions related to CO 2 injection and sequestration. Thermodynamic data are critical inputs to modeling geochemical processes. The adequacy of thermodynamic data for carbonate compounds has been identified as an important data requirement for the successful application of these geochemical reaction models to CO 2 sequestration. A review of thermodynamic data for CO 2 gas and carbonate aqueous species and minerals present in published data compilations and databases used in geochemical reaction models was therefore completed. Published studies that describe mineralogical analyses from CO 2 sequestration field and natural analogue sites and laboratory studies were also reviewed to identify specific carbonate minerals that are important to CO 2 sequestration reactions and therefore require thermodynamic data. The results of the literature review indicated that an extensive thermodynamic database exists for CO 2 and CH 4 gases, carbonate aqueous species, and carbonate minerals. Values of Δ f G 298 o and/or log K r,298 o are available for essentially all of these compounds. However, log K r,T o or heat capacity values at temperatures above 298 K exist

Regional-scale brine migration along vertical pathways due to CO2 injection - Part 1: The participatory modeling approach

Science.gov (United States)

Scheer, Dirk; Konrad, Wilfried; Class, Holger; Kissinger, Alexander; Knopf, Stefan; Noack, Vera

2017-06-01

Saltwater intrusion into potential drinking water aquifers due to the injection of CO2 into deep saline aquifers is one of the potential hazards associated with the geological storage of CO2. Thus, in a site selection process, models for predicting the fate of the displaced brine are required, for example, for a risk assessment or the optimization of pressure management concepts. From the very beginning, this research on brine migration aimed at involving expert and stakeholder knowledge and assessment in simulating the impacts of injecting CO2 into deep saline aquifers by means of a participatory modeling process. The involvement exercise made use of two approaches. First, guideline-based interviews were carried out, aiming at eliciting expert and stakeholder knowledge and assessments of geological structures and mechanisms affecting CO2-induced brine migration. Second, a stakeholder workshop including the World Café format yielded evaluations and judgments of the numerical modeling approach, scenario selection, and preliminary simulation results. The participatory modeling approach gained several results covering brine migration in general, the geological model sketch, scenario development, and the review of the preliminary simulation results. These results were included in revised versions of both the geological model and the numerical model, helping to improve the analysis of regional-scale brine migration along vertical pathways due to CO2 injection.

The improvement of CO2 emission reduction policies based on system dynamics method in traditional industrial region with large CO2 emission

International Nuclear Information System (INIS)

Li, Fujia; Dong, Suocheng; Li, Zehong; Li, Yu; Li, Shantong; Wan, Yongkun

2012-01-01

Some traditional industrial regions are characterized by high industrial proportion and large CO 2 emission. They are facing dual pressures of maintaining economic growth and largely reducing CO 2 emission. From the perspective of study of typological region, taking the typical traditional industrial region—Liaoning Province of China as a case, this study establishes a system dynamics model named EECP and dynamically simulates CO 2 emission trends under different conditions. Simulation results indicate, compared to the condition without CO 2 emission reduction policies, CO 2 emission intensity under the condition of implementing CO 2 emission reduction policies of “Twelfth Five-Year Plan” is decreased by 11% from 2009 to 2030, but the economic cost is high, making the policies implementation faces resistance. Then some improved policies are offered and proved by EECP model that they can reduce CO 2 emission intensity after 2021 and decrease the negative influence to GDP, realizing the improvement objects of reducing CO 2 emission and simultaneously keeping a higher economy growth speed. The improved policies can provide reference for making and improving CO 2 emission reduction policies in other traditional industrial regions with large CO 2 emission. Simultaneously, EECP model can provide decision-makers with reference and help for similar study of energy policy. - Highlights: ► We build EECP model for CO 2 emission reduction study in traditional industry region. ► By the model, we simulate CO 2 emission trend and improve emission reduction policy. ► By improvement, both CO 2 emission intensity and economic cost can be largely reduced. ► Besides CO 2 emission is reduced effectively, higher GDP increment speed is kept. ► EECP model can be widely used for making and improving regional energy policies.

Modelling CO2 emissions from water surface of a boreal hydroelectric reservoir.

Science.gov (United States)

Wang, Weifeng; Roulet, Nigel T; Kim, Youngil; Strachan, Ian B; Del Giorgio, Paul; Prairie, Yves T; Tremblay, Alain

2018-01-15

To quantify CO 2 emissions from water surface of a reservoir that was shaped by flooding the boreal landscape, we developed a daily time-step reservoir biogeochemistry model. We calibrated the model using the measured concentrations of dissolved organic and inorganic carbon (C) in a young boreal hydroelectric reservoir, Eastmain-1 (EM-1), in northern Quebec, Canada. We validated the model against observed CO 2 fluxes from an eddy covariance tower in the middle of EM-1. The model predicted the variability of CO 2 emissions reasonably well compared to the observations (root mean square error: 0.4-1.3gCm -2 day -1 , revised Willmott index: 0.16-0.55). In particular, we demonstrated that the annual reservoir surface effluxes were initially high, steeply declined in the first three years, and then steadily decreased to ~115gCm -2 yr -1 with increasing reservoir age over the estimated "engineering" reservoir lifetime (i.e., 100years). Sensitivity analyses revealed that increasing air temperature stimulated CO 2 emissions by enhancing CO 2 production in the water column and sediment, and extending the duration of open water period over which emissions occur. Increasing the amount of terrestrial organic C flooded can enhance benthic CO 2 fluxes and CO 2 emissions from the reservoir water surface, but the effects were not significant over the simulation period. The model is useful for the understanding of the mechanism of C dynamics in reservoirs and could be used to assist the hydro-power industry and others interested in the role of boreal hydroelectric reservoirs as sources of greenhouse gas emissions. Copyright © 2017 Elsevier B.V. All rights reserved.

The Ohio River Valley CO2 Storage Project AEP Mountaineer Plant, West Virginia Numerical Simulation and Risk Assessment Report

Energy Technology Data Exchange (ETDEWEB)

Neeraj Gupta

2008-03-31

A series of numerical simulations of carbon dioxide (CO{sub 2}) injection were conducted as part of a program to assess the potential for geologic sequestration in deep geologic reservoirs (the Rose Run and Copper Ridge formations), at the American Electric Power (AEP) Mountaineer Power Plant outside of New Haven, West Virginia. The simulations were executed using the H{sub 2}O-CO{sub 2}-NaCl operational mode of the Subsurface Transport Over Multiple Phases (STOMP) simulator (White and Oostrom, 2006). The objective of the Rose Run formation modeling was to predict CO{sub 2} injection rates using data from the core analysis conducted on the samples. A systematic screening procedure was applied to the Ohio River Valley CO{sub 2} storage site utilizing the Features, Elements, and Processes (FEP) database for geological storage of CO{sub 2} (Savage et al., 2004). The objective of the screening was to identify potential risk categories for the long-term geological storage of CO{sub 2} at the Mountaineer Power Plant in New Haven, West Virginia. Over 130 FEPs in seven main classes were assessed for the project based on site characterization information gathered in a geological background study, testing in a deep well drilled on the site, and general site conditions. In evaluating the database, it was apparent that many of the items were not applicable to the Mountaineer site based its geologic framework and environmental setting. Nine FEPs were identified for further consideration for the site. These FEPs generally fell into categories related to variations in subsurface geology, well completion materials, and the behavior of CO{sub 2} in the subsurface. Results from the screening were used to provide guidance on injection system design, developing a monitoring program, performing reservoir simulations, and other risk assessment efforts. Initial work indicates that the significant FEPs may be accounted for by focusing the storage program on these potential issues. The

Numerical Simulation and Optimization of Enhanced Oil Recovery by the In Situ Generated CO2 Huff-n-Puff Process with Compound Surfactant

Directory of Open Access Journals (Sweden)

Yong Tang

2016-01-01

Full Text Available This paper presents the numerical investigation and optimization of the operating parameters of the in situ generated CO2 Huff-n-Puff method with compound surfactant on the performance of enhanced oil recovery. First, we conducted experiments of in situ generated CO2 and surfactant flooding. Next, we constructed a single-well radial 3D numerical model using a thermal recovery chemical flooding simulator to simulate the process of CO2 Huff-n-Puff. The activation energy and reaction enthalpy were calculated based on the reaction kinetics and thermodynamic models. The interpolation parameters were determined through history matching a series of surfactant core flooding results with the simulation model. The effect of compound surfactant on the Huff-n-Puff CO2 process was demonstrated via a series of sensitivity studies to quantify the effects of a number of operation parameters including the injection volume and mole concentration of the reagent, the injection rate, the well shut-in time, and the oil withdrawal rate. Based on the daily production rate during the period of Huff-n-Puff, a desirable agreement was shown between the field applications and simulated results.

Comprehensive ecosystem model-data synthesis using multiple data sets at two temperate forest free-air CO2 enrichment experiments: Model performance at ambient CO2 concentration

Science.gov (United States)

Walker, Anthony P.; Hanson, Paul J.; De Kauwe, Martin G.; Medlyn, Belinda E.; Zaehle, Sönke; Asao, Shinichi; Dietze, Michael; Hickler, Thomas; Huntingford, Chris; Iversen, Colleen M.; Jain, Atul; Lomas, Mark; Luo, Yiqi; McCarthy, Heather; Parton, William J.; Prentice, I. Colin; Thornton, Peter E.; Wang, Shusen; Wang, Ying-Ping; Warlind, David; Weng, Ensheng; Warren, Jeffrey M.; Woodward, F. Ian; Oren, Ram; Norby, Richard J.

2014-05-01

Free-air CO2 enrichment (FACE) experiments provide a remarkable wealth of data which can be used to evaluate and improve terrestrial ecosystem models (TEMs). In the FACE model-data synthesis project, 11 TEMs were applied to two decadelong FACE experiments in temperate forests of the southeastern U.S.—the evergreen Duke Forest and the deciduous Oak Ridge Forest. In this baseline paper, we demonstrate our approach to model-data synthesis by evaluating the models' ability to reproduce observed net primary productivity (NPP), transpiration, and leaf area index (LAI) in ambient CO2 treatments. Model outputs were compared against observations using a range of goodness-of-fit statistics. Many models simulated annual NPP and transpiration within observed uncertainty. We demonstrate, however, that high goodness-of-fit values do not necessarily indicate a successful model, because simulation accuracy may be achieved through compensating biases in component variables. For example, transpiration accuracy was sometimes achieved with compensating biases in leaf area index and transpiration per unit leaf area. Our approach to model-data synthesis therefore goes beyond goodness-of-fit to investigate the success of alternative representations of component processes. Here we demonstrate this approach by comparing competing model hypotheses determining peak LAI. Of three alternative hypotheses—(1) optimization to maximize carbon export, (2) increasing specific leaf area with canopy depth, and (3) the pipe model—the pipe model produced peak LAI closest to the observations. This example illustrates how data sets from intensive field experiments such as FACE can be used to reduce model uncertainty despite compensating biases by evaluating individual model assumptions.

Correlation of Amine Swingbed On-Orbit CO2 Performance with a Hardware Independent Predictive Model

Science.gov (United States)

Papale, William; Sweterlitsch, Jeffery

2015-01-01

The Amine Swingbed Payload is an experimental system deployed on the International Space Station (ISS) that includes a two-bed, vacuum regenerated, amine-based carbon dioxide (CO2) removal subsystem as the principal item under investigation. The aminebased subsystem, also described previously in various publications as CAMRAS 3, was originally designed, fabricated and tested by Hamilton Sundstrand Space Systems International, Inc. (HSSSI) and delivered to NASA in November 2008. The CAMRAS 3 unit was subsequently designed into a flight payload experiment in 2010 and 2011, with flight test integration activities accomplished on-orbit between January 2012 and March 2013. Payload activation was accomplished in May 2013 followed by a 1000 hour experimental period. The experimental nature of the Payload and the interaction with the dynamic ISS environment present unique scientific and engineering challenges, in particular to the verification and validation of the expected Payload CO2 removal performance. A modeling and simulation approach that incorporates principles of chemical reaction engineering has been developed for the amine-based system to predict the dynamic cabin CO2 partial pressure with given inputs of sorbent bed size, process air flow, operating temperature, half-cycle time, CO2 generation rate, cabin volume and the magnitude of vacuum available. Simulation runs using the model to predict ambient CO2 concentrations show good correlation to on-orbit performance measurements and ISS dynamic concentrations for the assumed operating conditions. The dynamic predictive modelling could benefit operational planning to help ensure ISS CO2 concentrations are maintained below prescribed limits and for the Orion vehicle to simulate various operating conditions, scenarios and transients.

Evaluating the Capacity of Global CO2 Flux and Atmospheric Transport Models to Incorporate New Satellite Observations

Science.gov (United States)

Kawa, S. R.; Collatz, G. J.; Erickson, D. J.; Denning, A. S.; Wofsy, S. C.; Andrews, A. E.

2007-01-01

As we enter the new era of satellite remote sensing for CO2 and other carbon cyclerelated quantities, advanced modeling and analysis capabilities are required to fully capitalize on the new observations. Model estimates of CO2 surface flux and atmospheric transport are required for initial constraints on inverse analyses, to connect atmospheric observations to the location of surface sources and sinks, and ultimately for future projections of carbon-climate interactions. For application to current, planned, and future remotely sensed CO2 data, it is desirable that these models are accurate and unbiased at time scales from less than daily to multi-annual and at spatial scales from several kilometers or finer to global. Here we focus on simulated CO2 fluxes from terrestrial vegetation and atmospheric transport mutually constrained by analyzed meteorological fields from the Goddard Modeling and Assimilation Office for the period 1998 through 2006. Use of assimilated meteorological data enables direct model comparison to observations across a wide range of scales of variability. The biospheric fluxes are produced by the CASA model at lxi degrees on a monthly mean basis, modulated hourly with analyzed temperature and sunlight. Both physiological and biomass burning fluxes are derived using satellite observations of vegetation, burned area (as in GFED-2), and analyzed meteorology. For the purposes of comparison to CO2 data, fossil fuel and ocean fluxes are also included in the transport simulations. In this presentation we evaluate the model's ability to simulate CO2 flux and mixing ratio variability in comparison to in situ observations at sites in Northern mid latitudes and the continental tropics. The influence of key process representations is inferred. We find that the model can resolve much of the hourly to synoptic variability in the observations, although there are limits imposed by vertical resolution of boundary layer processes. The seasonal cycle and its

Modeling of intensity-modulated continuous-wave laser absorption spectrometer systems for atmospheric CO(2) column measurements.

Science.gov (United States)

Lin, Bing; Ismail, Syed; Wallace Harrison, F; Browell, Edward V; Nehrir, Amin R; Dobler, Jeremy; Moore, Berrien; Refaat, Tamer; Kooi, Susan A

2013-10-10

The focus of this study is to model and validate the performance of intensity-modulated continuous-wave (IM-CW) CO(2) laser absorption spectrometer (LAS) systems and their CO(2) column measurements from airborne and satellite platforms. The model accounts for all fundamental physics of the instruments and their related CO(2) measurement environments, and the modeling results are presented statistically from simulation ensembles that include noise sources and uncertainties related to the LAS instruments and the measurement environments. The characteristics of simulated LAS systems are based on existing technologies and their implementation in existing systems. The modeled instruments are specifically assumed to be IM-CW LAS systems such as the Exelis' airborne multifunctional fiber laser lidar (MFLL) operating in the 1.57 μm CO(2) absorption band. Atmospheric effects due to variations in CO(2), solar radiation, and thin clouds, are also included in the model. Model results are shown to agree well with LAS atmospheric CO(2) measurement performance. For example, the relative bias errors of both MFLL simulated and measured CO(2) differential optical depths were found to agree to within a few tenths of a percent when compared to the in situ observations from the flight of 3 August 2011 over Railroad Valley (RRV), Nevada, during the summer 2011 flight campaign. In addition, the horizontal variations in the model CO(2) differential optical depths were also found to be consistent with those from MFLL measurements. In general, the modeled and measured signal-to-noise ratios (SNRs) of the CO(2) column differential optical depths (τd) agreed to within about 30%. Model simulations of a spaceborne IM-CW LAS system in a 390 km dawn/dusk orbit for CO(2) column measurements showed that with a total of 42 W of transmitted power for one offline and two different sideline channels (placed at different locations on the side of the CO(2) absorption line), the accuracy of the �

Enhancement of farmland greenhouse gas emissions from leakage of stored CO{sub 2}: Simulation of leaked CO{sub 2} from CCS

Energy Technology Data Exchange (ETDEWEB)

Zhang, Xueyan [Chinese Academy of Meteorological Sciences, Beijing 100-081 (China); Ma, Xin, E-mail: max@ami.ac.cn [Institute of Environment and Sustainable Development in Agriculture, Chinese Academy of Agricultural Sciences, Beijing (China); Laboratory of Agricultural Environment and Climate Change, Ministry of Agriculture, Beijing 100-081 (China); Wu, Yang [Engineering Consulting Centre, China Meteorological Administration, Beijing 100-081 (China); Li, Yue [Institute of Environment and Sustainable Development in Agriculture, Chinese Academy of Agricultural Sciences, Beijing (China); Laboratory of Agricultural Environment and Climate Change, Ministry of Agriculture, Beijing 100-081 (China)

2015-06-15

The effects of leaked CO{sub 2} on plant and soil constitute a key objective of carbon capture and storage (CCS) safety. The effects of leaked CO{sub 2} on trace soil gas (e.g., methane (CH{sub 4}) and nitrous oxide (N{sub 2}O) emissions in farmlands are not well-understood. This study simulated the effects of elevated soil CO{sub 2} on CH{sub 4} and N{sub 2}O through pot experiments. The results revealed that significant increases of CH{sub 4} and N{sub 2}O emissions were induced by the simulated CO{sub 2} leakages; the emission rates of CH{sub 4} and N{sub 2}O were substantial, reaching about 222 and 48 times than that of the control, respectively. The absolute global warming potentials (GWPs) of the additional CH{sub 4} and N{sub 2}O are considerable, but the cumulative GWPs of the additional CH{sub 4} and N{sub 2}O only accounted for 0.03% and 0.06%, respectively, of the cumulative amount of leaked CO{sub 2} under high leakage conditions. The results demonstrate that leakage from CCS projects may lead to additional greenhouse gas emissions from soil; however, in general, the amount of additional CH{sub 4} and N{sub 2}O emissions is negligible when compared with the amount of leaked CO{sub 2}. - Highlights: • Relationship between CO{sub 2} leakage and CH{sub 4} and N{sub 2}O emissions was examined. • Geologically stored CO{sub 2} leaking into surface soil enhances CH{sub 4} and N{sub 2}O emissions. • GWP of additional CH{sub 4} and N{sub 2}O is negligible compared with amount of leaked CO{sub 2}. • Significant increase of CH{sub 4} and N{sub 2}O emissions from soil could indicate CCS leakage.

Experimental versus modelled water use in mature Norway spruce (Picea abies exposed to elevated CO2

Directory of Open Access Journals (Sweden)

Sebastian eLeuzinger

2012-10-01

Full Text Available Rising levels of atmospheric CO2 have often been reported to reduce plant water use. Such behaviour is also predicted by standard equations relating photosynthesis, stomatal conductance, and atmospheric CO2 concentration, which form the core of global dynamic vegetation models (DGVMs. Here, we provide first results from a free air CO2 enrichment (FACE experiment with naturally growing, mature (35 m Picea abies (L. (Norway spruce and compare them to simulations by the DGVM LPJ-GUESS. We monitored sap flow, stem water deficit, stomatal conductance, leaf water potential and soil moisture in five 35-40 m tall CO2-treated (550 ppm trees over two seasons. Using LPJ-GUESS, we simulated this experiment using climate data from a nearby weather station. While the model predicted a stable reduction of transpiration of between 9 and 18 % (at concentrations of 550-700ppm atmospheric CO2, the combined evidence from various methods characterising water use in our experimental trees suggest no changes in response to future CO2 concentrations. The discrepancy between the modelled and the experimental results may be a scaling issue: while dynamic vegetation models correctly predict leaf-level responses, they may not sufficiently account for the processes involved at the canopy and ecosystem scale, which could mitigate the first-order stomatal response.

Ecosystem service impacts of future changes in CO2, climate, and land use as simulated by a coupled vegetation/land-use model system

Science.gov (United States)

Rabin, S. S.; Alexander, P.; Henry, R.; Anthoni, P.; Pugh, T.; Rounsevell, M.; Arneth, A.

2017-12-01

In a future of increasing atmospheric carbon dioxide (CO2) concentrations, changing climate, increasing human populations, and changing socioeconomic dynamics, the global agricultural system will need to adapt in order to feed the world. Global modeling can help to explore what these adaptations will look like, and their potential impacts on ecosystem services. To do so, however, the complex interconnections among the atmosphere, terrestrial ecosystems, and society mean that these various parts of the Earth system must be examined as an interconnected whole. With the goal of answering these questions, a model system has been developed that couples a biologically-representative global vegetation model, LPJ-GUESS, with the PLUMv2 land use model. LPJ-GUESS first simulates—at 0.5º resolution across the world—the potential yield of various crops and pasture under a range of management intensities for a time step given its atmospheric CO2 level and climatic forcings. These potential yield simulations are fed into PLUMv2, which uses them in conjunction with endogenous agricultural commodity demand and prices to produce land use and management inputs (fertilizer and irrigation water) at a sub-national level for the next time step. This process is performed through 2100 for a range of future climate and societal scenarios—the Representative Concentration Pathways (RCPs) and the Shared Socioeconomic Pathways (SSPs), respectively—providing a thorough exploration of possible trajectories of land use and land cover change. The land use projections produced by PLUMv2 are fed back into LPJ-GUESS to simulate the future impacts of land use change, along with increasing CO2 and climate change, on terrestrial ecosystems. This integrated analysis examines the resulting impacts on regulating and provisioning ecosystem services affecting biophysics (albedo); carbon, nitrogen, and water cycling; and the emission of biogenic volatile organic compounds (BVOCs).

A terrestrial biosphere model optimized to atmospheric CO2 concentration and above ground woody biomass

Science.gov (United States)

Saito, M.; Ito, A.; Maksyutov, S. S.

2013-12-01

This study documents an optimization of a prognostic biosphere model (VISIT; Vegetation Integrative Similator for Trace gases) to observations of atmospheric CO2 concentration and above ground woody biomass by using a Bayesian inversion method combined with an atmospheric tracer transport model (NIES-TM; National Institute for Environmental Studies / Frontier Research Center for Global Change (NIES/FRCGC) off-line global atmospheric tracer transport model). The assimilated observations include 74 station records of surface atmospheric CO2 concentration and aggregated grid data sets of above ground woody biomass (AGB) and net primary productivity (NPP) over the globe. Both the biosphere model and the atmospheric transport model are used at a horizontal resolution of 2.5 deg x 2.5 deg grid with temporal resolutions of a day and an hour, respectively. The atmospheric transport model simulates atmospheric CO2 concentration with nine vertical levels using daily net ecosystem CO2 exchange rate (NEE) from the biosphere model, oceanic CO2 flux, and fossil fuel emission inventory. The models are driven by meteorological data from JRA-25 (Japanese 25-year ReAnalysis) and JCDAS (JMA Climate Data Assimilation System). Statistically optimum physiological parameters in the biosphere model are found by iterative minimization of the corresponding Bayesian cost function. We select thirteen physiological parameter with high sensitivity to NEE, NPP, and AGB for the minimization. Given the optimized physiological parameters, the model shows error reductions in seasonal variation of the CO2 concentrations especially in the northern hemisphere due to abundant observation stations, while errors remain at a few stations that are located in coastal coastal area and stations in the southern hemisphere. The model also produces moderate estimates of the mean magnitudes and probability distributions in AGB and NPP for each biome. However, the model fails in the simulation of the terrestrial

Reversibility in an Earth System model in response to CO2 concentration changes

International Nuclear Information System (INIS)

Boucher, O; Halloran, P R; Burke, E J; Doutriaux-Boucher, M; Jones, C D; Lowe, J; Ringer, M A; Robertson, E; Wu, P

2012-01-01

We use the HadGEM2-ES Earth System model to examine the degree of reversibility of a wide range of components of the Earth System under idealized climate change scenarios where the atmospheric CO 2 concentration is gradually increased to four times the pre-industrial level and then reduced at a similar rate from several points along this trajectory. While some modelled quantities respond almost immediately to the atmospheric CO 2 concentrations, others exhibit a time lag relative to the change in CO 2 . Most quantities also exhibit a lag relative to the global-mean surface temperature change, which can be described as a hysteresis behaviour. The most surprising responses are from low-level clouds and ocean stratification in the Southern Ocean, which both exhibit hysteresis on timescales longer than expected. We see no evidence of critical thresholds in these simulations, although some of the hysteresis phenomena become more apparent above 2 × CO 2 or 3 × CO 2 . Our findings have implications for the parametrization of climate impacts in integrated assessment and simple climate models and for future climate studies of geoengineering scenarios. (letter)

Preliminary reactive geochemical transport simulation study on CO2 geological sequestration at the Changhua Coastal Industrial Park Site, Taiwan

Science.gov (United States)

Sung, R.; Li, M.

2013-12-01

Mineral trapping by precipitated carbonate minerals is one of critical mechanisms for successful long-term geological sequestration (CGS) in deep saline aquifer. Aquifer acidification induced by the increase of carbonic acid (H2CO3) and bicarbonate ions (HCO3-) as the dissolution of injected CO2 may induce the dissolution of minerals and hinder the effectiveness of cap rock causing potential risk of CO2 leakage. Numerical assessments require capabilities to simulate complicated interactions of thermal, hydrological, geochemical multiphase processes. In this study, we utilized TOUGHREACT model to demonstrate a series of CGS simulations and assessments of (1) time evolution of aquifer responses, (2) migration distance and spatial distribution of CO2 plume, (3) effects of CO2-saline-mineral interactions, and (4) CO2 trapping components at the Changhua Costal Industrial Park (CCIP) Site, Taiwan. The CCIP Site is located at the Southern Taishi Basin with sloping and layered heterogeneous formations. At this preliminary phase, detailed information of mineralogical composition of reservoir formation and chemical composition of formation water are difficult to obtain. Mineralogical composition of sedimentary rocks and chemical compositions of formation water for CGS in deep saline aquifer from literatures (e.g. Xu et al., 2004; Marini, 2006) were adopted. CGS simulations were assumed with a constant CO2 injection rate of 1 Mt/yr at the first 50 years. Hydrogeological settings included porosities of 0.103 for shale, 0.141 for interbedding sandstone and shale, and 0.179 for sandstone; initial pore pressure distributions of 24.5 MPa to 28.7 MPa, an ambient temperature of 70°C, and 0.5 M of NaCl in aqueous solution. Mineral compositions were modified from Xu et al. (2006) to include calcite (1.9 vol. % of solid), quartz (57.9 %), kaolinite (2.0 %), illite (1.0 %), oligoclase (19.8 %), Na-smectite (3.9 %), K-feldspar (8.2 %), chlorite (4.6 %), and hematite (0.5 %) and were

Experimental observation and numerical simulation of permeability changes in dolomite at CO2 sequestration conditions

Science.gov (United States)

Tutolo, B. M.; Luhmann, A. J.; Kong, X.; Saar, M. O.; Seyfried, W. E.

2013-12-01

mineral, fluid, and aqueous species equations of state into its structure. Phase equilibria calculations indicate that fluids traveling away from the depressed temperature zone near the injection well may exsolve and precipitate up to 200 cc CO2, 1.45 cc dolomite, and 2.3 cc calcite, per kg, but we use the reactive transport simulator to place more realistic limits on these calculations. The simulations show that thermally-induced CO2 exsolution creates velocity gradients within the modeled domain, leading to increased velocities at lower pressure due to the increasingly gas-like density of CO2. Because dolomite precipitation kinetics strongly depend on temperature, modeled dolomite precipitation effectively concentrates within high temperature regions, while calcite precipitation is predicted to occur over a broader range. Additionally, because the molar volume of dolomite is almost double that of calcite, transporting a low temperature, dolomite-saturated fluid across a thermal gradient can lead to more substantial pore space clogging. We conclude that injecting cool CO2 into geothermally warm reservoirs may substantially alter formation porosity, permeability, and injectivity, and can result in favorable conditions for permanent storage of CO2 as a solid carbonate phase.

Surface energy balances of three general circulation models: Current climate and response to increasing atmospheric CO2

International Nuclear Information System (INIS)

Gutowski, W.J.; Gutzler, D.S.; Portman, D.; Wang, W.C.

1988-04-01

The surface energy balance simulated by state-of-the-art general circulation models at GFDL, GISS and NCAR for climates with current levels of atmospheric CO 2 concentration (control climate) and with twice the current levels. The work is part of an effort sponsored by the US Department of Energy to assess climate simulations produced by these models. The surface energy balance enables us to diagnose differences between models in surface temperature climatology and sensitivity to doubling CO 2 in terms of the processes that control surface temperature. Our analysis compares the simulated balances by averaging the fields of interest over a hierarchy of spatial domains ranging from the entire globe down to regions a few hundred kilometers across

TMAP-7 simulation of D{sub 2} thermal release data from Be co-deposited layers

Energy Technology Data Exchange (ETDEWEB)

Baldwin, M.J., E-mail: mbaldwin@ferp.ucsd.edu [Center for Energy Research, University of California at San Diego, La Jolla, CA 92093-0417 (United States); Schwarz-Selinger, T. [Max-Planck-Institut für Plasmaphysik, EURATOM Association, Boltzmannstrasse 2, 85748 Garching (Germany); Yu, J.H. [Center for Energy Research, University of California at San Diego, La Jolla, CA 92093-0417 (United States); Doerner, R.P., E-mail: rdoerner@ucsd.edu [Center for Energy Research, University of California at San Diego, La Jolla, CA 92093-0417 (United States)

2013-07-15

The efficacy of (1) bake-out at 513 K and 623 K, and (2) thermal transient (10 ms) loading to up to 1000 K, is explored for reducing D inventory in 1 μm thick Be–D (D/Be ∼0.1) co-deposited layers formed at 323 K for experiment (1) and ∼500 K for experiment (2). D release data from co-deposits are obtained by thermal desorption and used to validate a model input into the Tritium Migration and Analysis Program 7 (TMAP). In (1), good agreement with experiment is found for a TMAP model encorporating traps of activation energies, 0.80 eV and 0.98 eV, whereas an additional 2 eV trap was required to model experiment (2). Thermal release is found to be trap limited, but simulations are optimal when surface recombination is taken into account. Results suggest that thick built-up co-deposited layers will hinder ITER inventory control, and that bake periods (∼1 day) will be more effective in inventory reduction than transient thermal loading.

Reservoir simulation with the cubic plus (cross-) association equation of state for water, CO2, hydrocarbons, and tracers

Science.gov (United States)

Moortgat, Joachim

2018-04-01

This work presents an efficient reservoir simulation framework for multicomponent, multiphase, compressible flow, based on the cubic-plus-association (CPA) equation of state (EOS). CPA is an accurate EOS for mixtures that contain non-polar hydrocarbons, self-associating polar water, and cross-associating molecules like methane, ethane, unsaturated hydrocarbons, CO2, and H2S. While CPA is accurate, its mathematical formulation is highly non-linear, resulting in excessive computational costs that have made the EOS unfeasible for large scale reservoir simulations. This work presents algorithms that overcome these bottlenecks and achieve an efficiency comparable to the much simpler cubic EOS approach. The main applications that require such accurate phase behavior modeling are 1) the study of methane leakage from high-pressure production wells and its potential impact on groundwater resources, 2) modeling of geological CO2 sequestration in brine aquifers when one is interested in more than the CO2 and H2O components, e.g. methane, other light hydrocarbons, and various tracers, and 3) enhanced oil recovery by CO2 injection in reservoirs that have previously been waterflooded or contain connate water. We present numerical examples of all those scenarios, extensive validation of the CPA EOS with experimental data, and analyses of the efficiency of our proposed numerical schemes. The accuracy, efficiency, and robustness of the presented phase split computations pave the way to more widespread adoption of CPA in reservoir simulators.

The Role of Sea Ice in 2 x CO2 Climate Model Sensitivity. Part 2; Hemispheric Dependencies

Science.gov (United States)

Rind, D.; Healy, R.; Parkinson, C.; Martinson, D.

1997-01-01

How sensitive are doubled CO2 simulations to GCM control-run sea ice thickness and extent? This issue is examined in a series of 10 control-run simulations with different sea ice and corresponding doubled CO2 simulations. Results show that with increased control-run sea ice coverage in the Southern Hemisphere, temperature sensitivity with climate change is enhanced, while there is little effect on temperature sensitivity of (reasonable) variations in control-run sea ice thickness. In the Northern Hemisphere the situation is reversed: sea ice thickness is the key parameter, while (reasonable) variations in control-run sea ice coverage are of less importance. In both cases, the quantity of sea ice that can be removed in the warmer climate is the determining factor. Overall, the Southern Hemisphere sea ice coverage change had a larger impact on global temperature, because Northern Hemisphere sea ice was sufficiently thick to limit its response to doubled CO2, and sea ice changes generally occurred at higher latitudes, reducing the sea ice-albedo feedback. In both these experiments and earlier ones in which sea ice was not allowed to change, the model displayed a sensitivity of -0.02 C global warming per percent change in Southern Hemisphere sea ice coverage.

A numerical evaluation of prediction accuracy of CO2 absorber model for various reaction rate coefficients

Directory of Open Access Journals (Sweden)

Shim S.M.

2012-01-01

Full Text Available The performance of the CO2 absorber column using mono-ethanolamine (MEA solution as chemical solvent are predicted by a One-Dimensional (1-D rate based model in the present study. 1-D Mass and heat balance equations of vapor and liquid phase are coupled with interfacial mass transfer model and vapor-liquid equilibrium model. The two-film theory is used to estimate the mass transfer between the vapor and liquid film. Chemical reactions in MEA-CO2-H2O system are considered to predict the equilibrium pressure of CO2 in the MEA solution. The mathematical and reaction kinetics models used in this work are calculated by using in-house code. The numerical results are validated in the comparison of simulation results with experimental and simulation data given in the literature. The performance of CO2 absorber column is evaluated by the 1-D rate based model using various reaction rate coefficients suggested by various researchers. When the rate of liquid to gas mass flow rate is about 8.3, 6.6, 4.5 and 3.1, the error of CO2 loading and the CO2 removal efficiency using the reaction rate coefficients of Aboudheir et al. is within about 4.9 % and 5.2 %, respectively. Therefore, the reaction rate coefficient suggested by Aboudheir et al. among the various reaction rate coefficients used in this study is appropriate to predict the performance of CO2 absorber column using MEA solution. [Acknowledgement. This research was supported by the Basic Science Research Program through the National Research Foundation of Korea (NRF, funded by the Ministry of Education, Science and Technology (2011-0017220].

Metal release from sandstones under experimentally and numerically simulated CO2 leakage conditions.

Science.gov (United States)

Kirsch, Katie; Navarre-Sitchler, Alexis K; Wunsch, Assaf; McCray, John E

2014-01-01

Leakage of CO2 from a deep storage formation into an overlying potable aquifer may adversely impact water quality and human health. Understanding CO2-water-rock interactions is therefore an important step toward the safe implementation of geologic carbon sequestration. This study targeted the geochemical response of siliclastic rock, specifically three sandstones of the Mesaverde Group in northwestern Colorado. To test the hypothesis that carbonate minerals, even when present in very low levels, would be the primary source of metals released into a CO2-impacted aquifer, two batch experiments were conducted. Samples were reacted for 27 days with water and CO2 at partial pressures of 0.01 and 1 bar, representing natural background levels and levels expected in an aquifer impacted by a small leakage, respectively. Concentrations of major (e.g., Ca, Mg) and trace (e.g., As, Ba, Cd, Fe, Mn, Pb, Sr, U) elements increased rapidly after CO2 was introduced into the system, but did not exceed primary Maximum Contaminant Levels set by the U.S. Environmental Protection Agency. Results of sequential extraction suggest that carbonate minerals, although volumetrically insignificant in the sandstone samples, are the dominant source of mobile metals. This interpretation is supported by a simple geochemical model, which could simulate observed changes in fluid composition through CO2-induced calcite and dolomite dissolution.

A model analysis of climate and CO2 controls on tree growth in a semi-arid woodland

Science.gov (United States)

Li, G.; Harrison, S. P.; Prentice, I. C.

2015-03-01

We used a light-use efficiency model of photosynthesis coupled with a dynamic carbon allocation and tree-growth model to simulate annual growth of the gymnosperm Callitris columellaris in the semi-arid Great Western Woodlands, Western Australia, over the past 100 years. Parameter values were derived from independent observations except for sapwood specific respiration rate, fine-root turnover time, fine-root specific respiration rate and the ratio of fine-root mass to foliage area, which were estimated by Bayesian optimization. The model reproduced the general pattern of interannual variability in radial growth (tree-ring width), including the response to the shift in precipitation regimes that occurred in the 1960s. Simulated and observed responses to climate were consistent. Both showed a significant positive response of tree-ring width to total photosynthetically active radiation received and to the ratio of modeled actual to equilibrium evapotranspiration, and a significant negative response to vapour pressure deficit. However, the simulations showed an enhancement of radial growth in response to increasing atmospheric CO2 concentration (ppm) ([CO2]) during recent decades that is not present in the observations. The discrepancy disappeared when the model was recalibrated on successive 30-year windows. Then the ratio of fine-root mass to foliage area increases by 14% (from 0.127 to 0.144 kg C m-2) as [CO2] increased while the other three estimated parameters remained constant. The absence of a signal of increasing [CO2] has been noted in many tree-ring records, despite the enhancement of photosynthetic rates and water-use efficiency resulting from increasing [CO2]. Our simulations suggest that this behaviour could be explained as a consequence of a shift towards below-ground carbon allocation.

The role of ocean transport in the uptake of anthropogenic CO2

Directory of Open Access Journals (Sweden)

I. Totterdell

2009-03-01

Full Text Available We compare modeled oceanic carbon uptake in response to pulse CO2 emissions using a suite of global ocean models and Earth system models. In response to a CO2 pulse emission of 590 Pg C (corresponding to an instantaneous doubling of atmospheric CO2 from 278 to 556 ppm, the fraction of CO2 emitted that is absorbed by the ocean is: 37±8%, 56±10%, and 81±4% (model mean ±2σ in year 30, 100, and 1000 after the emission pulse, respectively. Modeled oceanic uptake of pulse CO2 on timescales from decades to about a century is strongly correlated with simulated present-day uptake of chlorofluorocarbons (CFCs and CO2 across all models, while the amount of pulse CO2 absorbed by the ocean from a century to a millennium is strongly correlated with modeled radiocarbon in the deep Southern and Pacific Ocean. However, restricting the analysis to models that are capable of reproducing observations within uncertainty, the correlation is generally much weaker. The rates of surface-to-deep ocean transport are determined for individual models from the instantaneous doubling CO2 simulations, and they are used to calculate oceanic CO2 uptake in response to pulse CO2 emissions of different sizes pulses of 1000 and 5000 Pg C. These results are compared with simulated oceanic uptake of CO2 by a number of models simulations with the coupling of climate-ocean carbon cycle and without it. This comparison demonstrates that the impact of different ocean transport rates across models on oceanic uptake of anthropogenic CO2 is of similar magnitude as that of climate-carbon cycle feedbacks in a single model, emphasizing the important role of ocean transport in the uptake of anthropogenic CO2.

Testing simulations of intra- and inter-annual variation in the plant production response to elevated CO(2) against measurements from an 11-year FACE experiment on grazed pasture.

Science.gov (United States)

Li, Frank Yonghong; Newton, Paul C D; Lieffering, Mark

2014-01-01

Ecosystem models play a crucial role in understanding and evaluating the combined impacts of rising atmospheric CO2 concentration and changing climate on terrestrial ecosystems. However, we are not aware of any studies where the capacity of models to simulate intra- and inter-annual variation in responses to elevated CO2 has been tested against long-term experimental data. Here we tested how well the ecosystem model APSIM/AgPasture was able to simulate the results from a free air carbon dioxide enrichment (FACE) experiment on grazed pasture. At this FACE site, during 11 years of CO2 enrichment, a wide range in annual plant production response to CO2 (-6 to +28%) was observed. As well as running the full model, which includes three plant CO2 response functions (plant photosynthesis, nitrogen (N) demand and stomatal conductance), we also tested the influence of these three functions on model predictions. Model/data comparisons showed that: (i) overall the model over-predicted the mean annual plant production response to CO2 (18.5% cf 13.1%) largely because years with small or negative responses to CO2 were not well simulated; (ii) in general seasonal and inter-annual variation in plant production responses to elevated CO2 were well represented by the model; (iii) the observed CO2 enhancement in overall mean legume content was well simulated but year-to-year variation in legume content was poorly captured by the model; (iv) the best fit of the model to the data required all three CO2 response functions to be invoked; (v) using actual legume content and reduced N fixation rate under elevated CO2 in the model provided the best fit to the experimental data. We conclude that in temperate grasslands the N dynamics (particularly the legume content and N fixation activity) play a critical role in pasture production responses to elevated CO2 , and are processes for model improvement. © 2013 John Wiley & Sons Ltd.

Thermodynamic Data for Geochemical Modeling of Carbonate Reactions Associated with CO2 Sequestration – Literature Review

Energy Technology Data Exchange (ETDEWEB)

Krupka, Kenneth M. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Cantrell, Kirk J. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); McGrail, B. Peter [Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

2010-09-01

Permanent storage of anthropogenic CO2 in deep geologic formations is being considered as a means to reduce the concentration of atmospheric CO2 and thus its contribution to global climate change. To ensure safe and effective geologic sequestration, numerous studies have been completed of the extent to which the CO2 migrates within geologic formations and what physical and geochemical changes occur in these formations when CO2 is injected. Sophisticated, computerized reservoir simulations are used as part of field site and laboratory CO2 sequestration studies. These simulations use coupled multiphase flow-reactive chemical transport models and/or standalone (i.e., no coupled fluid transport) geochemical models to calculate gas solubility, aqueous complexation, reduction/oxidation (redox), and/or mineral solubility reactions related to CO2 injection and sequestration. Thermodynamic data are critical inputs to modeling geochemical processes. The adequacy of thermodynamic data for carbonate compounds has been identified as an important data requirement for the successful application of these geochemical reaction models to CO2 sequestration. A review of thermodynamic data for CO2 gas and carbonate aqueous species and minerals present in published data compilations and databases used in geochemical reaction models was therefore completed. Published studies that describe mineralogical analyses from CO2 sequestration field and natural analogue sites and laboratory studies were also reviewed to identify specific carbonate minerals that are important to CO2 sequestration reactions and therefore require thermodynamic data. The results of the literature review indicated that an extensive thermodynamic database exists for CO2 and CH4 gases, carbonate aqueous species, and carbonate minerals. Values of ΔfG298° and/or log Kr,298° are available for essentially all of these compounds. However, log Kr,T° or heat capacity values at temperatures above 298 K exist for less than

Methane and CO2 Adsorption and Transport in Carbon-based Systems from Experiments and Molecular Simulation

Science.gov (United States)

Wilcox, Jennifer; Firouzi, Mahnaz; Rupp, Erik; Haghapanah, Reza; Wang, Beibei

2013-04-01

Carbon capture and sequestration is one strategy that could potentially mitigate gigatons of CO2 emissions per year; however, technical obstacles have thus far hindered wide-scale deployment of this strategy. To design efficient and reliable strategies for either carbon capture or sequestration at the full-scale, one needs to understand the chemical and physical properties of CO2 and its interaction with its local surroundings at the molecular-scale. To investigate the chemical and physical properties of CO2 and its local surroundings at the molecular-scale, surface characterization studies are carried out alongside theoretical model efforts. Experimental investigation of CO2 interactions with organic-based porous materials ranging in complexity from functionalized graphene and activated carbon to various-rank coal and gas shale samples to create a set of realistic models that take into account both surface and pore heterogeneity. Integration of theory and experiments takes place to allow for the relevant physics at the molecular-level to be revealed. Determining adsorption and transport phenomena of CO2 (and mixtures, including H2O, and CH4) within the model pore systems can be used to understand the complex pore matrices of carbon-based sorbents, coal, and the organic components of gas shale that are crucial to determining their carbon capture or sequestration potential. Non-equilibrium molecular dynamics (NEMD) simulations of pure carbon dioxide, methane, helium and their mixtures have been carried out in carbon slit pores to investigate gas slippage and Klinkenberg effects in the organic matrices of coal and gas shale rocks. NEMD techniques are ideally suited for the experimental situation in which an external driving force, such as a chemical potential or pressure gradient, are applied on the system. Simulations have been conducted to determine the effect of pore size and exposure to an external potential on the velocity profile and slip-stick boundary

Investigation of CO, C2H6 and aerosols over Eastern Canada during BORTAS 2011 using ground-based and satellite-based observations and model simulations

Science.gov (United States)

Griffin, Debora; Franklin, Jonathan; Parrington, Mark; Whaley, Cynthia; Hopper, Jason; Lesins, Glen; Tereszchuk, Keith; Walker, Kaley A.; Drummond, James R.; Palmer, Paul; Strong, Kimberly; Duck, Thomas J.; Abboud, Ihab; Dan, Lin; O'Neill, Norm; Clerbaux, Cathy; Coheur, Pierre; Bernath, Peter F.; Hyer, Edward; Kliever, Jenny

2013-04-01

the magnitude of the enhancement of the total columns of CO between the measured and modelled results; however, a small shift in time of approximately 6 h of the arrival of the plume over Halifax is apparent between the results. The modeled C2H6 columns are systematically lower than the observations from the ground-based FTSs. It is possible that this difference between the model output and observations is due to the extra-tropical (rather than specific boreal) fire emission ratio used in the GEOS-Chem simulation, which seems to underestimate the C2H6 emission, derived from the presented ground-based observations. This suggests that a finer categorization of extra-tropical biomass burning is necessary and should be considered in future model simulations.

Data and modelling requirements for CO2 inversions using high-frequency data

International Nuclear Information System (INIS)

Law, R.M.; Rayner, P.J.; Steele, L.P.; Enting, I.G.

2003-01-01

We explore the future possibilities for CO 2 source estimation from atmospheric concentration data by performing synthetic data experiments. Synthetic data are used to test seasonal CO 2 inversions using high-frequency data. Monthly CO 2 sources over the Australian region are calculated for inversions with data at 4-hourly frequency and averaged over 1 d, 2.5 d, 5 d, 12.17 d and 1 month. The inversion quality, as determined by bias and uncertainty, is degraded when averaging over longer periods. This shows the value of the strong but relatively short-lived signals present in high-frequency records that are removed in averaged and particularly filtered records. Sensitivity tests are performed in which the synthetic data are 'corrupted' to simulate systematic measurement errors such as intercalibration differences or to simulate transport modelling errors. The inversion is also used to estimate the effect of calibration offsets between sites. We find that at short data-averaging periods the inversion is reasonably robust to measurement-type errors. For transport-type errors, the best results are achieved for synoptic (2-5 d) timescales. Overall the tests indicate that improved source estimates should be possible by incorporating continuous measurements into CO 2 inversions

Results from a 2 x CO2 simulation with the Canadian Climate Centre general circulation model

International Nuclear Information System (INIS)

Boer, G.J.

1990-01-01

The Canadian Climate Centre's general circulation model (GCM), GCMII, was used to simulate a doubling of atmospheric carbon dioxide concentration. The experiment was a standard greenhouse gas climate change study, using a three-dimensional atmospheric circulation model coupled to a simple 'slab' ocean and a thermodynamic ice model. This standard experiment retains the sophistication and generality of an atmospheric GCM, is straightforward in its use of simplified ocean and ice models, is comparatively economical of computer time, and permits comparison of results from different models. Features of the second generation GCMII include: higher resolution at T32L10 with a transform grid of 3.75 x 3.75 degree; full diurnal and annual cycles; ocean and sea ice treatment involving specification of ocean transports; modified treatment of land surface processes and hydrology; a parameterization of cloud optical feedback; and a retention of the special application data sets of surface parameters for North America and Europe. Results of the simulation were a globally averaged surface temperature increase of 3.5 degree C; a precipitation and evaporation increase of 3%; an average decrease in soil moisture of 6.6%; a decrease in cloud cover of 2.2%; a 66% decrease in mass of sea ice; and marked changes in other quantities in the polar region. 2 refs., 2 figs., 2 tabs

Thermodynamic modeling of NH_3-CO_2-SO_2-K_2SO_4-H_2O system for combined CO_2 and SO_2 capture using aqueous NH_3

International Nuclear Information System (INIS)

Qi, Guojie; Wang, Shujuan

2017-01-01

Highlights: • A new application of aqueous NH_3 based combined CO_2 and SO_2 process was proposed. • A thermodynamic model simulated the heat of absorption and the K_2SO_4 precipitation. • The CO_2 content can be regenerated in a stripper with lower heat of desorption. • The SO_2 content can be removed by K_2SO_4 precipitation from the lean NH_3 solvent. - Abstract: A new application of aqueous NH_3 based post-combustion CO_2 and SO_2 combined capture process was proposed to simultaneously capture CO_2 and SO_2, and remove sulfite by solid (K_2SO_4) precipitation method. The thermodynamic model of the NH_3-CO_2-SO_2-K_2SO_4-H_2O system for the combined CO_2 and SO_2 capture process was developed and validated in this work to analyze the heat of CO_2 and SO_2 absorption in the NH_3-CO_2-SO_2-H_2O system, and the K_2SO_4 precipitation characteristics in the NH_3-CO_2-SO_2-K_2SO_4-H_2O system. The average heat of CO_2 absorption in the NH_3-CO_2-H_2O system at 40 °C is around −73 kJ/mol CO_2 in 2.5 wt% NH_3 with CO_2 loading between 0.2 and 0.5 C/N. The average heat of SO_2 absorption in the NH_3-SO_2-H_2O system at 40 °C is around −120 kJ/mol SO_2 in 2.5 wt% NH_3 with SO_2 loading between 0 and 0.5 S/N. The average heat of CO_2 absorption in the NH_3-CO_2-SO_2-H_2O system at 40 °C is 77, 68, and 58 kJ/mol CO_2 in 2.5 wt% NH_3 with CO_2 loading between 0.2 and 0.5 C/N, when SO_2 loading is 0, 0.1, 0.2 S/N, respectively. The solubility of K_2SO_4 increases with temperature, CO_2 and SO_2 loadings, but decreases with NH_3 concentration in the CO_2 and SO_2 loaded aqueous NH_3. The thermodynamic evaluation indicates that the combined CO_2 and SO_2 capture process could employ the typical absorption/regeneration process to simultaneously capture CO_2 and SO_2 in an absorber, thermally desorb CO_2 in a stripper, and feasibly remove sulfite (oxidized to sulfate) content by precipitating K_2SO_4 from the lean NH_3 solvent after the lean/rich heat exchanger.

Modeling and simulation of an activated carbon–CO2 four bed based adsorption cooling system

International Nuclear Information System (INIS)

Jribi, Skander; Saha, Bidyut Baran; Koyama, Shigeru; Bentaher, Hatem

2014-01-01

Highlights: • A transient mathematical model of a 4-bed adsorption chiller is proposed. • The performances of the cyclic-steady-state system are presented for different heating and cooling water inlet temperatures. • The desorption pressure has a big influence in the performances. • With 80 kg of Maxsorb III, the CO 2 based adsorption chiller produces 2 kW of cooling power and presents a COP of 0.1. - Abstract: In this study, a transient mathematical model of a 4-bed adsorption chiller using Maxsorb III as the adsorbent and CO 2 as the refrigerant has been analyzed. The performances of the cyclic-steady-state system are presented for different heating and cooling water inlet temperatures. It is found that the desorption pressure has a big influence in the performances due to the low critical point of CO 2 (T c = 31 °C). With 80 kg of Maxsorb III, the CO 2 based adsorption chiller produces 2 kW of cooling power and presents a COP of 0.1, at driving heat source temperature of 95 °C along with a cooling temperature of 27 °C and at optimum desorption pressure of 79 bar. The present thermal compression air-conditioning system could be driven with solar energy or waste heat from internal combustion engines and therefore is suitable for both residential and mobile air-conditioning applications

LABORATORY EXPERIMENTS TO SIMULATE CO2 OCEAN DISPOSAL

Energy Technology Data Exchange (ETDEWEB)

Stephen M. Masutani

1999-12-31

This Final Technical Report summarizes the technical accomplishments of an investigation entitled ''Laboratory Experiments to Simulate CO{sub 2} Ocean Disposal'', funded by the U.S. Department of Energy's University Coal Research Program. This investigation responds to the possibility that restrictions on greenhouse gas emissions may be imposed in the future to comply with the Framework Convention on Climate Change. The primary objective of the investigation was to obtain experimental data that can be applied to assess the technical feasibility and environmental impacts of oceanic containment strategies to limit release of carbon dioxide (CO{sub 2}) from coal and other fossil fuel combustion systems into the atmosphere. A number of critical technical uncertainties of ocean disposal of CO{sub 2} were addressed by performing laboratory experiments on liquid CO{sub 2} jet break-up into a dispersed droplet phase, and hydrate formation, under deep ocean conditions. Major accomplishments of this study included: (1) five jet instability regimes were identified that occur in sequence as liquid CO{sub 2} jet disintegration progresses from laminar instability to turbulent atomization; (2) linear regression to the data yielded relationships for the boundaries between the five instability regimes in dimensionless Ohnesorge Number, Oh, and jet Reynolds Number, Re, space; (3) droplet size spectra was measured over the full range of instabilities; (4) characteristic droplet diameters decrease steadily with increasing jet velocity (and increasing Weber Number), attaining an asymptotic value in instability regime 5 (full atomization); and (5) pre-breakup hydrate formation appears to affect the size distribution of the droplet phase primary by changing the effective geometry of the jet.

Numerical Simulations for Enhanced Methane Recovery from Gas Hydrate Accumulations by Utilizing CO2 Sequestration

Science.gov (United States)

Sridhara, Prathyusha

In 2013, the International Energy Outlook (EIA, 2013) projected that global energy demand will grow by 56% between 2010 and 2040. Despite strong growth in renewable energy supplies, much of this growth is expected to be met by fossil fuels. Concerns ranging from greenhouse gas emissions and energy security are spawning new interests for other sources of energy including renewable and unconventional fossil fuel such as shale gas and oil as well as gas hydrates. The production methods as well as long-term reservoir behavior of gas hydrate deposits have been under extensive investigation. Reservoir simulators can be used to predict the production potentials of hydrate formations and to determine which technique results in enhanced gas recovery. In this work, a new simulation tool, Mix3HydrateResSim (Mix3HRS), which accounts for complex thermodynamics of multi-component hydrate phase comprised of varying hydrate solid crystal structure, is used to perform the CO2-assisted production technique simulations from CH4 hydrate accumulations. The simulator is one among very few reservoir simulators which can simulate the process of CH4 substitution by CO2 (and N2 ) in the hydrate lattice. Natural gas hydrate deposits around the globe are categorized into three different classes based on the characteristics of the geological sediments present in contact with the hydrate bearing deposits. Amongst these, the Class 2 hydrate accumulations predominantly confirmed in the permafrost and along seashore, are characterized by a mobile aqueous phase underneath a hydrate bearing sediment. The exploitation of such gas hydrate deposits results in release of large amounts of water due to the presence of permeable water-saturated sediments encompassing the hydrate deposits, thus lowering the produced gas rates. In this study, a suite of numerical simulation scenarios with varied complexity are considered which aimed at understanding the underlying changes in physical, thermodynamic and

Documentation and analysis of a global CO{sub 2} model developed by Peng et al. (1983)

Energy Technology Data Exchange (ETDEWEB)

Jager, H.I.; Peng, T.H.; King, A.W.; Sale, M.J.

1990-07-01

A global carbon model, the Peng `83 model, has been standardized according to protocols developed for an intermodel comparison. The first part of this document describes the model as they received it, and the second part describes a standardized version of the model, which has been parameterized according to the protocols described. Model performance was evaluated according to defined criteria and a sensitivity analysis of the model was conducted to identify the most important parameters. The standardized model was supplemented with a calibration routine to define reasonable combinations of initial conditions. This improved the ability of the model to hold an initial equilibrium state. Sensitivity analysis showed a shift in parameter importances with time. The initial conditions were of greatest importance for the length of these simulations, but declined in longer simulations. With the initial pCO{sub 2} excluded from the sensitivity analysis, ocean surface area (used to extrapolate results) was second in importance. While the CO{sub 2} exchange rate were initially most important, the model projections of atmospheric CO{sub 2} soon became more sensitive to the alkalinity of the ocean.

Global Monthly CO2 Flux Inversion Based on Results of Terrestrial Ecosystem Modeling

Science.gov (United States)

Deng, F.; Chen, J.; Peters, W.; Krol, M.

2008-12-01

Most of our understanding of the sources and sinks of atmospheric CO2 has come from inverse studies of atmospheric CO2 concentration measurements. However, the number of currently available observation stations and our ability to simulate the diurnal planetary boundary layer evolution over continental regions essentially limit the number of regions that can be reliably inverted globally, especially over continental areas. In order to overcome these restrictions, a nested inverse modeling system was developed based on the Bayesian principle for estimating carbon fluxes of 30 regions in North America and 20 regions for the rest of the globe. Inverse modeling was conducted in monthly steps using CO2 concentration measurements of 5 years (2000 - 2005) with the following two models: (a) An atmospheric transport model (TM5) is used to generate the transport matrix where the diurnal variation n of atmospheric CO2 concentration is considered to enhance the use of the afternoon-hour average CO2 concentration measurements over the continental sites. (b) A process-based terrestrial ecosystem model (BEPS) is used to produce hourly step carbon fluxes, which could minimize the limitation due to our inability to solve the inverse problem in a high resolution, as the background of our inversion. We will present our recent results achieved through a combination of the bottom-up modeling with BEPS and the top-down modeling based on TM5 driven by offline meteorological fields generated by the European Centre for Medium Range Weather Forecast (ECMFW).

Modelling the diurnal and seasonal dynamics of soil CO2 exchange in a semiarid ecosystem with high plant-interspace heterogeneity

Science.gov (United States)

Gong, Jinnan; Wang, Ben; Jia, Xin; Feng, Wei; Zha, Tianshan; Kellomäki, Seppo; Peltola, Heli

2018-01-01

We used process-based modelling to investigate the roles of carbon-flux (C-flux) components and plant-interspace heterogeneities in regulating soil CO2 exchanges (FS) in a dryland ecosystem with sparse vegetation. To simulate the diurnal and seasonal dynamics of FS, the modelling considered simultaneously the CO2 production, transport and surface exchanges (e.g. biocrust photosynthesis, respiration and photodegradation). The model was parameterized and validated with multivariate data measured during the years 2013-2014 in a semiarid shrubland ecosystem in Yanchi, northwestern China. The model simulation showed that soil rewetting could enhance CO2 dissolution and delay the emission of CO2 produced from rooting zone. In addition, an ineligible fraction of respired CO2 might be removed from soil volumes under respiration chambers by lateral water flows and root uptakes. During rewetting, the lichen-crusted soil could shift temporally from net CO2 source to sink due to the activated photosynthesis of biocrust but the restricted CO2 emissions from subsoil. The presence of plant cover could decrease the root-zone CO2 production and biocrust C sequestration but increase the temperature sensitivities of these fluxes. On the other hand, the sensitivities of root-zone emissions to water content were lower under canopy, which may be due to the advection of water flows from the interspace to canopy. To conclude, the complexity and plant-interspace heterogeneities of soil C processes should be carefully considered to extrapolate findings from chamber to ecosystem scales and to predict the ecosystem responses to climate change and extreme climatic events. Our model can serve as a useful tool to simulate the soil CO2 efflux dynamics in dryland ecosystems.

The seasonal cycle of pCO2 and CO2 fluxes in the Southern Ocean: diagnosing anomalies in CMIP5 Earth system models

Science.gov (United States)

Precious Mongwe, N.; Vichi, Marcello; Monteiro, Pedro M. S.

2018-05-01

The Southern Ocean forms an important component of the Earth system as a major sink of CO2 and heat. Recent studies based on the Coupled Model Intercomparison Project version 5 (CMIP5) Earth system models (ESMs) show that CMIP5 models disagree on the phasing of the seasonal cycle of the CO2 flux (FCO2) and compare poorly with available observation products for the Southern Ocean. Because the seasonal cycle is the dominant mode of CO2 variability in the Southern Ocean, its simulation is a rigorous test for models and their long-term projections. Here we examine the competing roles of temperature and dissolved inorganic carbon (DIC) as drivers of the seasonal cycle of pCO2 in the Southern Ocean to explain the mechanistic basis for the seasonal biases in CMIP5 models. We find that despite significant differences in the spatial characteristics of the mean annual fluxes, the intra-model homogeneity in the seasonal cycle of FCO2 is greater than observational products. FCO2 biases in CMIP5 models can be grouped into two main categories, i.e., group-SST and group-DIC. Group-SST models show an exaggeration of the seasonal rates of change of sea surface temperature (SST) in autumn and spring during the cooling and warming peaks. These higher-than-observed rates of change of SST tip the control of the seasonal cycle of pCO2 and FCO2 towards SST and result in a divergence between the observed and modeled seasonal cycles, particularly in the Sub-Antarctic Zone. While almost all analyzed models (9 out of 10) show these SST-driven biases, 3 out of 10 (namely NorESM1-ME, HadGEM-ES and MPI-ESM, collectively the group-DIC models) compensate for the solubility bias because of their overly exaggerated primary production, such that biologically driven DIC changes mainly regulate the seasonal cycle of FCO2.

Processes regulating pCO2 in the surface waters of the central eastern Gotland Sea: a model study

Directory of Open Access Journals (Sweden)

Bernd Schneider

2011-09-01

Full Text Available This work presents a one-dimensional simulation of the seasonal changes in CO2 partial pressure (pCO2. The results of the model were constrained using data from observations, which improved the model's ability to estimate nitrogen fixation in the central Baltic Sea and allowed the impact of nitrogen fixation on the ecological state of the Baltic Sea to be studied. The model used here is the public domain water-column model GOTM (General Ocean Turbulence Model, which in this study was coupled with a modifed Baltic Sea ecosystem model, ERGOM (The Baltic Sea Research Institute's ecosystem model. To estimate nitrogen fixation rates in the Gotland Sea, the ERGOM model was modified by including an additional cyanobacteria group able to fix nitrogen from March to June. Furthermore, the model was extended by a simple CO2 cycle. Variable C:P and N:P ratios, controlled by phosphate concentrations in ambient water, were used to represent cyanobacteria, detritus and sediment detritus. This approach improved the model's ability to reproduce sea-surface phosphate and pCO2 dynamics. The resulting nitrogen fixation rates in 2005 for the two simulations, with and without the additional cyanobacteria group, were 259 and 278 mmol N m-2 year-1respectively.

Modelling and numerical simulation of Supercritical CO2 debinding of Inconel 718 components elaborated by Metal Injection Molding

Directory of Open Access Journals (Sweden)

Aboubakry Agne

2017-10-01

Full Text Available A debinding step using the supercritical state of a fluid has been increasingly investigated for extracting organic binders from components obtained by metal-injection molding. It consists of placing the component in an enclosure subjected to pressure and temperatures higher than the critical point to perform polymer extraction of the Metal-injection molding (MIM component. It is an alternative to conventional solvent debinding. The topic of this study is to model and simulate the supercritical debinding stage to elucidate the mechanism of polymer degradation and stabilization with a three-dimensional model. Modelling this extraction process would optimize the process on an industrial scale. It can be physically described by Fick’s law of diffusion. The model’s main parameter is the diffusion coefficient, which is identified by using linear regression based on the least-squares method. In the model, an effective length scale is specially developed to take into account the diffusion in all directions. The tests were performed for extracting polyethylene glycol, an organic additive, using supercritical CO2 in injected components. The feedstock is composed of polypropylene, polyethylene glycol, and stearic-acid as binder mixed with Inconel 718 super-alloy powders. The identified parameters were used to calculate the diffusion coefficient and simulate the supercritical debinding step on the Comsol Multiphysics® finite-element software platform to predict the remaining binder. The obtained numerical simulation results are in good agreement with the experimental data. The proposed numerical simulations allow for the determination of the remaining polyethylene glycol (PEG binder distribution with respect to processing parameters for components during the supercritical debinding process at any time. Moreover, this approach can be used in other formulation, powder, and binder systems.

Numerical modeling of pore-scale phenomena during CO2 sequestration in oceanic sediments

International Nuclear Information System (INIS)

Kang, Qinjun; Tsimpanogiannis, Ioannis N.; Zhang, Dongxiao; Lichtner, Peter C.

2005-01-01

Direct disposal of liquid CO 2 on the ocean floor is one of the approaches considered for sequestering CO 2 in order to reduce its concentration in the atmosphere. At oceanic depths deeper than approximately 3000 m, liquid CO 2 density is higher than the density of seawater and CO 2 is expected to sink and form a pool at the ocean floor. In addition to chemical reactions between CO 2 and seawater to form hydrate, fluid displacement is also expected to occur within the ocean floor sediments. In this work, we consider two different numerical models for hydrate formation at the pore scale. The first model consists of the Lattice Boltzmann (LB) method applied to a single-phase supersaturated solution in a constructed porous medium. The second model is based on the Invasion Percolation (IP) in pore networks, applied to two-phase immiscible displacement of seawater by liquid CO 2 . The pore-scale results are upscaled to obtain constitutive relations for porosity, both transverse and for the entire domain, and for permeability. We examine deposition and displacement patterns, and changes in porosity and permeability due to hydrate formation, and how these properties depend on various parameters including a parametric study of the effect of hydrate formation kinetics. According to the simulations, the depth of CO 2 invasion in the sediments is controlled by changes in the pore-scale porosity close to the hydrate formation front. (author)

Simulation of Transcritical CO2 Refrigeration System with Booster Hot Gas Bypass in Tropical Climate

Science.gov (United States)

Santosa, I. D. M. C.; Sudirman; Waisnawa, IGNS; Sunu, PW; Temaja, IW

2018-01-01

A Simulation computer becomes significant important for performance analysis since there is high cost and time allocation to build an experimental rig, especially for CO2 refrigeration system. Besides, to modify the rig also need additional cos and time. One of computer program simulation that is very eligible to refrigeration system is Engineering Equation System (EES). In term of CO2 refrigeration system, environmental issues becomes priority on the refrigeration system development since the Carbon dioxide (CO2) is natural and clean refrigerant. This study aims is to analysis the EES simulation effectiveness to perform CO2 transcritical refrigeration system with booster hot gas bypass in high outdoor temperature. The research was carried out by theoretical study and numerical analysis of the refrigeration system using the EES program. Data input and simulation validation were obtained from experimental and secondary data. The result showed that the coefficient of performance (COP) decreased gradually with the outdoor temperature variation increasing. The results show the program can calculate the performance of the refrigeration system with quick running time and accurate. So, it will be significant important for the preliminary reference to improve the CO2 refrigeration system design for the hot climate temperature.

Geochemical modelling of CO2-water-rock interactions for carbon storage : data requirements and outputs

International Nuclear Information System (INIS)

Kirste, D.

2008-01-01

A geochemical model was used to predict the short-term and long-term behaviour of carbon dioxide (CO 2 ), formation water, and reservoir mineralogy at a carbon sequestration site. Data requirements for the geochemical model included detailed mineral petrography; formation water chemistry; thermodynamic and kinetic data for mineral phases; and rock and reservoir physical characteristics. The model was used to determine the types of outputs expected for potential CO 2 storage sites and natural analogues. Reaction path modelling was conducted to determine the total reactivity or CO 2 storage capability of the rock by applying static equilibrium and kinetic simulations. Potential product phases were identified using the modelling technique, which also enabled the identification of the chemical evolution of the system. Results of the modelling study demonstrated that changes in porosity and permeability over time should be considered during the site selection process.

Mathematical model of CO2 release during milk fermentation using natural kefir grains.

Science.gov (United States)

Goršek, Andreja; Ritonja, Jožef; Pečar, Darja

2018-03-12

Milk fermentation takes place in the presence of various micro-organisms, producing a variety of dairy products. The oldest of them is kefir, which is usually produced by the fermentation of milk with kefir grains. Carbon dioxide (CO 2 ), as one of the process products, also contributes to the characteristic flavor of kefir. The amount of CO 2 generated during fermentation depends on bioprocessing conditions and may change, which is not desirable at the industrial level. In this study we developed a simplified mathematical model of CO 2 release in the milk-fermentation process. An intuitive approach based on superposition and experimental analysis was used for the modeling. The chemical system studied was considered as a two-input (temperature, rotational frequency of the stirrer) one-output (CO 2 concentration) dynamic system. Based on an analysis of CO 2 release transients in the case of non-simultaneous stepwise changed input quantities, two differential equations were defined that describe the influence of the two input quantities on the output quantity. The simulation results were verified by experiments. The proposed model can be used for a comprehensive analysis of the process that is being studied and for the design and synthesis of advanced control systems, which will ensure a controlled CO 2 release at the industrial level. © 2018 Society of Chemical Industry. © 2018 Society of Chemical Industry.

Geochemical modelling of worst-case leakage scenarios at potential CO2-storage sites - CO2 and saline water contamination of drinking water aquifers

Science.gov (United States)

Szabó, Zsuzsanna; Edit Gál, Nóra; Kun, Éva; Szőcs, Teodóra; Falus, György

2017-04-01

Carbon Capture and Storage is a transitional technology to reduce greenhouse gas emissions and to mitigate climate change. Following the implementation and enforcement of the 2009/31/EC Directive in the Hungarian legislation, the Geological and Geophysical Institute of Hungary is required to evaluate the potential CO2 geological storage structures of the country. Basic assessment of these saline water formations has been already performed and the present goal is to extend the studies to the whole of the storage complex and consider the protection of fresh water aquifers of the neighbouring area even in unlikely scenarios when CO2 injection has a much more regional effect than planned. In this work, worst-case scenarios are modelled to understand the effects of CO2 or saline water leaks into drinking water aquifers. The dissolution of CO2 may significantly change the pH of fresh water which induces mineral dissolution and precipitation in the aquifer and therefore, changes in solution composition and even rock porosity. Mobilization of heavy metals may also be of concern. Brine migration from CO2 reservoir and replacement of fresh water in the shallower aquifer may happen due to pressure increase as a consequence of CO2 injection. The saline water causes changes in solution composition which may also induce mineral reactions. The modelling of the above scenarios has happened at several methodological levels such as equilibrium batch, kinetic batch and kinetic reactive transport simulations. All of these have been performed by PHREEQC using the PHREEQC.DAT thermodynamic database. Kinetic models use equations and kinetic rate parameters from the USGS report of Palandri and Kharaka (2004). Reactive transport modelling also considers estimated fluid flow and dispersivity of the studied formation. Further input parameters are the rock and the original ground water compositions of the aquifers and a range of gas-phase CO2 or brine replacement ratios. Worst-case scenarios

Advanced modeling and simulation of integrated gasification combined cycle power plants with CO2-capture

International Nuclear Information System (INIS)

Rieger, Mathias

2014-01-01

The objective of this thesis is to provide an extensive description of the correlations in some of the most crucial sub-processes for hard coal fired IGCC with carbon capture (CC-IGCC). For this purpose, process simulation models are developed for four industrial gasification processes, the CO-shift cycle, the acid gas removal unit, the sulfur recovery process, the gas turbine, the water-/steam cycle and the air separation unit (ASU). Process simulations clarify the influence of certain boundary conditions on plant operation, performance and economics. Based on that, a comparative benchmark of CC-IGCC concepts is conducted. Furthermore, the influence of integration between the gas turbine and the ASU is analyzed in detail. The generated findings are used to develop an advanced plant configuration with improved economics. Nevertheless, IGCC power plants with carbon capture are not found to be an economically efficient power generation technology at present day boundary conditions.

Transported PDF Modeling of Nonpremixed Turbulent CO/H-2/N-2 Jet Flames

Energy Technology Data Exchange (ETDEWEB)

Zhao, xinyu; Haworth, D. C.; Huckaby, E. David

2012-01-01

Turbulent CO/H{sub 2}/N{sub 2} (“syngas”) flames are simulated using a transported composition probability density function (PDF) method. A consistent hybrid Lagrangian particle/Eulerian mesh algorithm is used to solve the modeled PDF transport equation. The model includes standard k–ϵ turbulence, gradient transport for scalars, and Euclidean minimum spanning tree (EMST) mixing. Sensitivities of model results to variations in the turbulence model, the treatment of radiation heat transfer, the choice of chemical mechanism, and the PDF mixing model are explored. A baseline model reproduces the measured mean and rms temperature, major species, and minor species profiles reasonably well, and captures the scaling that is observed in the experiments. Both our results and the literature suggest that further improvements can be realized with adjustments in the turbulence model, the radiation heat transfer model, and the chemical mechanism. Although radiation effects are relatively small in these flames, consideration of radiation is important for accurate NO prediction. Chemical mechanisms that have been developed specifically for fuels with high concentrations of CO and H{sub 2} perform better than a methane mechanism that was not designed for this purpose. It is important to account explicitly for turbulence–chemistry interactions, although the details of the mixing model do not make a large difference in the results, within reasonable limits.

Simplified models of transport and reactions in conditions of CO2 storage in saline aquifers

Science.gov (United States)

Suchodolska, Katarzyna; Labus, Krzysztof

2016-04-01

Simple hydrogeochemical models may serve as tools of preliminary assessment of CO2 injection and sequestraton impact on the aquifer and cap-rocks. In order to create models of reaction and transport in conditions of CO2 injection and storage, the TOUGHREACT simulator, and the Geochemist's Workbench software were applied. The chemical composition of waters for kinetic transport models based on the water - rock equilibrium calculations. Analyses of reaction and transport of substances during CO2 injection and storage period were carried out in three scenarios: one-dimensional radial model, and two-dimensional model of CO2 injection and sequestration, and one-dimensional model of aquifer - cap-rock interface. Modeling was performed in two stages. The first one simulated the immediate changes in the aquifer and insulating rocks impacted by CO2 injection (100 days in case of reaction model and 30 years in transport and reaction model), the second - enabled assessment of long-term effects of sequestration (20000 years). Reactions' quality and progress were monitored and their effects on formation porosity and sequestration capacity in form of mineral, residual and free phase of CO2 were calculated. Calibration of numerical models (including precipitation of secondary minerals, and correction of kinetics parameters) describing the initial stage of injection, was based on the experimental results. Modeling allowed to evaluate the pore space saturation with gas, changes in the composition and pH of pore waters, relationships between porosity and permeability changes and crystallization or dissolution minerals. We assessed the temporal and spatial extent of crystallization processes, and the amount of carbonates trapping. CO2 in mineral form. The calculated sequestration capacity of analyzed formations reached n·100 kg/m3 for the: dissolved phase - CO(aq), gas phase - CO2(g) and mineral phase, but as much as 101 kg/m3 for the supercritical phase - SCCO2. Processes of gas

Up-scaling of a two-phase flow model including gravity effect in geological heterogeneous media: application to CO2 sequestration

International Nuclear Information System (INIS)

Ngo, Tri-Dat

2016-01-01

This work deals with the mathematical modeling and the numerical simulation of the migration under gravity and capillarity effects of the supercritical CO 2 injected into a geological heterogeneous sequestration site. The simulations are performed with the code DuMux. Particularly, we consider the up-scaling, from the cell scale to the reservoir scale, of a two-phase (CO 2 -brine) flow model within a periodic stratified medium made up of horizontal low permeability barriers, continuous or discontinuous. The up-scaling is done by the two-scale asymptotic method. First, we consider perfectly layered media. An homogenized model is developed and validated by numerical simulation for different values of capillary number and the incident flux of CO 2 . The homogenization method is then applied to the case of a two-dimensional medium made up of discontinuous layers. Due to the gravity effect, the CO 2 accumulates under the low permeability layers, which leads to a non-standard local mathematical problem. This stratification is modeled using the gravity current approach. This approach is then extended to the case of semi-permeable strata taking into account the capillarity. The up-scaled model is compared with numerical simulations for different types of layers, with or without capillary pressure, and its limit of validity is discussed in each of these cases. The final part of this thesis is devoted to the study of the parallel computing performances of the code DuMux to simulate the injection and migration of CO 2 in three-dimensional heterogeneous media (layered periodic media, fluvial media and reservoir model SPE 10). (author) [fr

Probabilistic modeling and global sensitivity analysis for CO 2 storage in geological formations: a spectral approach

KAUST Repository

Saad, Bilal Mohammed

2017-09-18

This work focuses on the simulation of CO2 storage in deep underground formations under uncertainty and seeks to understand the impact of uncertainties in reservoir properties on CO2 leakage. To simulate the process, a non-isothermal two-phase two-component flow system with equilibrium phase exchange is used. Since model evaluations are computationally intensive, instead of traditional Monte Carlo methods, we rely on polynomial chaos (PC) expansions for representation of the stochastic model response. A non-intrusive approach is used to determine the PC coefficients. We establish the accuracy of the PC representations within a reasonable error threshold through systematic convergence studies. In addition to characterizing the distributions of model observables, we compute probabilities of excess CO2 leakage. Moreover, we consider the injection rate as a design parameter and compute an optimum injection rate that ensures that the risk of excess pressure buildup at the leaky well remains below acceptable levels. We also provide a comprehensive analysis of sensitivities of CO2 leakage, where we compute the contributions of the random parameters, and their interactions, to the variance by computing first, second, and total order Sobol’ indices.

Probabilistic modeling and global sensitivity analysis for CO 2 storage in geological formations: a spectral approach

KAUST Repository

Saad, Bilal Mohammed; Alexanderian, Alen; Prudhomme, Serge; Knio, Omar

2017-01-01

This work focuses on the simulation of CO2 storage in deep underground formations under uncertainty and seeks to understand the impact of uncertainties in reservoir properties on CO2 leakage. To simulate the process, a non-isothermal two-phase two-component flow system with equilibrium phase exchange is used. Since model evaluations are computationally intensive, instead of traditional Monte Carlo methods, we rely on polynomial chaos (PC) expansions for representation of the stochastic model response. A non-intrusive approach is used to determine the PC coefficients. We establish the accuracy of the PC representations within a reasonable error threshold through systematic convergence studies. In addition to characterizing the distributions of model observables, we compute probabilities of excess CO2 leakage. Moreover, we consider the injection rate as a design parameter and compute an optimum injection rate that ensures that the risk of excess pressure buildup at the leaky well remains below acceptable levels. We also provide a comprehensive analysis of sensitivities of CO2 leakage, where we compute the contributions of the random parameters, and their interactions, to the variance by computing first, second, and total order Sobol’ indices.

Absorber Model for CO2 Capture by Monoethanolamine

DEFF Research Database (Denmark)

Faramarzi, Leila; Kontogeorgis, Georgios; Michelsen, Michael Locht

2010-01-01

The rate-based steady-state model proposed by Gabrielsen et al. (Gabrielsen, J.; Michelsen, M. L.; Kontogeorgis, G. M.; Stenby, E. H. AIChE J. 2006, 52, 10, 3443-3451) for the design of the CO2-2-amino-2-methylpropanol absorbers is adopted and improved for the design of the CO2-monoethanolamine......, and their impact on the model's prediction is compared. The model has been successfully applied to CO2 absorber packed columns and validated against pilot plant data with good agreement....

Hollow Fiber Membrane Contactors for CO2 Capture: Modeling and Up-Scaling to CO2 Capture for an 800 MWe Coal Power Station

Directory of Open Access Journals (Sweden)

Kimball Erin

2014-11-01

Full Text Available A techno-economic analysis was completed to compare the use of Hollow Fiber Membrane Modules (HFMM with the more conventional structured packing columns as the absorber in amine-based CO2 capture systems for power plants. In order to simulate the operation of industrial scale HFMM systems, a two-dimensional model was developed and validated based on results of a laboratory scale HFMM. After successful experiments and validation of the model, a pilot scale HFMM was constructed and simulated with the same model. The results of the simulations, from both sizes of HFMM, were used to assess the feasibility of further up-scaling to a HFMM system to capture the CO2 from an 800 MWe power plant. The system requirements – membrane fiber length, total contact surface area, and module volume – were determined from simulations and used for an economic comparison with structured packing columns. Results showed that a significant cost reduction of at least 50% is required to make HFMM competitive with structured packing columns. Several factors for the design of industrial scale HFMM require further investigation, such as the optimal aspect ratio (module length/diameter, membrane lifetime, and casing material and shape, in addition to the need to reduce the overall cost. However, HFMM were also shown to have the advantages of having a higher contact surface area per unit volume and modular scale-up, key factors for applications requiring limited footprints or flexibility in configuration.

Modelling the aqueous and nonaqueous interfaces for CO2 electro-reduction over Sn catalysts

Science.gov (United States)

Sheng, Tian; Sun, Shi-Gang

2018-01-01

In CO2 electroreduction, Sn catalysts with a high overpotential for hydrogen evolution reaction and a high selectivity towards formic acid formation are very attractive. Many efforts have been made for improving the catalytic performance and for understanding the mechanisms. In electrochemistry, the role of solvents for surface reactions was deserved to be investigated, in particular for some nonaqueous solvents. Here, we have modeled the aqueous (water) and nonaqueous (acetonitrile and dichloromethane) for investigation of CO2 electroreduction on Sn surface, by constrained ab initio molecular dynamics simulations and thermodynamic integrations, including a number of explicit solvent molecules in computational models. It was found that CO2 reduction is initiated from formate formation and solvents, in particular, water can effectively facilitate the reaction.

Modelling the diurnal and seasonal dynamics of soil CO2 exchange in a semiarid ecosystem with high plant–interspace heterogeneity

Directory of Open Access Journals (Sweden)

J. Gong

2018-01-01

Full Text Available We used process-based modelling to investigate the roles of carbon-flux (C-flux components and plant–interspace heterogeneities in regulating soil CO2 exchanges (FS in a dryland ecosystem with sparse vegetation. To simulate the diurnal and seasonal dynamics of FS, the modelling considered simultaneously the CO2 production, transport and surface exchanges (e.g. biocrust photosynthesis, respiration and photodegradation. The model was parameterized and validated with multivariate data measured during the years 2013–2014 in a semiarid shrubland ecosystem in Yanchi, northwestern China. The model simulation showed that soil rewetting could enhance CO2 dissolution and delay the emission of CO2 produced from rooting zone. In addition, an ineligible fraction of respired CO2 might be removed from soil volumes under respiration chambers by lateral water flows and root uptakes. During rewetting, the lichen-crusted soil could shift temporally from net CO2 source to sink due to the activated photosynthesis of biocrust but the restricted CO2 emissions from subsoil. The presence of plant cover could decrease the root-zone CO2 production and biocrust C sequestration but increase the temperature sensitivities of these fluxes. On the other hand, the sensitivities of root-zone emissions to water content were lower under canopy, which may be due to the advection of water flows from the interspace to canopy. To conclude, the complexity and plant–interspace heterogeneities of soil C processes should be carefully considered to extrapolate findings from chamber to ecosystem scales and to predict the ecosystem responses to climate change and extreme climatic events. Our model can serve as a useful tool to simulate the soil CO2 efflux dynamics in dryland ecosystems.

Application of simplified models to CO2 migration and immobilization in large-scale geological systems

KAUST Repository

Gasda, Sarah E.

2012-07-01

Long-term stabilization of injected carbon dioxide (CO 2) is an essential component of risk management for geological carbon sequestration operations. However, migration and trapping phenomena are inherently complex, involving processes that act over multiple spatial and temporal scales. One example involves centimeter-scale density instabilities in the dissolved CO 2 region leading to large-scale convective mixing that can be a significant driver for CO 2 dissolution. Another example is the potentially important effect of capillary forces, in addition to buoyancy and viscous forces, on the evolution of mobile CO 2. Local capillary effects lead to a capillary transition zone, or capillary fringe, where both fluids are present in the mobile state. This small-scale effect may have a significant impact on large-scale plume migration as well as long-term residual and dissolution trapping. Computational models that can capture both large and small-scale effects are essential to predict the role of these processes on the long-term storage security of CO 2 sequestration operations. Conventional modeling tools are unable to resolve sufficiently all of these relevant processes when modeling CO 2 migration in large-scale geological systems. Herein, we present a vertically-integrated approach to CO 2 modeling that employs upscaled representations of these subgrid processes. We apply the model to the Johansen formation, a prospective site for sequestration of Norwegian CO 2 emissions, and explore the sensitivity of CO 2 migration and trapping to subscale physics. Model results show the relative importance of different physical processes in large-scale simulations. The ability of models such as this to capture the relevant physical processes at large spatial and temporal scales is important for prediction and analysis of CO 2 storage sites. © 2012 Elsevier Ltd.

Regional impacts of climate change and atmospheric CO2 on future ocean carbon uptake: A multi-model linear feedback analysis

OpenAIRE

Roy Tilla; Bopp Laurent; Gehlen Marion; Schneider Birgitt; Cadule Patricia; Frölicher Thomas; Segschneider Jochen; Tijputra Jerry; Heinze Christoph; Joos Fortunat

2011-01-01

The increase in atmospheric CO2 over this century depends on the evolution of the oceanic air–sea CO2 uptake which will be driven by the combined response to rising atmospheric CO2 itself and climate change. Here the future oceanic CO2 uptake is simulated using an ensemble of coupled climate–carbon cycle models. The models are driven by CO2 emissions from historical data and the Special Report on Emissions Scenarios (SRES) A2 high emission scenario. A linear feedback analysis successfully sep...

Detecting annual and seasonal variations of CO2, CO and N2O from a multi-year collocated satellite-radiosonde data-set using the new Rapid Radiance Reconstruction (3R-N) model

International Nuclear Information System (INIS)

Chedin, A.; Serrar, S.; Hollingsworth, A.; Armante, R.; Scott, N.A.

2003-01-01

The NOAA polar meteorological satellites have embarked the TIROS-N operational vertical sounder (TOVS) since 1979. Using radiosondes and NOAA-10 TOVS measurements which are collocated within a narrow space and time window, we have studied the differences between the TOVS measurements and simulated measurements from a new fast, Rapid Radiance Reconstruction Network (3R-N), non-linear radiative transfer model with up to date spectroscopy. Simulations use radiosonde temperature and humidity measurements as the prime input. The radiative transfer model also uses fixed greenhouse gas absorber amounts (CO 2 ,CO,N 2 O) and reasonable estimates of O 3 and of surface temperature. The 3R-N model is first presented and validated. Then, a study of the differences between the simulated and measured radiances shows annual trends and seasonal variations consistent with independent measurements of variations in CO 2 and other greenhouse gases atmospheric concentrations. The improved accuracy of 3R-N and a better handling of its deviations with respect to observations allow most of difficulties met in a previous study (J. Climate 15 (2002) 95) to be resolved

Simulated Impact of Glacial Runoff on CO2 Uptake in the Gulf of Alaska

Science.gov (United States)

Pilcher, Darren J.; Siedlecki, Samantha A.; Hermann, Albert J.; Coyle, Kenneth O.; Mathis, Jeremy T.; Evans, Wiley

2018-01-01

The Gulf of Alaska (GOA) receives substantial summer freshwater runoff from glacial meltwater. The alkalinity of this runoff is highly dependent on the glacial source and can modify the coastal carbon cycle. We use a regional ocean biogeochemical model to simulate CO2 uptake in the GOA under different alkalinity-loading scenarios. The GOA is identified as a current net sink of carbon, though low-alkalinity tidewater glacial runoff suppresses summer coastal carbon uptake. Our model shows that increasing the alkalinity generates an increase in annual CO2 uptake of 1.9-2.7 TgC/yr. This transition is comparable to a projected change in glacial runoff composition (i.e., from tidewater to land-terminating) due to continued climate warming. Our results demonstrate an important local carbon-climate feedback that can significantly increase coastal carbon uptake via enhanced air-sea exchange, with potential implications to the coastal ecosystems in glaciated areas around the world.

Forecasting global atmospheric CO2

International Nuclear Information System (INIS)

Agusti-Panareda, A.; Massart, S.; Boussetta, S.; Balsamo, G.; Beljaars, A.; Engelen, R.; Jones, L.; Peuch, V.H.; Chevallier, F.; Ciais, P.; Paris, J.D.; Sherlock, V.

2014-01-01

A new global atmospheric carbon dioxide (CO 2 ) real-time forecast is now available as part of the preoperational Monitoring of Atmospheric Composition and Climate - Interim Implementation (MACC-II) service using the infrastructure of the European Centre for Medium-Range Weather Forecasts (ECMWF) Integrated Forecasting System (IFS). One of the strengths of the CO 2 forecasting system is that the land surface, including vegetation CO 2 fluxes, is modelled online within the IFS. Other CO 2 fluxes are prescribed from inventories and from off-line statistical and physical models. The CO 2 forecast also benefits from the transport modelling from a state-of-the-art numerical weather prediction (NWP) system initialized daily with a wealth of meteorological observations. This paper describes the capability of the forecast in modelling the variability of CO 2 on different temporal and spatial scales compared to observations. The modulation of the amplitude of the CO 2 diurnal cycle by near-surface winds and boundary layer height is generally well represented in the forecast. The CO 2 forecast also has high skill in simulating day-to-day synoptic variability. In the atmospheric boundary layer, this skill is significantly enhanced by modelling the day-to-day variability of the CO 2 fluxes from vegetation compared to using equivalent monthly mean fluxes with a diurnal cycle. However, biases in the modelled CO 2 fluxes also lead to accumulating errors in the CO 2 forecast. These biases vary with season with an underestimation of the amplitude of the seasonal cycle both for the CO 2 fluxes compared to total optimized fluxes and the atmospheric CO 2 compared to observations. The largest biases in the atmospheric CO 2 forecast are found in spring, corresponding to the onset of the growing season in the Northern Hemisphere. In the future, the forecast will be re-initialized regularly with atmospheric CO 2 analyses based on the assimilation of CO 2 products retrieved from satellite

Atomistic simulation of CO 2 solubility in poly(ethylene oxide) oligomers

KAUST Repository

Hong, Bingbing; Panagiotopoulos, Athanassios Z.

2013-01-01

We have performed atomistic molecular dynamics simulations coupled with thermodynamic integration to obtain the excess chemical potential and pressure-composition phase diagrams for CO2 in poly(ethylene oxide) oligomers. Poly(ethylene oxide

Numerical modeling of CO2 mineralisation during storage in deep saline aquifers

NARCIS (Netherlands)

Ranganathan, P.; Van Hemert, P.; Rudolph, S.J.; Zitha, P.L.J.

2011-01-01

Simulations are performed to evaluate the feasibility of a potential site within the Rotliegend sandstone formation in the Dutch subsurface at a depth of around 3000 m for CO2 sequestration using the numerical simulator CMG-GEM. Three CO2 storage trapping mechanisms are studied: (1) mobility

Numerical simulation methods applied to injection and storage of CO{sub 2} in saline aquifers; Metodos de simulacion numerica aplicados a la inyeccion y almacenamiento de CO{sub 2} en formaciones salinas

Energy Technology Data Exchange (ETDEWEB)

Arjona Garcia-Borreguero, J.; Rodriguez Pons-Esparver, R.; Iglesias Lopez, A.

2015-07-01

One of the Climate Change mitigation proposals suggested by the IPCC (Intergovernmental Panel on Climate Change) in its Synthesis Report 2007 involves the launch of applications for capturing and storing carbon dioxide, existing three different geological structures suitable for gas storage: oil and gas depleted reservoirs, useless coal layers and deep saline structures. In case of deep saline structures, the main problem to prepare a study of CO{sub 2} storage is the difficulty of obtaining geological data for some selected structure with characteristics that could be suitable for injection and gas storage. According to this situation, the solution to analyze the feasibility of a storage project in a geological structure will need numerical simulation from a 3D terrain model. Numerical methods allow the simulation of the carbon dioxide filling in saline structures from a well, used to inject gas with a particular flow. This paper presents a methodology to address the modeling and simulation process of CO{sub 2} injection into deep saline aquifers. (Author)

Modeling the night-time CO2 4.3 μm emissions in the mesosphere/lower thermosphere

Science.gov (United States)

Panka, Peter; Kutepov, Alexander; Feofilov, Artem; Rezac, Ladislav; Janches, Diego

2016-04-01

We present a detailed non-LTE model of the night-time CO2 4.3 μm emissions in the MLT. The model accounts for various mechanisms of the non-thermal excitation of CO2 molecules and both for inter- and intra-molecular vibrational-vibrational (VV) and vibrational-translational (VT) energy exchanges. In this model, we pay a specific attention to the transfer of vibrational energy of OH(ν), produced in the chemical reaction H + O3, to the CO2(ν3) vibrational mode. With the help of this model, we simulated a set of non-LTE 4.3 μm MLT limb emissions for typical atmospheric scenarios and compared the vertical profiles of integrated radiances with the corresponding SABER/TIMED observations. The implications, which follow from this comparison, for selecting non-LTE model parameters (rate coefficients), as well as for the night-time CO2 density retrieval in the MLT are discussed.

Source strength and dispersion of CO2 releases from high-pressure pipelines: CFD model using real gas equation of state

International Nuclear Information System (INIS)

Liu, Xiong; Godbole, Ajit; Lu, Cheng; Michal, Guillaume; Venton, Philip

2014-01-01

Highlights: • Validated CFD models for decompression and dispersion of CO 2 releases from pipelines. • Incorporation of real gas EOS into CFD code for source strength estimation. • Demonstration of better performance of SST k–ω turbulence model for jet flow. • Demonstration of better performance of real gas EOS compared to ideal gas EOS. • Demonstration of superiority of CFD models over a commercial risk assessment package. - Abstract: Transportation of CO 2 in high-pressure pipelines forms a crucial link in the ever-increasing application of Carbon Capture and Storage (CCS) technologies. An unplanned release of CO 2 from a pipeline presents a risk to human and animal populations and the environment. Therefore it is very important to develop a deeper understanding of the atmospheric dispersion of CO 2 before the deployment of CO 2 pipelines, to allow the appropriate safety precautions to be taken. This paper presents a two-stage Computational Fluid Dynamics (CFD) study developed (1) to estimate the source strength, and (2) to simulate the subsequent dispersion of CO 2 in the atmosphere, using the source strength estimated in stage (1). The Peng–Robinson (PR) EOS was incorporated into the CFD code. This enabled accurate modelling of the CO 2 jet to achieve more precise source strength estimates. The two-stage simulation approach also resulted in a reduction in the overall computing time. The CFD models were validated against experimental results from the British Petroleum (BP) CO 2 dispersion trials, and also against results produced by the risk management package Phast. Compared with the measurements, the CFD simulation results showed good agreement in both source strength and dispersion profile predictions. Furthermore, the effect of release direction on the dispersion was studied. The presented research provides a viable method for the assessment of risks associated with CCS

Modeling Silicate Weathering for Elevated CO2 and Temperature

Science.gov (United States)

Bolton, E. W.

2016-12-01

A reactive transport model (RTM) is used to assess CO2 drawdown by silicate weathering over a wide range of temperature, pCO2, and infiltration rates for basalts and granites. Although RTM's have been used extensively to model weathering of basalts and granites for present-day conditions, we extend such modeling to higher CO2 that could have existed during the Archean and Proterozoic. We also consider a wide range of surface temperatures and infiltration rates. We consider several model basalt and granite compositions. We normally impose CO2 in equilibrium with the various atmospheric ranges modeled and CO2 is delivered to the weathering zone by aqueous transport. We also consider models with fixed CO2 (aq) throughout the weathering zone as could occur in soils with partial water saturation or with plant respiration, which can strongly influence pH and mineral dissolution rates. For the modeling, we use Kinflow: a model developed at Yale that includes mineral dissolution and precipitation under kinetic control, aqueous speciation, surface erosion, dynamic porosity, permeability, and mineral surface areas via sub-grid-scale grain models, and exchange of volatiles at the surface. Most of the modeling is done in 1D, but some comparisons to 2D domains with heterogeneous permeability are made. We find that when CO2 is fixed only at the surface, the pH tends toward higher values for basalts than granites, in large part due to the presence of more divalent than monovalent cations in the primary minerals, tending to decrease rates of mineral dissolution. Weathering rates increase (as expected) with increasing CO2 and temperature. This modeling is done with the support of the Virtual Planetary Laboratory.

GFDL's CM2 global coupled climate models. Part I: Formulation and simulation characteristics

Science.gov (United States)

Delworth, T.L.; Broccoli, A.J.; Rosati, A.; Stouffer, R.J.; Balaji, V.; Beesley, J.A.; Cooke, W.F.; Dixon, K.W.; Dunne, J.; Dunne, K.A.; Durachta, J.W.; Findell, K.L.; Ginoux, P.; Gnanadesikan, A.; Gordon, C.T.; Griffies, S.M.; Gudgel, R.; Harrison, M.J.; Held, I.M.; Hemler, R.S.; Horowitz, L.W.; Klein, S.A.; Knutson, T.R.; Kushner, P.J.; Langenhorst, A.R.; Lee, H.-C.; Lin, S.-J.; Lu, J.; Malyshev, S.L.; Milly, P.C.D.; Ramaswamy, V.; Russell, J.; Schwarzkopf, M.D.; Shevliakova, E.; Sirutis, J.J.; Spelman, M.J.; Stern, W.F.; Winton, M.; Wittenberg, A.T.; Wyman, B.; Zeng, F.; Zhang, R.

2006-01-01

The formulation and simulation characteristics of two new global coupled climate models developed at NOAA's Geophysical Fluid Dynamics Laboratory (GFDL) are described. The models were designed to simulate atmospheric and oceanic climate and variability from the diurnal time scale through multicentury climate change, given our computational constraints. In particular, an important goal was to use the same model for both experimental seasonal to interannual forecasting and the study of multicentury global climate change, and this goal has been achieved. Tw o versions of the coupled model are described, called CM2.0 and CM2.1. The versions differ primarily in the dynamical core used in the atmospheric component, along with the cloud tuning and some details of the land and ocean components. For both coupled models, the resolution of the land and atmospheric components is 2?? latitude ?? 2.5?? longitude; the atmospheric model has 24 vertical levels. The ocean resolution is 1?? in latitude and longitude, with meridional resolution equatorward of 30?? becoming progressively finer, such that the meridional resolution is 1/3?? at the equator. There are 50 vertical levels in the ocean, with 22 evenly spaced levels within the top 220 m. The ocean component has poles over North America and Eurasia to avoid polar filtering. Neither coupled model employs flux adjustments. The co ntrol simulations have stable, realistic climates when integrated over multiple centuries. Both models have simulations of ENSO that are substantially improved relative to previous GFDL coupled models. The CM2.0 model has been further evaluated as an ENSO forecast model and has good skill (CM2.1 has not been evaluated as an ENSO forecast model). Generally reduced temperature and salinity biases exist in CM2.1 relative to CM2.0. These reductions are associated with 1) improved simulations of surface wind stress in CM2.1 and associated changes in oceanic gyre circulations; 2) changes in cloud tuning and

A Study on the Evaluation of Real Gas vs. Ideal Gas for its Application to the CO2 Leak Flow Model

International Nuclear Information System (INIS)

Jung, Hwa-Young; Lee, Jeong Ik

2015-01-01

The leak can cause various mechanical and thermal problems. Moreover, CO 2 also reacts with sodium by producing some solid reaction products (i.e. Na 2 CO 3 , Na 2 O, etc.), toxic gas (i.e. CO) and heat. Prior to applying the S-CO 2 Brayton cycle to the SFRs, the important safety issues that can occur in the Na-CO 2 heat exchanger should be evaluated. For this, it is essential to predict a CO 2 leak mechanism when the pressure boundary fails. The degree of sodium-CO 2 reaction is determined by several factors; a crack or rupture size, the interfacial area between sodium and CO 2 , the amount of released CO 2 , and so on. In order to simulate more reasonable and realistic CO 2 leak flow, one needs to evaluate and improve some limitations found from the previous studies. The dynamic response in the CO 2 side should be considered for varying mass flux at the nozzle exit over time. Thus, it is necessary to investigate more practical flow model to evaluate the system condition change and its consequences during the CO 2 leak. For the flow modeling, it is obvious that a real gas effect and friction force should be considered. However, due to its complexity and difficulty, it is generally assumed that CO 2 behaves as an ideal gas, and an isentropic critical flow without considering the friction force was applied for the analysis so far. In this paper, before incorporating the real gas effect and friction force to the model, gas properties are evaluated as the first step. The fluid properties of CO 2 is studied to observe how strong the real gas effect can be under SFR operating conditions. From this result, it is determined that which gas model is applicable to the CO 2 leak flow model for simulating the accident scenario in the given conditions of Na-CO 2 heat exchanger. The ideal gas law and the isentropic critical flow model are generally applied to predict the state and the flow rate of CO 2 leak in the Na-CO 2 heat exchanger previously. However, to simulate a

TransCom model simulations of hourly atmospheric CO2: Analysis of synoptic-scale variations for the period 2002-2003

NARCIS (Netherlands)

Patra, P. K.; Law, R. M.; Peters, W.; RöDenbeck, C.; Takigawa, M.; Aulagnier, C.; Baker, I.; Bergmann, D. J.; Bousquet, P.; Brandt, J.; Bruhwiler, L.; Cameron-Smith, P. J.; Christensen, J. H.; Delage, F.; Denning, A. S.; Fan, S.; Geels, C.; Houweling, S.; Imasu, R.; Karstens, U.; Kawa, S. R.; Kleist, J.; Krol, M. C.; Lin, S.-J.; Lokupitiya, R.; Maki, T.; Maksyutov, S.; Niwa, Y.; Onishi, R.; Parazoo, N.; Pieterse, G.; Rivier, L.; Satoh, M.; Serrar, S.; Taguchi, S.; Vautard, R.; Vermeulen, A. T.; Zhu, Z.

2008-01-01

The ability to reliably estimate CO2 fluxes from current in situ atmospheric CO2 measurements and future satellite CO2 measurements is dependent on transport model performance at synoptic and shorter timescales. The TransCom continuous experiment was designed to evaluate the performance of forward

Enhanced simulations of CH4 and CO2 production in permafrost-affected soils address soil moisture controls on anaerobic decomposition

Science.gov (United States)

Graham, D. E.; Zheng, J.; Moon, J. W.; Painter, S. L.; Thornton, P. E.; Gu, B.; Wullschleger, S. D.

2017-12-01

Rapid warming of Arctic ecosystems exposes soil organic carbon (SOC) to accelerated microbial decomposition, leading to increased emissions of carbon dioxide (CO2) and methane (CH4) that have a positive feedback on global warming. The magnitude, timing, and form of carbon release will depend not only on changes in temperature, but also on biogeochemical and hydrological properties of soils. In this synthesis study, we assessed the decomposability of thawed organic carbon from active layer soils and permafrost from the Barrow Environmental Observatory across different microtopographic positions under anoxic conditions. The main objectives of this study were to (i) examine environmental conditions and soil properties that control anaerobic carbon decomposition and carbon release (as both CO2 and CH4); (ii) develop a common set of parameters to simulate anaerobic CO2 and CH4 production; and (iii) evaluate uncertainties generated from representations of pH and temperature effects in the current model framework. A newly developed anaerobic carbon decomposition framework simulated incubation experiment results across a range of soil water contents. Anaerobic CO2 and CH4 production have different temperature and pH sensitivities, which are not well represented in current biogeochemical models. Distinct dynamics of CH4 production at -2° C suggest methanogen biomass and growth rate limit activity in these near-frozen soils, compared to warmer temperatures. Anaerobic CO2 production is well constrained by the model using data-informed labile carbon pool and fermentation rate initialization to accurately simulate its temperature sensitivity. On the other hand, CH4 production is controlled by water content, methanogenesis biomass, and the presence of alternative electron acceptors, producing a high temperature sensitivity with large uncertainties for methanogenesis. This set of environmental constraints to methanogenesis is likely to undergo drastic changes due to permafrost

Modelling of elementary kinetics of H2 and CO oxidation on ceria pattern cells

International Nuclear Information System (INIS)

Patel, HC; Tabish, AN; Aravind, PV

2015-01-01

Elementary kinetic mechanisms of fuel oxidation on ceria have not been dealt with in detail in literature. An elementary kinetic model is developed considering charge transfer and adsorption steps for electrochemical H 2 and CO oxidation on ceria. The reaction chemistry is solved by fitting previously obtained impedance spectra for H 2 and CO oxidation on ceria. The rate determining step is found to be the charge transfer rather than the adsorption for both H 2 and CO. A method is presented to extend the kinetics obtained from pattern anodes to macroscopic simulations in which the activation overvoltage can be calculated on the basis of elementary kinetics.

CO2 taxes, double dividend and competition in the energy sector: Applications of the Danish CGE model ECOSMEC

International Nuclear Information System (INIS)

Goertz, M.; Hansen, J.V.; Larsen, M.

1999-01-01

In this paper we develop a new CGE model of the Danish economy with the acronym ECOSMEC (Economic COuncil Simulation Model with Energy markets and Carbon taxation). The model is a hybrid of two existing static models developed by respectively the Secretariat of the Danish Economic Council and by the MobiDK model project in the Ministry of Business and Industry. Distinct features of the ECOSMEC models are a rather disaggregated modelling of energy demand and supply, introduction of various market structures in the energy sector, and a consistent specification of different household types. The simulations presented in the paper have the following implications: Firstly, a uniform CO 2 tax of approximately 300 DKK per ton could reduce emissions by 20 per cent in a scenario with perfect competition in the energy sector. Secondly, a double dividend (reduced emissions and increased welfare) could be gained by using the CO 2 tax revenue for reducing distorting income taxes. However, the double dividend result depends decisively on the applied elasticity of substitution between consumption and leisure. Thirdly, assuming different market structures in the energy sector influences the uniform CO 2 tax needed to reach a given emission target. Fourthly, the empirical aguments for differentiated CO 2 taxes motivated by imperfect energy markets are weak. Fifthly, the Danish economy could benefit from a deregulation of the electricity and district heating sector with respect to welfare and economic activity. This result holds also if CO 2 emissions are kept constant. (au)

Simplified models of rates of CO2 mineralization in Geologic Carbon Storage

Science.gov (United States)

DePaolo, D. J.; Zhang, S.

2017-12-01

Geologic carbon storage (GCS) reverses the flow of carbon to the atmosphere, returning the carbon to long-term geologic storage. Models suggest that most of the injected CO2 will be "trapped" in the subsurface by physical means, but the most risk-free and permanent form of carbon storage is as carbonate minerals (Ca,Mg,Fe)CO3. The transformation of CO2 to carbonate minerals requires supply of divalent cations by dissolution of silicate minerals. Available data suggest that rates of transformation are difficult to predict. We show that the chemical kinetic observations and experimental results, when reduced to a single timescale that describes the fractional rate at which cations are released to solution by mineral dissolution, show sufficiently systematic behavior that the rates of mineralization can be estimated with reasonable certainty. Rate of mineralization depends on both the abundance (determined by the reservoir rock mineralogy) and the rate at which cations are released by dissolution into pore fluid that has been acidified with dissolved CO2. Laboratory-measured rates and field observations give values spanning 8 to 10 orders of magnitude, but when evaluated in the context of reservoir-scale reactive transport simulations, this range becomes much smaller. Reservoir scale simulations indicate that silicate mineral dissolution and subsequent carbonate mineral precipitation occur at pH 4.5 to 6, fluid flow velocity less than 5m/yr, and 50-100 years or more after the start of injection. These constraints lead to estimates of 200 to 2000 years for conversion of 60-90% of injected CO2 when the reservoir rock has a sufficient volume fraction of divalent cation-bearing silicate minerals (ca. 20%), and confirms that when reservoir rock mineralogy is not favorable the fraction of CO2 converted to carbonate minerals is minimal over 104 years. A sufficient amount of reactive minerals represents the condition by which the available cations per volume of rock plus pore

Numerical modeling of injection and mineral trapping of CO2 withH2S and SO2 in a Sandstone Formation

Energy Technology Data Exchange (ETDEWEB)

Xu, Tianfu; Apps, John A.; Pruess, Karsten; Yamamoto, Hajime

2004-09-07

Carbon dioxide (CO{sub 2}) injection into deep geologic formations could decrease the atmospheric accumulation of this gas from anthropogenic sources. Furthermore, by co-injecting H{sub 2}S or SO{sub 2}, the products respectively of coal gasification or combustion, with captured CO{sub 2}, problems associated with surface disposal would be mitigated. We developed models that simulate the co-injection of H{sub 2}S or SO{sub 2} with CO{sub 2} into an arkose formation at a depth of about 2 km and 75 C. The hydrogeology and mineralogy of the injected formation are typical of those encountered in Gulf Coast aquifers of the United States. Six numerical simulations of a simplified 1-D radial region surrounding the injection well were performed. The injection of CO{sub 2} alone or co-injection with SO{sub 2} or H{sub 2}S results in a concentrically zoned distribution of secondary minerals surrounding a leached and acidified region adjacent to the injection well. Co-injection of SO{sub 2} with CO{sub 2} results in a larger and more strongly acidified zone, and alteration differs substantially from that caused by the co-injection of H{sub 2}S or injection of CO{sub 2} alone. Precipitation of carbonates occurs within a higher pH (pH > 5) peripheral zone. Significant quantities of CO{sub 2} are sequestered by ankerite, dawsonite, and lesser siderite. The CO{sub 2} mineral-trapping capacity of the formation can attain 40-50 kg/m{sup 3} medium for the selected arkose. In contrast, secondary sulfates precipitate at lower pH (pH < 5) within the acidified zone. Most of the injected SO{sub 2} is transformed and immobilized through alunite precipitation with lesser amounts of anhydrite and minor quantities of pyrite. The dissolved CO{sub 2} increases with time (enhanced solubility trapping). The mineral alteration induced by injection of CO{sub 2} with either SO{sub 2} or H{sub 2}S leads to corresponding changes in porosity. Significant increases in porosity occur in the acidified