WorldWideScience

Sample records for model simulated co2

  1. Simulation of atmospheric CO2 over Europe and western Siberia using the regional scale model REMO

    International Nuclear Information System (INIS)

    Chevillard, A.; Ciais, P.; Lafont, S.

    2002-01-01

    The spatial distribution and the temporal variability of atmospheric CO 2 over Europe and western Siberia are investigated using the regional atmospheric model, REMO. The model, of typical horizontal resolution 50 km, is part of a nested modelling framework that has been established as a concerted action during the EUROSIBERIAN CARBONFLUX project. In REMO, the transport of CO 2 is simulated together with climate variables, which offers the possibility of calculating at each time step the land atmosphere CO 2 fluxes as driven by the modelled meteorology. The uptake of CO 2 by photosynthesis is calculated using a light use efficiency formulation, where the absorbed photosynthetically active solar radiation is inferred from satellite measurements. The release of CO 2 from plant and soil respiration is driven by the simulated climate and assumed to be in equilibrium with photosynthesis over the course of one year. Fossil CO 2 emissions and air-sea fluxes within the model domain are prescribed, whereas the influence of sources outside the model domain is computed from as a boundary condition CO 2 fields determined a global transport model. The modelling results are compared against pointwise eddy covariance fluxes, and against atmospheric CO 2 records. We show that a necessary condition to simulate realistically the variability of atmospheric CO 2 over continental Europe is to account for the diurnal cycle of biospheric exchange. Overall, for the study period of July 1998, REMO realistically simulates the short-term variability of fluxes and of atmospheric mixing ratios. However, the mean CO 2 gradients from western Europe to western Siberia are not correctly reproduced. This latter deficiency points out the key role of boundary conditions in a limited-area model, as well as the need for using more realistic geographic mean patterns of biospheric carbon fluxes

  2. Modeling and Simulation of Nanoparticle Transport in Multiphase Flows in Porous Media: CO2 Sequestration

    KAUST Repository

    El-Amin, Mohamed

    2012-09-03

    Geological storage of anthropogenic CO2 emissions in deep saline aquifers has recently received tremendous attention in the scientific literature. Injected CO2 plume buoyantly accumulates at the top part of the deep aquifer under a sealing cap rock, and some concern that the high-pressure CO2 could breach the seal rock. However, CO2 will diffuse into the brine underneath and generate a slightly denser fluid that may induce instability and convective mixing. Onset times of instability and convective mixing performance depend on the physical properties of the rock and fluids, such as permeability and density contrast. The novel idea is to adding nanoparticles to the injected CO2 to increase density contrast between the CO2-rich brine and the underlying resident brine and, consequently, decrease onset time of instability and increase convective mixing. As far as it goes, only few works address the issues related to mathematical and numerical modeling aspects of the nanoparticles transport phenomena in CO2 storages. In the current work, we will present mathematical models to describe the nanoparticles transport carried by injected CO2 in porous media. Buoyancy and capillary forces as well as Brownian diffusion are important to be considered in the model. IMplicit Pressure Explicit Saturation-Concentration (IMPESC) scheme is used and a numerical simulator is developed to simulate the nanoparticles transport in CO2 storages.

  3. Mathematical Modeling and Numerical Simulation of CO2 Removal by Using Hollow Fiber Membrane Contactors

    Directory of Open Access Journals (Sweden)

    Mohammad Mesbah

    2017-10-01

    Full Text Available Abstract In this study, a mathematical model is proposed for CO2 separation from N2/CO2 mixtureusing a hollow fiber membrane contactor by various absorbents. The contactor assumed as non-wetted membrane; radial and axial diffusions were also considered in the model development. The governing equations of the model are solved via the finite element method (FEM. To ensure the accuracy of the developed model, the simulation results were validated using the reported experimental data for potassium glycinate (PG, monoethanol amine (MEA, and methyldiethanol amine (MDEA. The results of the proposed model indicated that PG absorbent has the highest removal efficiency of CO2, followed by potassium threonate (PT, MEA, amino-2-methyl-1-propanol (AMP, diethanol amine (DEA, and MDEA in sequence. In addition, the results revealed that the CO2 removal efficiency was favored by absorbent flow rate and liquid temperature, while the gas flow rate has a reverse effect. The simulation results proved that the hollow fiber membrane contactors have a good potential in the area of CO2 capture.

  4. Toward verifying fossil fuel CO2 emissions with the CMAQ model: motivation, model description and initial simulation.

    Science.gov (United States)

    Liu, Zhen; Bambha, Ray P; Pinto, Joseph P; Zeng, Tao; Boylan, Jim; Huang, Maoyi; Lei, Huimin; Zhao, Chun; Liu, Shishi; Mao, Jiafu; Schwalm, Christopher R; Shi, Xiaoying; Wei, Yaxing; Michelsen, Hope A

    2014-04-01

    Motivated by the question of whether and how a state-of-the-art regional chemical transport model (CTM) can facilitate characterization of CO2 spatiotemporal variability and verify CO2 fossil-fuel emissions, we for the first time applied the Community Multiscale Air Quality (CMAQ) model to simulate CO2. This paper presents methods, input data, and initial results for CO2 simulation using CMAQ over the contiguous United States in October 2007. Modeling experiments have been performed to understand the roles of fossil-fuel emissions, biosphere-atmosphere exchange, and meteorology in regulating the spatial distribution of CO2 near the surface over the contiguous United States. Three sets of net ecosystem exchange (NEE) fluxes were used as input to assess the impact of uncertainty of NEE on CO2 concentrations simulated by CMAQ. Observational data from six tall tower sites across the country were used to evaluate model performance. In particular, at the Boulder Atmospheric Observatory (BAO), a tall tower site that receives urban emissions from Denver CO, the CMAQ model using hourly varying, high-resolution CO2 fossil-fuel emissions from the Vulcan inventory and Carbon Tracker optimized NEE reproduced the observed diurnal profile of CO2 reasonably well but with a low bias in the early morning. The spatial distribution of CO2 was found to correlate with NO(x), SO2, and CO, because of their similar fossil-fuel emission sources and common transport processes. These initial results from CMAQ demonstrate the potential of using a regional CTM to help interpret CO2 observations and understand CO2 variability in space and time. The ability to simulate a full suite of air pollutants in CMAQ will also facilitate investigations of their use as tracers for CO2 source attribution. This work serves as a proof of concept and the foundation for more comprehensive examinations of CO2 spatiotemporal variability and various uncertainties in the future. Atmospheric CO2 has long been modeled

  5. Process simulation of CO2 capture with aqueous ammonia using the Extended UNIQUAC model

    DEFF Research Database (Denmark)

    Darde, Victor Camille Alfred; Maribo-Mogensen, Bjørn; van Well, Willy J.M.

    2012-01-01

    of the process is necessary.In this work, the performance of the carbon dioxide capture process using aqueous ammonia has been analyzed by process simulation. The Extended UNIQUAC thermodynamic model available for the CO2–NH3–H2O system has been implemented in the commercial simulator Aspen Plus®1 by using...... dioxide at low temperature (2–10°C). The low temperature limits the vaporization of ammonia in the absorber and entails precipitation of ammonium carbonate compounds, thereby allowing high loadings of CO2. The process has thereby good perspectives. However, a scientific understanding and evaluation......The use of aqueous ammonia is a promising option to capture carbon dioxide from power plants thanks to the potential low heat requirement during the carbon dioxide desorption compared to monoethanolamine (MEA) based process. The patented Chilled Ammonia Process developed by Alstom absorbs carbon...

  6. High-performance modeling of CO2 sequestration by coupling reservoir simulation and molecular dynamics

    KAUST Repository

    Bao, Kai

    2013-01-01

    The present work describes a parallel computational framework for CO2 sequestration simulation by coupling reservoir simulation and molecular dynamics (MD) on massively parallel HPC systems. In this framework, a parallel reservoir simulator, Reservoir Simulation Toolbox (RST), solves the flow and transport equations that describe the subsurface flow behavior, while the molecular dynamics simulations are performed to provide the required physical parameters. Numerous technologies from different fields are employed to make this novel coupled system work efficiently. One of the major applications of the framework is the modeling of large scale CO2 sequestration for long-term storage in the subsurface geological formations, such as depleted reservoirs and deep saline aquifers, which has been proposed as one of the most attractive and practical solutions to reduce the CO2 emission problem to address the global-warming threat. To effectively solve such problems, fine grids and accurate prediction of the properties of fluid mixtures are essential for accuracy. In this work, the CO2 sequestration is presented as our first example to couple the reservoir simulation and molecular dynamics, while the framework can be extended naturally to the full multiphase multicomponent compositional flow simulation to handle more complicated physical process in the future. Accuracy and scalability analysis are performed on an IBM BlueGene/P and on an IBM BlueGene/Q, the latest IBM supercomputer. Results show good accuracy of our MD simulations compared with published data, and good scalability are observed with the massively parallel HPC systems. The performance and capacity of the proposed framework are well demonstrated with several experiments with hundreds of millions to a billion cells. To our best knowledge, the work represents the first attempt to couple the reservoir simulation and molecular simulation for large scale modeling. Due to the complexity of the subsurface systems

  7. TransCom model simulations of hourly atmospheric CO2: Experimental overview and diurnal cycle results for 2002

    NARCIS (Netherlands)

    Law, R. M.; Peters, W.; Roedenbeck, C.; 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.; Patra, P. K.; Pieterse, G.; Rivier, L.; Satoh, M.; Serrar, S.; Taguchi, S.; Takigawa, M.; Vautard, R.; Vermeulen, A. T.; Zhu, Z.

    2008-01-01

    [1] A forward atmospheric transport modeling experiment has been coordinated by the TransCom group to investigate synoptic and diurnal variations in CO2. Model simulations were run for biospheric, fossil, and air-sea exchange of CO2 and for SF6 and radon for 2000-2003. Twenty-five models or model

  8. TransCom model simulations of hourly atmospheric CO2: Experimental overview and diurnal cycle results for 2002

    NARCIS (Netherlands)

    Law, R. M.; Peters, W.; RöDenbeck, C.; 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.; Patra, P. K.; Pieterse, G.; Rivier, L.; Satoh, M.; Serrar, S.; Taguchi, S.; Takigawa, M.; Vautard, R.; Vermeulen, A. T.; Zhu, Z.

    2008-01-01

    A forward atmospheric transport modeling experiment has been coordinated by the TransCom group to investigate synoptic and diurnal variations in CO2. Model simulations were run for biospheric, fossil, and air-sea exchange of CO2 and for SF6 and radon for 2000-2003. Twenty-five models or model

  9. Simulation and modeling CO2 absorption in biogas with DEA promoted K2CO3 solution in packed column

    Science.gov (United States)

    Nurkhamidah, Siti; Altway, Ali; Airlangga, Bramantyo; Emilia, Dwi Putri

    2017-05-01

    Absorption of carbon dioxide (CO2) using potassium carbonate (K2CO3) is one of biogas purification method. However, K2CO3 have slow mass transfer in liquid phase. So it is necessary to eliminate the disadvantage of CO2 absorption using K2CO3 by adding promotor (activator). Diethanol amine (DEA) is one of promotor which can increase its reaction rate. Simulation and modeling research of the CO2 absorption from biogas with DEA promoted K2CO3 solution has not been conducted. Thus, the main goal of this research is create model and simulation for the CO2 absorption from biogas with DEA promoted K2CO3 solution, then observe the influence of promoter concentration. DEA concentration varies between 1-5 %wt. From the simulation, we concluded that the CO2 removal rise with the increasing of promoter concentration. The highest CO2 removal is 54.5318 % at 5 % wt DEA concentration.

  10. 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.

  11. Simulation of spring wheat responses to elevated CO2 and temperature by using CERES-wheat crop model

    Directory of Open Access Journals (Sweden)

    H. LAURILA

    2008-12-01

    Full Text Available The CERES-wheat crop simulation model was used to estimate the changes in phenological development and yield production of spring wheat (Triticum aestivum L., cv. Polkka under different temperature and CO2 growing conditions. The effects of elevated temperature (3-4°C and CO2 concentration (700 ppm as expected for Finland in 2100 were simulated. The model was calibrated for long-day growing conditions in Finland. The CERES-wheat genetic coefficients for cv. Polkka were calibrated by using the MTT Agrifood Research Finland (MTT official variety trial data (1985-1990. Crop phenological development and yield measurements from open-top chamber experiments with ambient and elevated temperature and CO2 treatments were used to validate the model. Simulated mean grain yield under ambient temperature and CO2 conditions was 6.16 t ha-1 for potential growth (4.49 t ha-1 non-potential and 5.47 t ha-1 for the observed average yield (1992-1994 in ambient open-top chamber conditions. The simulated potential grain yield increased under elevated CO2 (700 ppm to 142% (167% non-potential from the simulated reference yield (100%, ambient temperature and CO2 350 ppm. Simulations for current sowing date and elevated temperature (3°C indicate accelerated anthesis and full maturity. According to the model estimations, potential yield decreased on average to 80.4% (76.8% non-potential due to temperature increase from the simulated reference. When modelling the concurrent elevated temperature and CO2 interaction, the increase in grain yield due to elevated CO2 was reduced by the elevated temperature. The combined CO2 and temperature effect increased the grain yield to 106% for potential growth (122% non-potential compared to the reference. Simulating the effects of earlier sowing, the potential grain yield increased under elevated temperature and CO2 conditions to 178% (15 days earlier sowing from 15 May, 700 ppm CO2, 3°C from the reference. Simulation results suggest

  12. 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.

  13. 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)

  14. Late Cretaceous climate simulations with different CO2 levels and subarctic gateway configurations: A model-data comparison

    Science.gov (United States)

    Niezgodzki, Igor; Knorr, Gregor; Lohmann, Gerrit; Tyszka, Jarosław; Markwick, Paul J.

    2017-09-01

    We investigate the impact of different CO2 levels and different subarctic gateway configurations on the surface temperatures during the latest Cretaceous using the Earth System Model COSMOS. The simulated temperatures are compared with the surface temperature reconstructions based on a recent compilation of the latest Cretaceous proxies. In our numerical experiments, the CO2 level ranges from 1 to 6 times the preindustrial (PI) CO2 level of 280 ppm. On a global scale, the most reasonable match between modeling and proxy data is obtained for the experiments with 3 to 5 × PI CO2 concentrations. However, the simulated low- (high-) latitude temperatures are too high (low) as compared to the proxy data. The moderate CO2 levels scenarios might be more realistic, if we take into account proxy data and the dead zone effect criterion. Furthermore, we test if the model-data discrepancies can be caused by too simplistic proxy-data interpretations. This is distinctly seen at high latitudes, where most proxies are biased toward summer temperatures. Additional sensitivity experiments with different ocean gateway configurations and constant CO2 level indicate only minor surface temperatures changes (greenhouse worlds is best constrained by temperatures in the midlatitudes.

  15. 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

  16. 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

  17. 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.

  18. 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.

  19. 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.

  20. Computer Simulation and Modeling of CO2 Removal Systems for Exploration 2013-2014

    Science.gov (United States)

    Coker, R.; Knox, J.; Gomez, C.

    2015-01-01

    The Atmosphere Revitalization Recovery and Environmental Monitoring (ARREM) project was initiated in September of 2011 as part of the Advanced Exploration Systems (AES) program. Under the ARREM project and the follow-on Life Support Systems (LSS) project, testing of sub-scale and full-scale systems has been combined with multiphysics computer simulations for evaluation and optimization of subsystem approaches. In particular, this paper will describes the testing and 1-D modeling of the combined water desiccant and carbon dioxide sorbent subsystems of the carbon dioxide removal assembly (CDRA). The goal is a full system predictive model of CDRA to guide system optimization and development.

  1. 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

  2. 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.

  3. Responses to atmospheric CO2 concentrations in crop simulation models: a review of current simple and semicomplex representations and options for model development.

    Science.gov (United States)

    Vanuytrecht, Eline; Thorburn, Peter J

    2017-05-01

    Elevated atmospheric CO 2 concentrations ([CO 2 ]) cause direct changes in crop physiological processes (e.g. photosynthesis and stomatal conductance). To represent these CO 2 responses, commonly used crop simulation models have been amended, using simple and semicomplex representations of the processes involved. Yet, there is no standard approach to and often poor documentation of these developments. This study used a bottom-up approach (starting with the APSIM framework as case study) to evaluate modelled responses in a consortium of commonly used crop models and illuminate whether variation in responses reflects true uncertainty in our understanding compared to arbitrary choices of model developers. Diversity in simulated CO 2 responses and limited validation were common among models, both within the APSIM framework and more generally. Whereas production responses show some consistency up to moderately high [CO 2 ] (around 700 ppm), transpiration and stomatal responses vary more widely in nature and magnitude (e.g. a decrease in stomatal conductance varying between 35% and 90% among models was found for [CO 2 ] doubling to 700 ppm). Most notably, nitrogen responses were found to be included in few crop models despite being commonly observed and critical for the simulation of photosynthetic acclimation, crop nutritional quality and carbon allocation. We suggest harmonization and consideration of more mechanistic concepts in particular subroutines, for example, for the simulation of N dynamics, as a way to improve our predictive understanding of CO 2 responses and capture secondary processes. Intercomparison studies could assist in this aim, provided that they go beyond simple output comparison and explicitly identify the representations and assumptions that are causal for intermodel differences. Additionally, validation and proper documentation of the representation of CO 2 responses within models should be prioritized. © 2017 John Wiley & Sons Ltd.

  4. 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.

  5. High-performance modeling of CO2 sequestration by coupling reservoir simulation and molecular dynamics

    KAUST Repository

    Bao, Kai; Yan, Mi; Lu, Ligang; Allen, Rebecca; Salam, Amgad; Jordan, Kirk E.; Sun, Shuyu

    2013-01-01

    multicomponent compositional flow simulation to handle more complicated physical process in the future. Accuracy and scalability analysis are performed on an IBM BlueGene/P and on an IBM BlueGene/Q, the latest IBM supercomputer. Results show good accuracy of our

  6. MATHEMATICAL MODELING AND SIMULATION OF SUPERCRITICAL CO2 EXTRACTION OF ZIZIPHORA TENUIOR VOLATILES

    Directory of Open Access Journals (Sweden)

    Bizhan Honarvar

    2016-01-01

    Full Text Available Ziziphora Tenuior is an edible medicinal plant which belongs to Labiatae family. It is often used as a treatment for some diseases such as edema, insomnia, and hypertension in Turkey, Iran and China. The main components of the Ziziphora Tenuior essential oil are p-mentha-3-en-8-ol and pulegone. In this study, the extractions of Ziziphora essential oil has been described by a two-dimensional mathematical model, and the effects of some extraction parameter variations on the extraction yield have been examined. Amongst the said parameters were fluid flow rate, extractor diameter and length and mean particle size.

  7. 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.

  8. 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.

  9. 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.

  10. 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.

  11. 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.

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

    OpenAIRE

    M. Madić; M. Radovanović; B. Nedić

    2013-01-01

    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 im...

  13. 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; hide

    2017-01-01

    This study assesses the ability of 21 crop models to capture the impact of elevated CO2 concentration [CO2] on maize yield and water use as measured in a 2-year Free Air Carbon dioxide Enrichment experiment conducted at the Thunen Institute in Braunschweig, Germany (Manderscheid et al. 2014). Data for ambient [CO2] and irrigated treatments were provided to the 21 models for calibrating plant traits, including weather, soil and management data as well as yield, grain number, above ground biomass, leaf area index, nitrogen concentration in biomass and grain, water use and soil water content. Models differed in their representation of carbon assimilation and evapotranspiration processes. The models reproduced the absence of yield response to elevated [CO2] under well-watered conditions, as well as the impact of water deficit at ambient [CO2], with 50 percent of models within a range of plus/minus 1 Mg ha(exp. -1) around the mean. The bias of the median of the 21 models was less than 1 Mg ha(exp. -1). However under water deficit in one of the two years, the models captured only 30 percent of the exceptionally high [CO2] enhancement on yield observed. Furthermore the ensemble of models was unable to simulate the very low soil water content at anthesis and the increase of soil water and grain number brought about by the elevated [CO2] under dry conditions. Overall, we found models with explicit stomatal control on transpiration tended to perform better. Our results highlight the need for model improvement with respect to simulating transpirational water use and its impact on water status during the kernel-set phase.

  14. Spatiotemporal variations in CO2 flux in a fringing reef simulated using a novel carbonate system dynamics model

    Science.gov (United States)

    Watanabe, A.; Yamamoto, T.; Nadaoka, K.; Maeda, Y.; Miyajima, T.; Tanaka, Y.; Blanco, A. C.

    2013-03-01

    A carbonate system dynamics (CSD) model was developed in a fringing reef on the east coast of Ishigaki Island, southwest Japan, by incorporating organic and inorganic carbon fluxes (photosynthesis and calcification), air-sea gas exchanges, and benthic cover of coral and seagrass into a three-dimensional hydrodynamic model. The CSD model could reproduce temporal variations in dissolved inorganic carbon (DIC) and total alkalinity in coral zones, but not in seagrass meadows. The poor reproduction in seagrass meadows can be attributed to significant contributions of submarine groundwater discharge as well as misclassification of remotely sensed megabenthos in this area. In comparison with offshore areas, the reef acted as a CO2 sink during the observation period when it was averaged over 24 h. The CSD model also indicated large spatiotemporal differences in the carbon dioxide (CO2) sink/source, possibly related to hydrodynamic features such as effective offshore seawater exchange and neap/spring tidal variation. This suggests that the data obtained from a single point observation may lead to misinterpretation of the overall trend and thus should be carefully considered. The model analysis also showed that the advective flux of DIC from neighboring grids is several times greater than local biological flux of DIC and is three orders of magnitude greater than the air-sea gas flux at the coral zone. Sensitivity tests in which coral or seagrass covers were altered revealed that the CO2 sink potential was much more sensitive to changes in coral cover than seagrass cover.

  15. Molecular simulations of CO2 at interfaces

    DEFF Research Database (Denmark)

    Silvestri, Alessandro

    trapping mechanisms that act over dierent time scales, where eectiveness is determined by phenomena that occur at the interfaces between CO2, pore uids and the pore surfaces. Solid theoretical understanding of the nanoscale interactions that result from the interplay of intermolecular and surface forces...... variety of conditions: pressure, temperature, pore solution salinity and various mineral surfaces. However, achieving representative subsurface conditions in experiments is challenging and reported data are aected by experimental uncertainties and sometimes are contradictory. Molecular modelling...... rock record and the formations are generally porous so their probable response to CO2 sequestration needs to be investigated. However, despite the large number of geologic sequestration publications on water{rock interactions over the last decade, studies on carbonate reservoirs remain scarce...

  16. 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.

  17. 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

  18. Modeled responses of terrestrial ecosystems to elevated atmospheric CO2: a comparison of simulations by the biogeochemistry models of the Vegetation/Ecosystem Modeling and Analysis Project (VEMAP).

    Science.gov (United States)

    Pan, Yude; Melillo, Jerry M; McGuire, A David; Kicklighter, David W; Pitelka, Louis F; Hibbard, Kathy; Pierce, Lars L; Running, Steven W; Ojima, Dennis S; Parton, William J; Schimel, David S

    1998-04-01

    Although there is a great deal of information concerning responses to increases in atmospheric CO 2 at the tissue and plant levels, there are substantially fewer studies that have investigated ecosystem-level responses in the context of integrated carbon, water, and nutrient cycles. Because our understanding of ecosystem responses to elevated CO 2 is incomplete, modeling is a tool that can be used to investigate the role of plant and soil interactions in the response of terrestrial ecosystems to elevated CO 2 . In this study, we analyze the responses of net primary production (NPP) to doubled CO 2 from 355 to 710 ppmv among three biogeochemistry models in the Vegetation/Ecosystem Modeling and Analysis Project (VEMAP): BIOME-BGC (BioGeochemical Cycles), Century, and the Terrestrial Ecosystem Model (TEM). For the conterminous United States, doubled atmospheric CO 2 causes NPP to increase by 5% in Century, 8% in TEM, and 11% in BIOME-BGC. Multiple regression analyses between the NPP response to doubled CO 2 and the mean annual temperature and annual precipitation of biomes or grid cells indicate that there are negative relationships between precipitation and the response of NPP to doubled CO 2 for all three models. In contrast, there are different relationships between temperature and the response of NPP to doubled CO 2 for the three models: there is a negative relationship in the responses of BIOME-BGC, no relationship in the responses of Century, and a positive relationship in the responses of TEM. In BIOME-BGC, the NPP response to doubled CO 2 is controlled by the change in transpiration associated with reduced leaf conductance to water vapor. This change affects soil water, then leaf area development and, finally, NPP. In Century, the response of NPP to doubled CO 2 is controlled by changes in decomposition rates associated with increased soil moisture that results from reduced evapotranspiration. This change affects nitrogen availability for plants, which

  19. A phase-field lattice Boltzmann model for simulating multiphase flows in porous media: Application and comparison to experiments of CO2 sequestration at pore scale

    Science.gov (United States)

    Fakhari, Abbas; Li, Yaofa; Bolster, Diogo; Christensen, Kenneth T.

    2018-04-01

    We implement a phase-field based lattice-Boltzmann (LB) method for numerical simulation of multiphase flows in heterogeneous porous media at pore scales with wettability effects. The present method can handle large density and viscosity ratios, pertinent to many practical problems. As a practical application, we study multiphase flow in a micromodel representative of CO2 invading a water-saturated porous medium at reservoir conditions, both numerically and experimentally. We focus on two flow cases with (i) a crossover from capillary fingering to viscous fingering at a relatively small capillary number, and (ii) viscous fingering at a relatively moderate capillary number. Qualitative and quantitative comparisons are made between numerical results and experimental data for temporal and spatial CO2 saturation profiles, and good agreement is found. In particular, a correlation analysis shows that any differences between simulations and results are comparable to intra-experimental differences from replicate experiments. A key conclusion of this work is that system behavior is highly sensitive to boundary conditions, particularly inlet and outlet ones. We finish with a discussion on small-scale flow features, such as the emergence of strong recirculation zones as well as flow in which the residual phase is trapped, including a close look at the detailed formation of a water cone. Overall, the proposed model yields useful information, such as the spatiotemporal evolution of the CO2 front and instantaneous velocity fields, which are valuable for understanding the mechanisms of CO2 infiltration at the pore scale.

  20. 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

  1. 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

  2. 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

  3. 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.

  4. 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

  5. Application of a terrestrial ecosystem model (ORCHIDEE-STICS) in simulating energy and CO2 fluxes in Asian rice croplands

    Science.gov (United States)

    Wang, X.; Piao, S.; Ciais, P.; Vuichard, N.

    2012-12-01

    Process-based terrestrial ecosystem models have shown great potentials in predicting the response of managed ecosystems to environmental changes. However, the simulated water and carbon fluxes over rice ecosystems in tropical Asia are still subject to large uncertainties, partly due to poorly constrained parameters in the models. Here, a terrestrial ecosystem model incorporating a more realistic crop module (ORCHIDEE-STICS) was calibrated against in-situ flux data and observed and remotely sensed leaf area indexes over rice ecosystems in Asia. The key parameters adjusted include maximum photosynthetic carboxylation rate (Vcmax) and electron transport rate (Vjmax), temperature sensitivity of heterotrophic respiration (Q10) and a series of critical thresholds for different crop development stages. Compared with the observations, the calibrated model more realistically simulated the seasonal and year-to-year variation of the observed water and carbon fluxes with reductions in the root mean square difference and better timing in the crop development stages. Sensitivity tests further reveal that management practices like the timing of transplanting and draining could affect the seasonal and inter-annual variation of the net carbon exchange, suggesting that the absence of explicit accounting the change of management practices in the terrestrial ecosystem models may induce large uncertainties in predicting cropland ecosystem response to future climate change.

  6. 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.

  7. 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).

  8. MODEL SIMULASI EMISI DAN PENYERAPAN CO2 DI KOTA BOGOR

    Directory of Open Access Journals (Sweden)

    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.

  9. 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

  10. Simulation and thermodynamic modeling of the extraction of tocopherol from a synthetic mixture of tocopherol, squalene and CO2

    Directory of Open Access Journals (Sweden)

    M.F. Mendes

    2000-12-01

    Full Text Available Soybean oil is the most consumed vegetable oil in the world, representing 54% of the total world production. Brazil is the second country in the world that produces and export soybean seeds, almost 20%. One of the most important by-product of the soybean oil is the deodorizer distillate, commonly known as soybean sludge. This residue is rich in many high value compounds as tocopherols, squalene and sterols. Tocopherols are the major components in the deodorized distillated due to their characteristics as an antioxidant agent. So, the objective of this work is to study the concentration of tocopherols presented in this raw material, using the operational conditions obtained from the equilibrium data and using supercritical carbon dioxide as a solvent. The deodorizer distillate is a complex mixture of more than 200 components, so a synthetic mixture was chosen to represent the deodorizer distillate. The synthetic mixture used in this work is composed by tocopherols, fatty acids and squalene. The simulation was carried out using ASPEN+ simulator and the LCVM thermodynamic model was used to correlate the available equilibrium data.

  11. 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

  12. 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...

  13. Modeling of CO2 migration injected in Weyburn oil reservoir

    International Nuclear Information System (INIS)

    Zhou Wei; Stenhouse, M.J.; Arthur, R.

    2008-01-01

    Injecting CO 2 into oil and gas field is a way to enhance oil recovery (EOR) as well as mitigate global warming effect by permanently storing the greenhouse gas into underground. This paper details the models and results of simulating the long-term migration of CO 2 injected into the Weyburn field for both Enhanced Oil Recovery operations and CO 2 sequestration. A System Model was established to define the spatial and temporal extents of the analysis. The Base Scenario was developed to identify key processes, features, and events (FEPs) for the expected evolution of the storage system. A compositional reservoir simulator with equations-of-states (EOS) was used as the modeling tool in order to simulate multiphase, multi-component flow and transport coupled with CO 2 mass partitioning into oil, gas, and water phases. We apply a deterministic treatment to CO 2 migration in the geosphere (natural pathways), whereas the variability of abandoned wells (man-made pathways) necessitates a stochastic treatment. The simulation result was then used to carry out consequence analysis to the local environment. (authors)

  14. 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

  15. Capillary filling rules and displacement mechanisms for spontaneous imbibition of CO2 for carbon storage and EOR using micro-model experiments and pore scale simulation

    Science.gov (United States)

    Chapman, E.; Yang, J.; Crawshaw, J.; Boek, E. S.

    2012-04-01

    In the 1980s, Lenormand et al. carried out their pioneering work on displacement mechanisms of fluids in etched networks [1]. Here we further examine displacement mechanisms in relation to capillary filling rules for spontaneous imbibition. Understanding the role of spontaneous imbibition in fluid displacement is essential for refining pore network models. Generally, pore network models use simple capillary filling rules and here we examine the validity of these rules for spontaneous imbibition. Improvement of pore network models is vital for the process of 'up-scaling' to the field scale for both enhanced oil recovery (EOR) and carbon sequestration. In this work, we present our experimental microfluidic research into the displacement of both supercritical CO2/deionised water (DI) systems and analogous n-decane/air - where supercritical CO2 and n-decane are the respective wetting fluids - controlled by imbibition at the pore scale. We conducted our experiments in etched PMMA and silicon/glass micro-fluidic hydrophobic chips. We first investigate displacement in single etched pore junctions, followed by displacement in complex network designs representing actual rock thin sections, i.e. Berea sandstone and Sucrosic dolomite. The n-decane/air experiments were conducted under ambient conditions, whereas the supercritical CO2/DI water experiments were conducted under high temperature and pressure in order to replicate reservoir conditions. Fluid displacement in all experiments was captured via a high speed video microscope. The direction and type of displacement the imbibing fluid takes when it enters a junction is dependent on the number of possible channels in which the wetting fluid can imbibe, i.e. I1, I2 and I3 [1]. Depending on the experiment conducted, the micro-models were initially filled with either DI water or air before the wetting fluid was injected. We found that the imbibition of the wetting fluid through a single pore is primarily controlled by the

  16. 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

  17. 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

  18. Simulation of anthropogenic CO2 uptake in the CCSM3.1 ocean circulation-biogeochemical model: comparison with data-based estimates

    Directory of Open Access Journals (Sweden)

    S. Khatiwala

    2012-04-01

    Full Text Available The global ocean has taken up a large fraction of the CO2 released by human activities since the industrial revolution. Quantifying the oceanic anthropogenic carbon (Cant inventory and its variability is important for predicting the future global carbon cycle. The detailed comparison of data-based and model-based estimates is essential for the validation and continued improvement of our prediction capabilities. So far, three global estimates of oceanic Cant inventory that are "data-based" and independent of global ocean circulation models have been produced: one based on the Δ C* method, and two that are based on constraining surface-to-interior transport of tracers, the TTD method and a maximum entropy inversion method (GF. The GF method, in particular, is capable of reconstructing the history of Cant inventory through the industrial era. In the present study we use forward model simulations of the Community Climate System Model (CCSM3.1 to estimate the Cant inventory and compare the results with the data-based estimates. We also use the simulations to test several assumptions of the GF method, including the assumption of constant climate and circulation, which is common to all the data-based estimates. Though the integrated estimates of global Cant inventories are consistent with each other, the regional estimates show discrepancies up to 50 %. The CCSM3 model underestimates the total Cant inventory, in part due to weak mixing and ventilation in the North Atlantic and Southern Ocean. Analyses of different simulation results suggest that key assumptions about ocean circulation and air-sea disequilibrium in the GF method are generally valid on the global scale, but may introduce errors in Cant estimates on regional scales. The GF method should also be used with caution when predicting future oceanic anthropogenic carbon uptake.

  19. Thermodynamic modeling of CO2 mixtures

    DEFF Research Database (Denmark)

    Bjørner, Martin Gamel

    Knowledge of the thermodynamic properties and phase equilibria of mixtures containing carbon dioxide (CO2) is important in several industrial processes such as enhanced oil recovery, carbon capture and storage, and supercritical extractions, where CO2 is used as a solvent. Despite this importance...

  20. Simulation of CO2 Injection in Porous Media with Structural Deformation Effect

    KAUST Repository

    Negara, Ardiansyah

    2011-06-18

    Carbon dioxide (CO2) sequestration is one of the most attractive methods to reduce the amount of CO2 in the atmosphere by injecting it into the geological formations. Furthermore, it is also an effective mechanism for enhanced oil recovery. Simulation of CO2 injection based on a suitable modeling is very important for explaining the fluid flow behavior of CO2 in a reservoir. Increasing of CO2 injection may cause a structural deformation of the medium. The structural deformation modeling in carbon sequestration is useful to evaluate the medium stability to avoid CO2 leakage to the atmosphere. Therefore, it is important to include such effect into the model. The purpose of this study is to simulate the CO2 injection in a reservoir. The numerical simulations of two-phase flow in homogeneous and heterogeneous porous media are presented. Also, the effects of gravity and capillary pressure are considered. IMplicit Pressure Explicit Saturation (IMPES) and IMplicit Pressure-Displacements and an Explicit Saturation (IMPDES) schemes are used to solve the problems under consideration. Various numerical examples were simulated and divided into two parts of the study. The numerical results demonstrate the effects of buoyancy and capillary pressure as well as the permeability value and its distribution in the domain. Some conclusions that could be derived from the numerical results are the buoyancy of CO2 is driven by the density difference, the CO2 saturation profile (rate and distribution) are affected by the permeability distribution and its value, and the displacements of the porous medium go to constant values at least six to eight months (on average) after injection. Furthermore, the simulation of CO2 injection provides intuitive knowledge and a better understanding of the fluid flow behavior of CO2 in the subsurface with the deformation effect of the porous medium.

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

    Directory of Open Access Journals (Sweden)

    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.

  2. 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

  3. A Polarizable and Transferable PHAST CO 2 Potential for Materials Simulation

    KAUST Repository

    Mullen, Ashley L.

    2013-12-10

    Reliable PHAST (Potentials with High Accuracy Speed and Transferability) intermolecular potential energy functions for CO2 have been developed from first principles for use in heterogeneous systems, including one with explicit polarization. The intermolecular potentials have been expressed in a transferable form and parametrized from nearly exact electronic structure calculations. Models with and without explicit many-body polarization effects, known to be important in simulation of interfacial processes, are constructed. The models have been validated on pressure-density isotherms of bulk CO 2 and adsorption in three metal-organic framework (MOF) materials. The present models appear to offer advantages over high quality fluid/liquid state potentials in describing CO2 interactions in interfacial environments where sorbates adopt orientations not commonly explored in bulk fluids. Thus, the nonpolar CO2-PHAST and polarizable CO 2-PHAST* potentials are recommended for materials/interfacial simulations. © 2013 American Chemical Society.

  4. Modeling the transformation of atmospheric CO2 into microalgal biomass.

    Science.gov (United States)

    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

  5. 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...

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

    Directory of Open Access Journals (Sweden)

    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.

  7. A model for estimating CO2 solubility in aqueous alkanolamines

    DEFF Research Database (Denmark)

    Gabrielsen, Jostein; Michelsen, Michael Locht; Stenby, Erling Halfdan

    2005-01-01

    of CO2 over an aqueous alkanolamine solution. Accurate values for the partial pressure of CO2 are obtained for a limited loading, temperature, and pressure range that is useful in modeling CO2 capture from coal-fired power plants. Heat of absorption values derived from the model agree with experimental...

  8. 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

  9. 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

  10. Modeling CO2-facilitated transport across a diethanolamine liquid membrane

    Energy Technology Data Exchange (ETDEWEB)

    Lihong Bao; Michael C. Trachtenberg [Carbozyme Inc., Monmouth Junction, NJ (United States)

    2005-12-15

    We compared experimental and model data for the facilitated transport of CO2 from a CO2-air mixture across an aqueous solution of diethanolamine (DEA) via a hollow fiber, contained liquid membrane (HFCLM) permeator. A two-step carbamate formation model was devised to analyze the data instead of the one-step mechanism used by previous investigators. The effects of DEA concentration, liquid membrane thickness and feed CO2 concentration were also studied. With a 20% (wt) DEA liquid membrane and feed of 15% CO2 in CO2-air mixture at atmosphere pressure, the permeance reached 1.51E-8 mol/m{sup 2} s Pa with a CO2/N2 selectivity of 115. Model predictions compared well with the experimental results at CO2 concentrations of industrial importance. Short-term stability of the HFCLM permeator performance was examined. The system was stable during 5-days of testing.

  11. 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.

  12. Large Eddy Simulation of Supercritical CO2 Through Bend Pipes

    Science.gov (United States)

    He, Xiaoliang; Apte, Sourabh; Dogan, Omer

    2017-11-01

    Supercritical Carbon Dioxide (sCO2) is investigated as working fluid for power generation in thermal solar, fossil energy and nuclear power plants at high pressures. Severe erosion has been observed in the sCO2 test loops, particularly in nozzles, turbine blades and pipe bends. It is hypothesized that complex flow features such as flow separation and property variations may lead to large oscillations in the wall shear stresses and result in material erosion. In this work, large eddy simulations are conducted at different Reynolds numbers (5000, 27,000 and 50,000) to investigate the effect of heat transfer in a 90 degree bend pipe with unit radius of curvature in order to identify the potential causes of the erosion. The simulation is first performed without heat transfer to validate the flow solver against available experimental and computational studies. Mean flow statistics, turbulent kinetic energy, shear stresses and wall force spectra are computed and compared with available experimental data. Formation of counter-rotating vortices, named Dean vortices, are observed. Secondary flow pattern and swirling-switching flow motions are identified and visualized. Effects of heat transfer on these flow phenomena are then investigated by applying a constant heat flux at the wall. DOE Fossil Energy Crosscutting Technology Research Program.

  13. 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)

  14. 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.

  15. 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

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

    Directory of Open Access Journals (Sweden)

    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.

  17. CO2/ brine substitution experiments at simulated reservoir conditions

    Science.gov (United States)

    Kummerow, Juliane; Spangenberg, Erik

    2015-04-01

    Capillary properties of rocks affect the mobility of fluids in a reservoir. Therefore, the understanding of the capillary pressure behaviour is essential to assess the long-term behaviour of CO2 reservoirs. Beyond this, a calibration of the petrophysical properties on water saturation of reservoir rocks at simulated in situ conditions is crucial for a proper interpretation of field monitoring data. We present a set-up, which allows for the combined measurements of capillary pressure, electric resistivity, and elastic wave velocities under controlled reservoir conditions (pconf = 400 bar, ppore = 180 bar, T = 65 ° C) at different brine-CO2 saturations. The capillary properties of the samples are measured using the micropore membrane technique. The sample is jacketed with a Viton tube (thickness = 4 mm) and placed between two current electrode endcaps, which as well contain pore fluid ports and ultrasonic P and S wave transducers. Between the sample and the lower endcap the hydrophilic semi-permeable micro-pore membrane (pore size = 100 nm) is integrated. It is embedded into filter papers to establish a good capillary contact and to protect the highly sensitive membrane against mechanical damage under load. Two high-precision syringe pumps are used to displace a quantified volume of brine by CO2 and determine the corresponding sample saturation. The fluid displacement induces a pressure gradient along the sample, which corresponds to the capillary pressure at a particular sample saturation. It is measured with a differential pressure sensor in the range between 0 - 0.2 MPa. Drainage and imbibition cycles are performed to provide information on the efficiency of capillary trapping and to get a calibration of the petrophysical parameters of the sample.

  18. 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.

  19. 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.

  20. 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

  1. Modeling of CO2 absorber using an AMP solution

    DEFF Research Database (Denmark)

    Gabrielsen, Jostein; Michelsen, Michael Locht; Stenby, Erling Halfdan

    2006-01-01

    Abstract: An explicit model for carbon dioxide (CO2) solubility in an aqueous solution of 2-amino-2-methyl-1-propanol (AMP) has been proposed and an expression for the heat of absorption of CO2 has been developed as a function of loading and temperature. A rate-based steady-state model for CO2...... to absorption of CO2 into an AMP solution in a packed tower and validated against pilot-plant data from the literature. (c) 2006 American Institute of Chemical Engineers....... absorption into an AMP solution has been proposed, using both the proposed expression for the CO2 solubility and the expression for the heat of absorption along with an expression for the enhancement factor and physicochemical data from the literature. The proposed model has successfully been applied...

  2. Modeling canopy CO2 exchange in the European Russian Arctic

    DEFF Research Database (Denmark)

    Kiepe, Isabell; Friborg, Thomas; Herbst, Mathias

    2013-01-01

    In this study, we use the coupled photosynthesis-stomatal conductance model of Collatz et al. (1991) to simulate the current canopy carbon dioxide exchange of a heterogeneous tundra ecosystem in European Russia. For the parameterization, we used data obtained from in situ leaf level measurements...... in combination with meteorological data from 2008. The modeled CO2 fluxes were compared with net ecosystem exchange (NEE), measured by the eddy covariance technique during the snow-free period in 2008. The findings from this study indicated that the main state parameters of the exchange processes were leaf area...... index (LAI) and Rubisco capacity (v(cmax)). Furthermore, this ecosystem was found to be functioning close to its optimum temperature regarding carbon accumulation rates. During the modeling period from May to October, the net assimilation was greater than the respiration, leading to a net accumulation...

  3. 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.

  4. 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

    Directory of Open Access Journals (Sweden)

    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.

  5. Modelling CO2-Brine Interfacial Tension using Density Gradient Theory

    KAUST Repository

    Ruslan, Mohd Fuad Anwari Che

    2018-01-01

    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

  6. Impact of the use of a CO2 responsive land surface model in simulating the effect of climate change on the hydrology of French Mediterranean basins

    Science.gov (United States)

    Queguiner, S.; Martin, E.; Lafont, S.; Calvet, J.-C.; Faroux, S.; Quintana-Seguí, P.

    2011-10-01

    In order to evaluate the uncertainty associated with the impact model in climate change studies, a CO2 responsive version of the land surface model ISBA (ISBA-A-gs) is compared with its standard version in a climate impact assessment study. The study is performed over the French Mediterranean basin using the Safran-Isba-Modcou chain. A downscaled A2 regional climate scenario is used to force both versions of ISBA, and the results of the two land surface models are compared for the present climate and for that at the end of the century. Reasonable agreement is found between models and with discharge observations. However, ISBA-A-gs has a lower mean evapotranspiration and a higher discharge than ISBA-Standard. Results for the impact of climate change are coherent on a yearly basis for evapotranspiration, total runoff, and discharge. However, the two versions of ISBA present contrasting seasonal variations. ISBA-A-gs develops a different vegetation cycle. The growth of the vegetation begins earlier and reaches a slightly lower maximum than in the present climate. This maximum is followed by a rapid decrease in summertime. In consequence, the springtime evapotranspiration is significantly increased when compared to ISBA-Standard, while the autumn evapotranspiration is lower. On average, discharge changes are more significant at the regional scale with ISBA-A-gs.

  7. 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....

  8. 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.

  9. 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.

  10. Transient modeling of electrochemically assisted CO2 capture and release

    DEFF Research Database (Denmark)

    Singh, Shobhana; Stechel, Ellen B.; Buttry, Daniel A.

    2017-01-01

    to analyze the time-dependent behavior of CO2 capture and electro-migration transport across the cell length. Given high nonlinearity of the system, we used a finite element method (FEM) to numerically solve the coupled mass transport equations. The model describes the concentration profiles by taking......The present work aims to develop a model of a new electrochemical CO2 separation and release technology. We present a one-dimensional transient model of an electrochemical cell for point source CO2 capture and release, which mainly focuses on the simultaneous mass transport and complex chemical...... reactions associated with the separation process. For concreteness, we use an ionic liquid (IL) with 2 M thiolate anion (RS−) in 1 M disulfide (RSSR) as an electrolyte in the electrochemical cell to capture, transport and release CO2 under standard operating conditions. We computationally solved the model...

  11. Grey forecasting model for CO2 emissions: A Taiwan study

    International Nuclear Information System (INIS)

    Lin, Chiun-Sin; Liou, Fen-May; Huang, Chih-Pin

    2011-01-01

    Highlights: → CO 2 is the most frequently implicated in global warming. → The CARMA indicates that the Taichung coal-fired power plants had the highest CO 2 emissions in the world. → GM(1,1) prediction accuracy is fairly high. → The results show that the average residual error of the GM(1,1) was below 10%. -- Abstract: Among the various greenhouse gases associated with climate change, CO 2 is the most frequently implicated in global warming. The latest data from Carbon Monitoring for Action (CARMA) shows that the coal-fired power plant in Taichung, Taiwan emitted 39.7 million tons of CO 2 in 2007 - the highest of any power plant in the world. Based on statistics from Energy International Administration, the annual CO 2 emissions in Taiwan have increased 42% from 1997 until 2006. Taiwan has limited natural resources and relies heavily on imports to meet its energy needs, and the government must take serious measures control energy consumption to reduce CO 2 emissions. Because the latest data was from 2009, this study applied the grey forecasting model to estimate future CO 2 emissions in Taiwan from 2010 until 2012. Forecasts of CO 2 emissions in this study show that the average residual error of the GM(1,1) was below 10%. Overall, the GM(1,1) predicted further increases in CO 2 emissions over the next 3 years. Although Taiwan is not a member of the United Nations and is not bound by the Kyoto Protocol, the findings of this study provide a valuable reference with which the Taiwanese government could formulate measures to reduce CO 2 emissions by curbing the unnecessary the consumption of energy.

  12. Evaluation of Deep Learning Models for Predicting CO2 Flux

    Science.gov (United States)

    Halem, M.; Nguyen, P.; Frankel, D.

    2017-12-01

    Artificial neural networks have been employed to calculate surface flux measurements from station data because they are able to fit highly nonlinear relations between input and output variables without knowing the detail relationships between the variables. However, the accuracy in performing neural net estimates of CO2 flux from observations of CO2 and other atmospheric variables is influenced by the architecture of the neural model, the availability, and complexity of interactions between physical variables such as wind, temperature, and indirect variables like latent heat, and sensible heat, etc. We evaluate two deep learning models, feed forward and recurrent neural network models to learn how they each respond to the physical measurements, time dependency of the measurements of CO2 concentration, humidity, pressure, temperature, wind speed etc. for predicting the CO2 flux. In this paper, we focus on a) building neural network models for estimating CO2 flux based on DOE data from tower Atmospheric Radiation Measurement data; b) evaluating the impact of choosing the surface variables and model hyper-parameters on the accuracy and predictions of surface flux; c) assessing the applicability of the neural network models on estimate CO2 flux by using OCO-2 satellite data; d) studying the efficiency of using GPU-acceleration for neural network performance using IBM Power AI deep learning software and packages on IBM Minsky system.

  13. [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

  14. 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

  15. 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.

  16. 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

  17. 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

  18. Laboratory simulation system, using Carcinus maenas as the model organism, for assessing the impact of CO2 leakage from sub-seabed injection and storage.

    Science.gov (United States)

    Rodríguez-Romero, Araceli; Jiménez-Tenorio, Natalia; Riba, Inmaculada; Blasco, Julián

    2016-01-01

    The capture and storage of CO2 in sub-seabed geological formations has been proposed as one of the potential options to decrease atmospheric CO2 concentrations in order to mitigate the abrupt and irreversible consequences of climate change. However, it is possible that CO2 leakages could occur during the injection and sequestration procedure, with significant repercussions for the marine environment. We investigate the effects of acidification derived from possible CO2 leakage events on the European green crab, Carcinus maenas. To this end, a lab-scale experiment involving direct release of CO2 was conducted at pH values between 7.7 and 6.15. Female crabs were exposed for 10 days to sediment collected from two different coastal areas, one with relatively uncontaminated sediment (RSP) and the other with known contaminated sediment (MZ and ML), under the pre-established seawater pH conditions. Survival rate, histopathological damage and metal (Fe, Mn, Cu, Zn, Cr, Cd and Pb) and As accumulation in gills and hepatopancreas tissue were employed as endpoints. In addition, the obtained results were compared with the results of the physico-chemical characterization of the sediments, which included the determination of the metals Fe, Mn, Cu, Zn, Cr, Pb and Cd, the metalloid As, certain polycyclic aromatic hydrocarbons (PAHs) and polychlorinated biphenyls (PCBs), as well as nonchemical sediment properties (grain size, organic carbon and total organic matter). Significant associations were observed between pH and the histological damage. Concentrations of Fe, Mn, Cr, Pb, Cd and PAHs in sediment, presented significant negative correlations with the damage to gills and hepatopancreas, and positive correlations with metal accumulation in both tissues. The results obtained in this study reveal the importance of sediment properties in the biological effects caused by possible CO2 leakage. However, a clear pattern was not observed between metal accumulation in tissues and p

  19. 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

  20. 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)

  1. European-wide simulations of croplands using an improved terrestrial biosphere model: 2. Interannual yields and anomalous CO2 fluxes in 2003

    Science.gov (United States)

    Smith, P. C.; Ciais, P.; Peylin, P.; de Noblet-Ducoudré, N.; Viovy, N.; Meurdesoif, Y.; Bondeau, A.

    2010-12-01

    Aiming at producing improved estimates of carbon source/sink spatial and interannual patterns across Europe (35% croplands), this work uses the ORCHIDEE-STICS terrestrial biosphere model including a more realistic representation of croplands, described in part 1 (Smith et al., 2010). Crop yield is derived from annual Net Primary Productivity and compared with wheat and grain maize harvest data for five European countries. Over a 34 year period, the best correlation coefficient obtained between observed and simulated yield time series is for irrigated maize in Italy (R = 0.73). In the data as well as in the model, 1976 and 2003 appear as climate anomalies causing a ≈40% yield drop in the most affected regions. Simulated interannual yield anomalies and the spatial pattern of the yield drop in 2003 are found to be more realistic than the results from ORCHIDEE with no representation of croplands. The simulated 2003 anomalous carbon source from European ecosystems to the atmosphere due to the 2003 summer heat wave is in good agreement with atmospheric inversions (0.20GtC, from May to October). The anomaly is twice too large in the ORCHIDEE alone simulation, owing to the unrealistically high exposure of herbaceous plants to the extreme summer conditions. The mechanisms linking abnormally high summer temperatures, the crop productivity drop, and significant carbon source from European ecosystems in 2003 are discussed. Overall, this study highlights the importance of accounting for the specific phenologies of crops sown both in winter and in spring and for irrigation applied to summer crops in regional/global models of the terrestrial carbon cycle.

  2. 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.; hide

    2016-01-01

    Projected global warming and population growth will reduce future water availability for agriculture. Thus, it is essential to increase the efficiency in using water to ensure crop productivity. Quantifying crop water use (WU; i.e. actual evapotranspiration) is a critical step towards this goal. Here, sixteen wheat simulation models were used to quantify sources of model uncertainty and to estimate the relative changes and variability between models for simulated WU, water use efficiency (WUE, WU per unit of grain dry mass produced), transpiration efficiency (Teff, transpiration per kg of unit of grain yield dry mass produced), grain yield, crop transpiration and soil evaporation at increased temperatures and elevated atmospheric carbon dioxide concentrations ([CO2]). The greatest uncertainty in simulating water use, potential evapotranspiration, crop transpiration and soil evaporation was due to differences in how crop transpiration was modelled and accounted for 50 of the total variability among models. The simulation results for the sensitivity to temperature indicated that crop WU will decline with increasing temperature due to reduced growing seasons. The uncertainties in simulated crop WU, and in particularly due to uncertainties in simulating crop transpiration, were greater under conditions of increased temperatures and with high temperatures in combination with elevated atmospheric [CO2] concentrations. Hence the simulation of crop WU, and in particularly crop transpiration under higher temperature, needs to be improved and evaluated with field measurements before models can be used to simulate climate change impacts on future crop water demand.

  3. 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.

  4. 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

  5. Numerical Simulation of CO2 Flooding of Coalbed Methane Considering the Fluid-Solid Coupling Effect.

    Directory of Open Access Journals (Sweden)

    Jianjun Liu

    Full Text Available CO2 flooding of coalbed methane (CO2-ECBM not only stores CO2 underground and reduces greenhouse gas emissions but also enhances the gas production ratio. This coupled process involves multi-phase fluid flow and coal-rock deformation, as well as processes such as competitive gas adsorption and diffusion from the coal matrix into fractures. A dual-porosity medium that consists of a matrix and fractures was built to simulate the flooding process, and a mathematical model was used to consider the competitive adsorption, diffusion and seepage processes and the interaction between flow and deformation. Due to the effects of the initial pressure and the differences in pressure variation during the production process, permeability changes caused by matrix shrinkage were spatially variable in the reservoir. The maximum value of permeability appeared near the production well, and the degree of rebound decreased with increasing distance from the production well.

  6. 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...

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

    Directory of Open Access Journals (Sweden)

    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.

  8. 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.

  9. 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.

  10. 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.

  11. 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

  12. 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

  13. Efficient parallel simulation of CO2 geologic sequestration in saline aquifers

    International Nuclear Information System (INIS)

    Zhang, Keni; Doughty, Christine; Wu, Yu-Shu; Pruess, Karsten

    2007-01-01

    An efficient parallel simulator for large-scale, long-term CO2 geologic sequestration in saline aquifers has been developed. The parallel simulator is a three-dimensional, fully implicit model that solves large, sparse linear systems arising from discretization of the partial differential equations for mass and energy balance in porous and fractured media. The simulator is based on the ECO2N module of the TOUGH2code and inherits all the process capabilities of the single-CPU TOUGH2code, including a comprehensive description of the thermodynamics and thermophysical properties of H2O-NaCl- CO2 mixtures, modeling single and/or two-phase isothermal or non-isothermal flow processes, two-phase mixtures, fluid phases appearing or disappearing, as well as salt precipitation or dissolution. The new parallel simulator uses MPI for parallel implementation, the METIS software package for simulation domain partitioning, and the iterative parallel linear solver package Aztec for solving linear equations by multiple processors. In addition, the parallel simulator has been implemented with an efficient communication scheme. Test examples show that a linear or super-linear speedup can be obtained on Linux clusters as well as on supercomputers. Because of the significant improvement in both simulation time and memory requirement, the new simulator provides a powerful tool for tackling larger scale and more complex problems than can be solved by single-CPU codes. A high-resolution simulation example is presented that models buoyant convection, induced by a small increase in brine density caused by dissolution of CO2

  14. CO2 Capture with Ionic Liquids : Experiments and Molecular Simulations

    NARCIS (Netherlands)

    Ramdin, M.

    2015-01-01

    In this thesis, we investigated the potential of physical ILs for CO2 capture at pre-combustion and natural gas sweetening conditions. The performance of ILs with respect to conventional solvents is assessed in terms of gas solubilities and selectivities. The work discussed in this thesis consists

  15. Membrane-assisted CO2 liquefaction: performance modelling of CO2 capture from flue gas in cement production

    NARCIS (Netherlands)

    Bouma, R.H.B.; Vercauteren, F.F.; Os, P.J. van; Goetheer, E.L.V.; Berstad, D.; Anantharaman, R.

    2017-01-01

    CEMCAP is an international R&D project under the Horizon 2020 Programme preparing the ground for the large-scale implementation of CO2 capture in the European cement industry. This paper concerns the performance modeling of membraneassisted CO2 liquefaction as a possible retrofit application for

  16. 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.

  17. 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.

  18. 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.

  19. 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

  20. 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

  1. Modeling CO2 Laser Ablative Impulse with Polymers

    International Nuclear Information System (INIS)

    Sinko, John E.; Phipps, Claude R.; Sasoh, Akihiro

    2010-01-01

    Laser ablation vaporization models have usually ignored the spatial dependence of the laser beam. Here, we consider effects from modeling using a Gaussian beam for both photochemical and photothermal conditions. The modeling results are compared to experimental and literature data for CO 2 laser ablation of the polymer polyoxymethylene under vacuum, and discussed in terms of the ablated mass areal density and momentum coupling coefficient. Extending the scope of discussion, laser ablative impulse generation research has lacked a cohesive strategy for linking the vaporization and plasma regimes. Existing models, mostly formulated for ultraviolet laser systems or metal targets, appear to be inappropriate or impractical for applications requiring CO 2 laser ablation of polymers. A recently proposed method for linking the vaporization and plasma regimes for analytical modeling is addressed here along with the implications of its use. Key control parameters are considered, along with the major propulsion parameters needed for laser ablation propulsion modeling.

  2. 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

  3. 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.

  4. Homoclinic crises in a model for the CO2 laser

    International Nuclear Information System (INIS)

    Pando L, C.L.; Cerdeira, H.A.

    1993-04-01

    We show that the four-level model for the CO 2 laser with modulated losses predicts a critical exponent close to 1/2 for the characteristic times in two homoclinic crises. In the five-dimensional Poincare map corresponding to this model, a sequential horseshoe formation due to the period three unstable orbit takes place after a region of multistability. (author). 14 refs, 4 figs

  5. 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

  6. 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.

  7. 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.

  8. 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.

  9. 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)

  10. 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.

  11. 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.

  12. 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

  13. 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

  14. 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.

  15. Regional impacts of climate change and atmospheric CO2 on future ocean carbon uptake: a multi model linear feedback analysis

    International Nuclear Information System (INIS)

    Roy, Tilla; Bopp, Laurent; Gehlen, Marion; Cadule, Patricia; Schneider, Birgit; Frolicher, Thomas L.; Segschneider, Joachim; Tjiputra, Jerry; Heinze, Christoph; Joos, Fortunat

    2011-01-01

    The increase in atmospheric CO 2 over this century depends on the evolution of the oceanic air-sea CO 2 uptake, which will be driven by the combined response to rising atmospheric CO 2 itself and climate change. Here, the future oceanic CO 2 uptake is simulated using an ensemble of coupled climate-carbon cycle models. The models are driven by CO 2 emissions from historical data and the Special Report on Emissions Scenarios (SRES) A2 high-emission scenario. A linear feedback analysis successfully separates the regional future (2010-2100) oceanic CO 2 uptake into a CO 2 -induced component, due to rising atmospheric CO 2 concentrations, and a climate-induced component, due to global warming. The models capture the observation based magnitude and distribution of anthropogenic CO 2 uptake. The distributions of the climate-induced component are broadly consistent between the models, with reduced CO 2 uptake in the sub polar Southern Ocean and the equatorial regions, owing to decreased CO 2 solubility; and reduced CO 2 uptake in the mid-latitudes, owing to decreased CO 2 solubility and increased vertical stratification. The magnitude of the climate-induced component is sensitive to local warming in the southern extra-tropics, to large freshwater fluxes in the extra-tropical North Atlantic Ocean, and to small changes in the CO 2 solubility in the equatorial regions. In key anthropogenic CO 2 uptake regions, the climate-induced component offsets the CO 2 - induced component at a constant proportion up until the end of this century. This amounts to approximately 50% in the northern extra-tropics and 25% in the southern extra-tropics and equatorial regions. Consequently, the detection of climate change impacts on anthropogenic CO 2 uptake may be difficult without monitoring additional tracers, such as oxygen. (authors)

  16. Regional impacts of climate change and atmospheric CO2 on future ocean carbon uptake: a multi model linear feedback analysis

    International Nuclear Information System (INIS)

    Roy, Tilla; Bopp, Laurent; Gehlen, Marion; Cadule, Patricia

    2011-01-01

    The increase in atmospheric CO 2 over this century depends on the evolution of the oceanic air-sea CO 2 uptake, which will be driven by the combined response to rising atmospheric CO 2 itself and climate change. Here, the future oceanic CO 2 uptake is simulated using an ensemble of coupled climate-carbon cycle models. The models are driven by CO 2 emissions from historical data and the Special Report on Emissions Scenarios (SRES) A2 high-emission scenario. A linear feedback analysis successfully separates the regional future (2010-2100) oceanic CO 2 uptake into a CO 2 -induced component, due to rising atmospheric CO 2 concentrations, and a climate-induced component, due to global warming. The models capture the observation based magnitude and distribution of anthropogenic CO 2 uptake. The distributions of the climate-induced component are broadly consistent between the models, with reduced CO 2 uptake in the sub-polar Southern Ocean and the equatorial regions, owing to decreased CO 2 solubility; and reduced CO 2 uptake in the mid latitudes, owing to decreased CO 2 solubility and increased vertical stratification. The magnitude of the climate-induced component is sensitive to local warming in the southern extra tropics, to large freshwater fluxes in the extra tropical North Atlantic Ocean, and to small changes in the CO 2 solubility in the equatorial regions. In key anthropogenic CO 2 uptake regions, the climate-induced component offsets the CO 2 - induced component at a constant proportion up until the end of this century. This amounts to approximately 50% in the northern extra tropics and 25% in the southern extra tropics and equatorial regions. Consequently, the detection of climate change impacts on anthropogenic CO 2 uptake may be difficult without monitoring additional tracers, such as oxygen. (authors)

  17. 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.

  18. 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

  19. 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

  20. Modelling distribution of evaporating CO2 in parallel minichannels

    DEFF Research Database (Denmark)

    Brix, Wiebke; Kærn, Martin Ryhl; Elmegaard, Brian

    2010-01-01

    The effects of airflow non-uniformity and uneven inlet qualities on the performance of a minichannel evaporator with parallel channels, using CO2 as refrigerant, are investigated numerically. For this purpose a one-dimensional discretised steady-state model was developed, applying well-known empi......The effects of airflow non-uniformity and uneven inlet qualities on the performance of a minichannel evaporator with parallel channels, using CO2 as refrigerant, are investigated numerically. For this purpose a one-dimensional discretised steady-state model was developed, applying well...... to maldistribution of the refrigerant and considerable capacity reduction of the evaporator. Uneven inlet ualities to the different channels show only minor effects on the refrigerant distribution and evaporator capacity as long as the channels are vertically oriented with CO2 flowing upwards. For horizontal...... channels capacity reductions are found for both non-uniform airflow and uneven inlet qualities. For horizontal minichannels the results are very similar to those obtained using R134a as refrigerant....

  1. 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

  2. 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.

  3. CO2 release experiment in the shallow subsurface at the Brackenridge Field Laboratory and numerical modeling

    Science.gov (United States)

    Yang, C.; Romanak, K.; Hovorka, S.

    2009-12-01

    Soil gas monitoring is one cost-effective approach to detect CO2 leak at geological sequestration sites. Therefore understanding CO2 gas transport in soil zones is important for detection of CO2 leaks. A field experiment of a small CO2 release was conducted at the Brackenridge Field Laboratory, the University of Texas at Austin. The field site consists of one injection well, two sensor wells and one gas station well (Figure 1). The injection well was completed with a PVC pipe to a depth of 1.1 m below surface. CO2 sensors were deployed in sensor wells about 42 cm from the injection well at depths of 1.1 m having no subsurface PVC pipes but only a PVC protector cap at the surface. The gas monitoring station about 72 cm away from the injection well contains 3 copper tubes each set at different depths in sand pack isolated with bentonite clay. The CO2 release experiment started on March 4, 2009. A total 36.76 liters of CO2 were injected at 1 m depth at a rate of 100 ml/minute for 6 hours. Subsurface CO2 gas concentrations (before, during, and after the injection) were continuously monitored in sensor wells. Real-time CO2 concentrations were monitored at the gas station using an SRI 8610 gas chromatograph (GC) fitted with flame ionization detector (FID) and a thermal conductivity detector (TCD). A numerical model was constructed to simulate CO2 release experiments. The model takes into account CO2 diffusion and dissolution in pore water. Air in the pore space is assumed stagnant. Model domain consists of four soil layers and one atmospheric layer. The groundwater table is about 2.4 meters below ground surface. The model was calibrated with respect to diffusion coefficient (transport parameter) and the injection rate (mass parameter). Model results fit well with CO2 measurements at the sensor wells and the gas station. However, the calibrated injection rate underestimates measured injection rate.

  4. [Responses of Pinus tabulaeformis forest ecosystem in North China to climate change and elevated CO2: a simulation based on BIOME-BGC model and tree-ring data].

    Science.gov (United States)

    He, Jun-Jie; Peng, Xing-Yuan; Chen, Zhen-Ju; Cui, Ming-Xing; Zhang, Xian-Liang; Zhou, Chang-Hong

    2012-07-01

    Based on BIOME-BGC model and tree-ring data, a modeling study was conducted to estimate the dynamic changes of the net primary productivity (NPP) of Pinus tabulaeformis forest ecosystem in North China in 1952-2008, and explore the responses of the radial growth and NPP to regional climate warming as well as the dynamics of the NPP in the future climate change scenarios. The simulation results indicated the annual NPP of the P. tabulaeformis ecosystem in 1952-2008 fluctuated from 244.12 to 645.31 g C x m(-2) x a(-1), with a mean value of 418.6 g C x m(-2) x a(-1) The mean air temperature in May-June and the precipitation from previous August to current July were the main factors limiting the radial growth of P. tabulaeformis and the NPP of P. tabulaeformis ecosystem. In the study period, both the radial growth and the NPP presented a decreasing trend due to the regional warming and drying climate condition. In the future climate scenarios, the NPP would have positive responses to the increase of air temperature, precipitation, and their combination. The elevated CO2 would benefit the increase of the NPP, and the increment would be about 16.1% due to the CO2 fertilization. At both ecosystem and regional scales, the tree-ring data would be an ideal proxy to predict the ecosystem dynamic change, and could be used to validate and calibrate the process-based ecosystem models including BIOME-BGC.

  5. 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)

  6. 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.

  7. 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

    NARCIS (Netherlands)

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

    2011-01-01

    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

  8. 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].

  9. 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.

  10. 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

  11. 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).

  12. Numerical simulation of CO2 geological storage in saline aquifers – case study of Utsira formation

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Zheming; Agarwal, Ramesh K. [Department of Mechanical Engineering and Materials Science, Washington University, St. Louis, MO 63130 (United States)

    2013-07-01

    CO2 geological storage (CGS) is one of the most promising technologies to address the issue of excessive anthropogenic CO2 emissions in the atmosphere due to fossil fuel combustion for electricity generation. In order to fully exploit the storage potential, numerical simulations can help in determining injection strategies before the deployment of full scale sequestration in saline aquifers. This paper presents the numerical simulations of CO2 geological storage in Utsira saline formation where the sequestration is currently underway. The effects of various hydrogeological and numerical factors on the CO2 distribution in the topmost hydrogeological layer of Utsira are discussed. The existence of multiple pathways for upward mobility of CO2 into the topmost layer of Utsira as well as the performance of the top seal are also investigated.

  13. 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.

  14. 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

  15. LBA-ECO CD-01 Simulated Atmospheric Circulation, CO2 Variation, Tapajos: August 2001

    Data.gov (United States)

    National Aeronautics and Space Administration — ABSTRACT: This data set consists of a single NetCDF file containing simulated three dimensional winds and CO2 concentrations centered on the Tapajos National Forest...

  16. LBA-ECO CD-01 Simulated Atmospheric Circulation, CO2 Variation, Tapajos: August 2001

    Data.gov (United States)

    National Aeronautics and Space Administration — This data set consists of a single NetCDF file containing simulated three dimensional winds and CO2 concentrations centered on the Tapajos National Forest in Brazil...

  17. 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)

  18. [Dynamic observation, simulation and application of soil CO2 concentration: a review].

    Science.gov (United States)

    Sheng, Hao; Luo, Sha; Zhou, Ping; Li, Teng-Yi; Wang, Juan; Li, Jie

    2012-10-01

    Soil CO2 concentration is the consequences of biological activities in above- and below-ground, and its fluctuation may significantly affect the future atmospheric CO2 concentration and the projected climate change. This paper reviewed the methodologies for measuring the soil CO2 concentration in situ as well as their advantages and disadvantages, analyzed the variation patterns and controlling factors of soil CO2 concentration across the temporal (diurnal, several days, seasonal and inter-annual) and spatial (soil profile, site and landscape) scales, introduced the primary empirical and mechanical models for estimating and predicting soil CO2 concentration, and summarized the applications and constraints of soil CO2 concentration gradient in determining soil respiration. Four research priorities were proposed, i. e., to develop new techniques for collecting and determining the soil CO2 in severe soil conditions (e. g., flooding, lithoso and others), to approach the responses of soil CO2 concentration to weather change and related regulation mechanisms, to strengthen the researches on the spatial heterogeneity of soil CO2 concentration, and to expand the applications of soil CO2 concentration gradient in the measurement of tropical-subtropical soil respiration.

  19. A fully coupled finite element framework for thermal fracturing simulation in subsurface cold CO2 injection

    Directory of Open Access Journals (Sweden)

    Shunde Yin

    2018-03-01

    Simulation of thermal fracturing during cold CO2 injection involves the coupled processes of heat transfer, mass transport, rock deforming as well as fracture propagation. To model such a complex coupled system, a fully coupled finite element framework for thermal fracturing simulation is presented. This framework is based on the theory of non-isothermal multiphase flow in fracturing porous media. It takes advantage of recent advances in stabilized finite element and extended finite element methods. The stabilized finite element method overcomes the numerical instability encountered when the traditional finite element method is used to solve the convection dominated heat transfer equation, while the extended finite element method overcomes the limitation with traditional finite element method that a model has to be remeshed when a fracture is initiated or propagating and fracturing paths have to be aligned with element boundaries.

  20. 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.

  1. 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.

  2. A multinational model for CO2 reduction: defining boundaries of future CO2 emissions in nine countries

    International Nuclear Information System (INIS)

    Kram, Tom; Hill, Douglas.

    1996-01-01

    A need to make substantial future reductions in greenhouse gas emissions would require major changes in national energy systems. Nine industrialized countries have explored the technical boundaries of CO 2 emission restrictions during the next 40 to 50 years using comparable scenario assumptions and a standard model, MARKAL. Quantitative results for the countries are shown side by side in a set of energy maps that compare the least-cost evolution of the national energy systems by the main factors that contribute to CO 2 emissions. The ability to restrict future CO 2 emissions and the most cost-effective measures for doing so differ among the countries; an international agreement that would mandate substantial emission restrictions among countries by an equal percentage reduction is clearly impossible. The results are a first step toward a basis for allocating such international reductions, and the multinational process by which they were produced provides an example for further international greenhouse gas abatement costing studies. (Author)

  3. 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.

  4. Microalgal CO2 sequestering – Modeling microalgae production costs

    International Nuclear Information System (INIS)

    Bilanovic, Dragoljub; Holland, Mark; Armon, Robert

    2012-01-01

    Highlights: ► Microalgae production costs were modeled as a function of specific expenses. ► The effects of uncontrollable expenses/factors were incorporated into the model. ► Modeled microalgae production costs were in the range $102–1503 t −1 ha −1 y −1 . - Abstract: Microalgae CO 2 sequestering facilities might become an industrial reality if microalgae biomass could be produced at cost below $500.00 t −1 . We develop a model for estimation of total production costs of microalgae as a function of known production-specific expenses, and incorporate into the model the effects of uncontrollable factors which affect known production-specific expenses. Random fluctuations were intentionally incorporated into the model, consequently into generated cost/technology scenarios, because each and every logically interconnected equipment/operation that is used in design/construction/operation/maintenance of a production process is inevitably subject to random cost/price fluctuations which can neither be eliminated nor a priori controlled. A total of 152 costs/technology scenarios were evaluated to find 44 scenarios in which predicted total production costs of microalgae (PTPCM) was in the range $200–500 t −1 ha −1 y −1 . An additional 24 scenarios were found with PTCPM in the range of $102–200 t −1 ha −1 y −1 . These findings suggest that microalgae CO 2 sequestering and the production of commercial compounds from microalgal biomass can be economically viable venture even today when microalgae production technology is still far from its optimum.

  5. PmaCO2 Project: Porosity and CO2 Trapping Mechanisms The Utrillas Formation in SD-1 borehole (Tejada - Burgos): Porosity and Porous Media Modelling

    International Nuclear Information System (INIS)

    Campos, R.; Barrios, I.; Gonzalez, A. M.

    2013-02-01

    The aim of PmaCO 2 project, supported by the Secretary of State and Research MINECO (CGL2011-24768) is to increase the knowledge of the microstructure of porous storage formations and thus contribute to the viability of CO 2 sequestration in geological formations. The microporous structure plays an important role not only in the prevalence of a particular trapping mechanism, but also on the amount of CO 2 immobilized. Utrillas facies are investigated in this project as representatives of a deep saline aquifer storage. This publication is a summary of the work done in the first year of the project. We present a study on microstructure of sandstones Utrillas, sampled in borehole, by applying the mercury intrusion porosimetry technique for the experimental determination of porosity and associated parameters. The porous medium was modeled with the PoreCor simulation code based in intrusion-extrusion curves. (Author) 78 refs.

  6. 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.

  7. 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

  8. Coupled Model for CO2 Leaks from Geological Storage: Geomechanics, Fluid Flow and Phase Transitions

    Science.gov (United States)

    Gor, G.; Prevost, J.

    2013-12-01

    Deep saline aquifers are considered as a promising option for long-term storage of carbon dioxide. However, risk of CO2 leakage from the aquifers through faults, natural or induced fractures or abandoned wells cannot be disregarded. Therefore, modeling of various leakage scenarios is crucial when selecting a site for CO2 sequestration and choosing proper operational conditions. Carbon dioxide is injected into wells at supercritical conditions (t > 31.04 C, P > 73.82 bar), and these conditions are maintained in the deep aquifers (at 1-2 km depth) due to hydrostatic pressure and geothermal gradient. However, if CO2 and brine start to migrate from the aquifer upward, both pressure and temperature will decrease, and at the depth of 500-750 m, the conditions for CO2 will become subcritical. At subcritical conditions, CO2 starts boiling and the character of the flow changes dramatically due to appearance of the third (vapor) phase and latent heat effects. When modeling CO2 leaks, one needs to couple the multiphase flow in porous media with geomechanics. These capabilities are provided by Dynaflow, a finite element analysis program [1]; Dynaflow has already showed to be efficient for modeling caprock failure causing CO2 leaks [2, 3]. Currently we have extended the capabilities of Dynaflow with the phase transition module, based on two-phase and three-phase isenthalpic flash calculations [4]. We have also developed and implemented an efficient method for solving heat and mass transport with the phase transition using our flash module. Therefore, we have developed a robust tool for modeling CO2 leaks. In the talk we will give a brief overview of our method and illustrate it with the results of simulations for characteristic test cases. References: [1] J.H. Prevost, DYNAFLOW: A Nonlinear Transient Finite Element Analysis Program. Department of Civil and Environmental Engineering, Princeton University, Princeton, NJ. http://www.princeton.edu/~dynaflow/ (last update 2013

  9. 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.

  10. 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

  11. 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.

  12. 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)

  13. Simulating low frequency changes in atmospheric CO2 during the last 740 000 years

    Directory of Open Access Journals (Sweden)

    P. Köhler

    2006-01-01

    Full Text Available Atmospheric CO2 measured in Antarctic ice cores shows a natural variability of 80 to 100 ppmv during the last four glacial cycles and variations of approximately 60 ppmv in the two cycles between 410 and 650 kyr BP. We here use various paleo-climatic records from the EPICA Dome C Antarctic ice core and from oceanic sediment cores covering the last 740 kyr to force the ocean/atmosphere/biosphere box model of the global carbon cycle BICYCLE in a forward mode over this time in order to interpret the natural variability of CO2. Our approach is based on the previous interpretation of carbon cycle variations during Termination I (Köhler et al., 2005a. In the absense of a process-based sediment module one main simplification of BICYCLE is that carbonate compensation is approximated by the temporally delayed restoration of deep ocean [CO32−]. Our results match the low frequency changes in CO2 measured in the Vostok and the EPICA Dome C ice core for the last 650 kyr BP (r2≈0.75. During these transient simulations the carbon cycle reaches never a steady state due to the ongoing variability of the overall carbon budget caused by the time delayed response of the carbonate compensation to other processes. The average contributions of different processes to the rise in CO2 during Terminations I to V and during earlier terminations are: the rise in Southern Ocean vertical mixing: 36/22 ppmv, the rise in ocean temperature: 26/11 ppmv, iron limitation of the marine biota in the Southern Ocean: 20/14 ppmv, carbonate compensation: 15/7 ppmv, the rise in North Atlantic deep water formation: 13/0 ppmv, the rise in gas exchange due to a decreasing sea ice cover: −8/−7 ppmv, sea level rise: −12/−4 ppmv, and rising terrestrial carbon storage: −13/−6 ppmv. According to our model the smaller interglacial CO2 values in the pre-Vostok period prior to Termination V are mainly caused by smaller interglacial Southern Ocean SST and an Atlantic THC which stayed

  14. A simulation study on the abatement of CO2 emissions by de-absorption with monoethanolamine.

    Science.gov (United States)

    Greer, T; Bedelbayev, A; Igreja, J M; Gomes, J F; Lie, B

    2010-01-01

    Because of the adverse effect of CO2 from fossil fuel combustion on the earth's ecosystems, the most cost-effective method for CO2 capture is an important area of research. The predominant process for CO2 capture currently employed by industry is chemical absorption in amine solutions. A dynamic model for the de-absorption process was developed with monoethanolamine (MEA) solution. Henry's law was used for modelling the vapour phase equilibrium of the CO2, and fugacity ratios calculated by the Peng-Robinson equation of state (EOS) were used for H2O, MEA, N2 and O2. Chemical reactions between CO2 and MEA were included in the model along with the enhancement factor for chemical absorption. Liquid and vapour energy balances were developed to calculate the liquid and vapour temperature, respectively.

  15. System-level modeling for geological storage of CO2

    OpenAIRE

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

    2006-01-01

    One way to reduce the effects of anthropogenic greenhouse gases on climate is to inject carbon dioxide (CO2) from industrial sources into deep geological formations such as brine formations or depleted oil or gas reservoirs. Research has and is being conducted to improve understanding of factors affecting particular aspects of geological CO2 storage, such as performance, capacity, and health, safety and environmental (HSE) issues, as well as to lower the cost of CO2 capture and related p...

  16. Modelling of CO2 pipelines in dynamic CCS systems

    Science.gov (United States)

    Nimtz, M.; Klatt, M.; Krautz, H. J.

    2012-04-01

    deviations from design values. To track the effects of load changes on the system, the software program OLGA® [SPT 2011] is used. The software will give as simulation results detailed information about the dynamic changes of pressure, temperature and mass flow within the pipeline from the power plant down to the injection well and even is able to account for influences from the reservoir. The example which will be presented includes a power grid situation wherein high load changes due to fluctuating wind power induce changes in the CCS power plant load and all associated systems, especially the CO2 mass flow in the pipeline itself. Results will be discussed with regard to the design criterions of such CCS systems and the safe operation of a pipeline under high load changes to prevent critical situations that would force a stop of power plant and injection operation or other measures like a blow down of the pipeline.

  17. 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.

  18. 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.

  19. Characterisation, quantification and modelling of CO2 transport and interactions in a carbonate vadose zone: application to a CO2 diffusive leakage in a geological sequestration context

    International Nuclear Information System (INIS)

    Cohen, Gregory

    2013-01-01

    Global warming is related to atmospheric greenhouse gas concentration increase and especially anthropogenic CO 2 emissions. Geologic sequestration has the potential capacity and the longevity to significantly diminish anthropogenic CO 2 emissions. This sequestration in deep geological formation induces leakage risks from the geological reservoir. Several leakage scenarios have been imagined. Since it could continue for a long period, inducing environmental issues and risks for human, the scenario of a diffusive leakage is the most worrying. Thus, monitoring tools and protocols are needed to set up a near-surface monitoring plan. The present thesis deals with this problematic. The aims are the characterisation, the quantification and the modelling of transport and interactions of CO 2 in a carbonate unsaturated zone. This was achieved following an experimental approach on a natural pilot site in Saint-Emilion (Gironde, France), where diffusive gas leakage experiments were set up in a carbonate unsaturated zone. Different aspects were investigated during the study: natural pilot site description and instrumentation; the physical and chemical characterisation of carbonate reservoir heterogeneity; the natural functioning of the carbonate unsaturated zone and especially the set-up of a CO 2 concentrations baseline; the characterisation of gas plume extension following induced diffusive leakage in the carbonate unsaturated zone and the study of gas-water-rock interactions during a CO 2 diffusive leakage in a carbonate unsaturated zone through numerical simulations. The results show the importance of the carbonate reservoir heterogeneity characterisation as well as the sampling and analysing methods for the different phases. The baseline set-up is of main interest since it allows discrimination between the induced and the natural CO 2 concentrations variations. The transfer of CO 2 in a carbonate unsaturated zone is varying in function of physical and chemical properties

  20. 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.

  1. 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

  2. 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

  3. 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)

  4. 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.

  5. 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.

  6. 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

  7. Direct numerical simulation of heat transfer to CO2 at supercritical pressure in a vertical tube

    International Nuclear Information System (INIS)

    Bae, Joong-Hun; Yoo, Jung-Yul; Choi, Hae-Cheon

    2003-01-01

    In the present study, the turbulent heat transfer to CO 2 at supercritical pressure in a vertical tube is investigated using Direct Numerical Simulation (DNS), where no turbulence model is adopted. Heat transfer to the supercritical pressure fluids is characterized by rapid variation of thermodynamic/ thermo-physical properties in the fluids. This change in properties occurs within a very narrow range of temperature across the so-called pseudo-critical temperature, causing a peculiar behavior of heat transfer characteristics. The buoyancy effects associated with very large changes in density proved to play a major role in turbulent heat transfer to supercritical pressure fluids. Depending on the degree of buoyancy effects, turbulent heat transfer may increase or significantly decrease, resulting in a local hot spot along the wall. Based on the results of the present DNS study combined with theoretical considerations for turbulent mixed convection heat transfer, the basic mechanism of this local heat transfer deterioration is explained

  8. 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.

  9. 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

  10. 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

  11. Utilization of Integrated Assessment Modeling for determining geologic CO2 storage security

    Science.gov (United States)

    Pawar, R.

    2017-12-01

    Geologic storage of carbon dioxide (CO2) has been extensively studied as a potential technology to mitigate atmospheric concentration of CO2. Multiple international research & development efforts, large-scale demonstration and commercial projects are helping advance the technology. One of the critical areas of active investigation is prediction of long-term CO2 storage security and risks. A quantitative methodology for predicting a storage site's long-term performance is critical for making key decisions necessary for successful deployment of commercial scale projects where projects will require quantitative assessments of potential long-term liabilities. These predictions are challenging given that they require simulating CO2 and in-situ fluid movements as well as interactions through the primary storage reservoir, potential leakage pathways (such as wellbores, faults, etc.) and shallow resources such as groundwater aquifers. They need to take into account the inherent variability and uncertainties at geologic sites. This talk will provide an overview of an approach based on integrated assessment modeling (IAM) to predict long-term performance of a geologic storage site including, storage reservoir, potential leakage pathways and shallow groundwater aquifers. The approach utilizes reduced order models (ROMs) to capture the complex physical/chemical interactions resulting due to CO2 movement and interactions but are computationally extremely efficient. Applicability of the approach will be demonstrated through examples that are focused on key storage security questions such as what is the probability of leakage of CO2 from a storage reservoir? how does storage security vary for different geologic environments and operational conditions? how site parameter variability and uncertainties affect storage security, etc.

  12. 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.

  13. Biogeochemical modeling of CO2 and CH4 production in anoxic Arctic soil microcosms

    Science.gov (United States)

    Tang, Guoping; Zheng, Jianqiu; Xu, Xiaofeng; Yang, Ziming; Graham, David E.; Gu, Baohua; Painter, Scott L.; Thornton, Peter E.

    2016-09-01

    Soil organic carbon turnover to CO2 and CH4 is sensitive to soil redox potential and pH conditions. However, land surface models do not consider redox and pH in the aqueous phase explicitly, thereby limiting their use for making predictions in anoxic environments. Using recent data from incubations of Arctic soils, we extend the Community Land Model with coupled carbon and nitrogen (CLM-CN) decomposition cascade to include simple organic substrate turnover, fermentation, Fe(III) reduction, and methanogenesis reactions, and assess the efficacy of various temperature and pH response functions. Incorporating the Windermere Humic Aqueous Model (WHAM) enables us to approximately describe the observed pH evolution without additional parameterization. Although Fe(III) reduction is normally assumed to compete with methanogenesis, the model predicts that Fe(III) reduction raises the pH from acidic to neutral, thereby reducing environmental stress to methanogens and accelerating methane production when substrates are not limiting. The equilibrium speciation predicts a substantial increase in CO2 solubility as pH increases, and taking into account CO2 adsorption to surface sites of metal oxides further decreases the predicted headspace gas-phase fraction at low pH. Without adequate representation of these speciation reactions, as well as the impacts of pH, temperature, and pressure, the CO2 production from closed microcosms can be substantially underestimated based on headspace CO2 measurements only. Our results demonstrate the efficacy of geochemical models for simulating soil biogeochemistry and provide predictive understanding and mechanistic representations that can be incorporated into land surface models to improve climate predictions.

  14. 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

  15. 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

  16. Measurement and modeling of CO2 solubility in NaCl brine and CO2–saturated NaCl brine density

    DEFF Research Database (Denmark)

    Yan, Wei; Huang, Shengli; Stenby, Erling Halfdan

    2011-01-01

    over climate change and energy security. This work is an experimental and modeling study of two fundamental properties in high pressure CO2–NaCl brine equilibrium, i.e., CO2 solubility in NaCl brine and CO2–saturated NaCl brine density. A literature review of the available data was presented first...

  17. Vertically-Integrated Dual-Continuum Models for CO2 Injection in Fractured Aquifers

    Science.gov (United States)

    Tao, Y.; Guo, B.; Bandilla, K.; Celia, M. A.

    2017-12-01

    Injection of CO2 into a saline aquifer leads to a two-phase flow system, with supercritical CO2 and brine being the two fluid phases. Various modeling approaches, including fully three-dimensional (3D) models and vertical-equilibrium (VE) models, have been used to study the system. Almost all of that work has focused on unfractured formations. 3D models solve the governing equations in three dimensions and are applicable to generic geological formations. VE models assume rapid and complete buoyant segregation of the two fluid phases, resulting in vertical pressure equilibrium and allowing integration of the governing equations in the vertical dimension. This reduction in dimensionality makes VE models computationally more efficient, but the associated assumptions restrict the applicability of VE model to formations with moderate to high permeability. In this presentation, we extend the VE and 3D models for CO2 injection in fractured aquifers. This is done in the context of dual-continuum modeling, where the fractured formation is modeled as an overlap of two continuous domains, one representing the fractures and the other representing the rock matrix. Both domains are treated as porous media continua and can be modeled by either a VE or a 3D formulation. The transfer of fluid mass between rock matrix and fractures is represented by a mass transfer function connecting the two domains. We have developed a computational model that combines the VE and 3D models, where we use the VE model in the fractures, which typically have high permeability, and the 3D model in the less permeable rock matrix. A new mass transfer function is derived, which couples the VE and 3D models. The coupled VE-3D model can simulate CO2 injection and migration in fractured aquifers. Results from this model compare well with a full-3D model in which both the fractures and rock matrix are modeled with 3D models, with the hybrid VE-3D model having significantly reduced computational cost. In

  18. 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.

  19. Density-Driven Flow Simulation in Anisotropic Porous Media: Application to CO2 Geological Sequestration

    KAUST Repository

    Negara, Ardiansyah

    2014-04-21

    Carbon dioxide (CO2) sequestration in saline aquifers is considered as one of the most viable and promising ways to reduce CO2 concentration in the atmosphere. CO2 is injected into deep saline formations at supercritical state where its density is smaller than the hosting brine. This motivates an upward motion and eventually CO2 is trapped beneath the cap rock. The trapped CO2 slowly dissolves into the brine causing the density of the mixture to become larger than the host brine. This causes gravitational instabilities that is propagated and magnified with time. In this kind of density-driven flows, the CO2-rich brines migrate downward while the brines with low CO2 concentration move upward. With respect to the properties of the subsurface aquifers, there are instances where saline formations can possess anisotropy with respect to their hydraulic properties. Such anisotropy can have significant effect on the onset and propagation of flow instabilities. Anisotropy is predicted to be more influential in dictating the direction of the convective flow. To account for permeability anisotropy, the method of multipoint flux approximation (MPFA) in the framework of finite differences schemes is used. The MPFA method requires more point stencil than the traditional two-point flux approximation (TPFA). For example, calculation of one flux component requires 6-point stencil and 18-point stencil in 2-D and 3-D cases, respectively. As consequence, the matrix of coefficient for obtaining the pressure fields will be quite complex. Therefore, we combine the MPFA method with the experimenting pressure field technique in which the problem is reduced to solving multitude of local problems and the global matrix of coefficients is constructed automatically, which significantly reduces the complexity. We present several numerical scenarios of density-driven flow simulation in homogeneous, layered, and heterogeneous anisotropic porous media. The numerical results emphasize the

  20. Diffusion of CO2 Molecules in Polyethylene Terephthalate/Polylactide Blends Estimated by Molecular Dynamics Simulations

    International Nuclear Information System (INIS)

    Liao, Liqiong; Fu, Yizheng; Liang, Ziaoyan; Mei, Linyu; Liu, Yaqing

    2013-01-01

    Molecular dynamics (MD) simulations have been used to study the diffusion behavior of small gas molecules (CO 2 ) in polyethylene terephthalate (PET)/polylactide (PLA) blends. The Flory-Huggins interaction parameters (χ) determined from the cohesive energy densities are smaller than the critical value of Flory-Huggins interaction parameters (χ critical ), and that indicates the good compatibility of PET/PLA blends. The diffusion coefficients of CO 2 are determined via MD simulations at 298 K. That the order of diffusion coefficients is correlated with the availably fractional free volume (FFV) of CO 2 in the PET/PLA blends means that the FFV plays a vital role in the diffusion behavior of CO 2 molecules in PET/PLA blends. The slopes of the log (MSD) as a function of log (t) are close to unity over the entire composition range of PET/PLA blends, which confirms the feasibility of MD approach reaches the normal diffusion regime of CO 2 in PET/PLA blends

  1. The CO_2 emission permits market simulation using Continuous Double Auction

    International Nuclear Information System (INIS)

    Bartoszczuk, Pawel; Stanczak, Jaroslaw

    2016-01-01

    In this paper we consider the buying and selling prices of carbon dioxide (CO_2) emission permits in trading models with uncertainty. Permission prices, although usually omitted from standard models, may significantly influence the trading market. We thus construct a more realistic trade model. To do this, we introduced several important changes to the standard model, mainly we added The Continuous Double Action.

  2. Co2 emission scenarios for next centuries to obtain more complete simulations of the global warming

    International Nuclear Information System (INIS)

    Michelini, M.

    2001-01-01

    In the framework of a punctual Modeling of the Greenhouse Effect (report RT/ERG/2001/1) it is necessary to set CO2 Emission Scenarios for the next Centuries in order to obtain the complete evolution of the global warming. Some methodologies are described to approach such long term previsions. From the demand side, the growth of the consumes (which are affected by population and development) is correlated (supply side) with the technical-economic-environmental Evaluation of the future diffusion of classic sources (experienced in the past centuries) and of new Technologies and renewable sources. The previsions of the world population Growth are derived from the UNFPA publications. The degree of economic Development of the world Population in the very long term is obtained by simulating the Evolution of the Population across four main Areas characterized by different pro-capita consumes. Using these criteria two different Scenarios have been set-up and put into comparison with the SRES Scenarios published in the Third Assessment Report-WG1 of the IPCC. The cut at the year 2100 of the SRES Scenarios is also discussed. Simulations of the Global Warming in the long term have been performed with the two scenarios. These results are discussed together with the results of the Simulations reported by IPCC [it

  3. 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.

  4. 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

  5. A consistent and verifiable macroscopic model for the dissolution of liquid CO2 in water under hydrate forming conditions

    International Nuclear Information System (INIS)

    Radhakrishnan, R.; Demurov, A.; Trout, B.L.; Herzog, H.

    2003-01-01

    Direct injection of liquid CO 2 into the ocean has been proposed as one method to reduce the emission levels of CO 2 into the atmosphere. When liquid CO 2 is injected (normally as droplets) at ocean depths >500 m, a solid interfacial region between the CO 2 and the water is observed to form. This region consists of hydrate clathrates and hinders the rate of dissolution of CO 2 . It is, therefore, expected to have a significant impact on the injection of liquid CO 2 into the ocean. Up until now, no consistent and predictive model for the shrinking of droplets of CO 2 under hydrate forming conditions has been proposed. This is because all models proposed to date have had too many unknowns. By computing rates of the physical and chemical processes in hydrates via molecular dynamics simulations, we have been able to determine independently some of these unknowns. We then propose the most reasonable model and use it to make independent predictions of the rates of mass transfer and thickness of the hydrate region. These predictions are compared to measurements, and implications to the rates of shrinkage of CO 2 droplets under varying flow conditions are discussed. (author)

  6. Modelling plant responses to elevated CO2: how important is leaf area index?

    NARCIS (Netherlands)

    Ewert, F.

    2004-01-01

    Background and Aims The problem of increasing CO2 concentration [CO2] and associated climate change has [CO2] on plants. While variation in growth and productivity is generated much interest in modelling effects of closely related to the amount of intercepted radiation, largely determined by leaf

  7. Energy from CO2 using capacitive electrodes – A model for energy extraction cycles

    NARCIS (Netherlands)

    Paz-García, J.M.; Dykstra, J.E.; Biesheuvel, P.M.; Hamelers, H.V.M.

    2015-01-01

    A model is presented for the process of harvesting electrical energy from CO2 emissions using capacitive cells. The principle consists of controlling the mixing process of a concentrated CO2 gas stream with a dilute CO2 gas stream (as, for example, exhaust gas and air), thereby converting part of

  8. 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)

  9. PVTxy properties of CO2 mixtures relevant for CO2 capture, transport and storage: Review of available experimental data and theoretical models

    International Nuclear Information System (INIS)

    Li, Hailong; Jakobsen, Jana P.; Wilhelmsen, Oivind; Yan, Jinyue

    2011-01-01

    Highlights: → Accurate knowledge about the thermodynamic properties of CO 2 is essential in the design and operation of CCS systems. → Experimental data about the phase equilibrium and density of CO 2 -mixtures have been reviewed. → Equations of state have been reviewed too regarding CO 2 -mixtures. None has shown any clear advantage in CCS applications. → Identified knowledge gaps suggest to conducting more experiments and developing novel models. -- Abstract: The knowledge about pressure-volume-temperature-composition (PVTxy) properties plays an important role in the design and operation of many processes involved in CO 2 capture and storage (CCS) systems. A literature survey was conducted on both the available experimental data and the theoretical models associated with the thermodynamic properties of CO 2 mixtures within the operation window of CCS. Some gaps were identified between available experimental data and requirements of the system design and operation. The major concerns are: for the vapour-liquid equilibrium, there are no data about CO 2 /COS and few data about the CO 2 /N 2 O 4 mixture. For the volume property, there are no published experimental data for CO 2 /O 2 , CO 2 /CO, CO 2 /N 2 O 4 , CO 2 /COS and CO 2 /NH 3 and the liquid volume of CO 2 /H 2 . The experimental data available for multi-component CO 2 mixtures are also scarce. Many equations of state are available for thermodynamic calculations of CO 2 mixtures. The cubic equations of state have the simplest structure and are capable of giving reasonable results for the PVTxy properties. More complex equations of state such as Lee-Kesler, SAFT and GERG typically give better results for the volume property, but not necessarily for the vapour-liquid equilibrium. None of the equations of state evaluated in the literature show any clear advantage in CCS applications for the calculation of all PVTxy properties. A reference equation of state for CCS should, thus, be a future goal.

  10. Validation on wheat response to irrigation, CO2 and nitrogen fertilization in the Community Land Model

    Science.gov (United States)

    Lu, Y.

    2016-12-01

    Wheat is a staple crop for global food security, and is the dominant vegetation cover for a significant fraction of earth's croplands. As such, it plays an important role in soil carbon balance, and land-atmosphere interactions in these key regions. Understanding whether the Community Land Model (CLM) appropriate response to elevated CO2 and different levels of nitrogen fertilization and irrigation is a crucial question. We participated the AgMIP-wheat project and run 72 simulations at Maricopa spring wheat FACE sites and five winter wheat sites in North America forcing with site observed meteorology data. After calibration on the phenology, carbon allocation, and soil hydrology parameters, wheat in CLM45 has reasonable response to irrigation and elevated CO2. However, wheat in CLM45 has no response to low or high N fertilization because the low amount of N fertilization is sufficient for wheat growth in CLM45. We plan to further extend the same simulations for CLM5 (will release in Fall 2016), which has substantial improvements on soil hydrology (improved soil evaporation and plant hydraulic parameterization) and nitrogen dynamics (flexible leaf CN ratio and Vcmax25, plant pays for carbon to get nitrogen). We will evaluate the uncertainties of wheat response to nitrogen fertilization, irrigation, CO2 due to model improvements.

  11. High-Throughput Molecular Simulations of Metal Organic Frameworks for CO2 Separation: Opportunities and Challenges

    Directory of Open Access Journals (Sweden)

    Ilknur Erucar

    2018-02-01

    Full Text Available Metal organic frameworks (MOFs have emerged as great alternatives to traditional nanoporous materials for CO2 separation applications. MOFs are porous materials that are formed by self-assembly of transition metals and organic ligands. The most important advantage of MOFs over well-known porous materials is the possibility to generate multiple materials with varying structural properties and chemical functionalities by changing the combination of metal centers and organic linkers during the synthesis. This leads to a large diversity of materials with various pore sizes and shapes that can be efficiently used for CO2 separations. Since the number of synthesized MOFs has already reached to several thousand, experimental investigation of each MOF at the lab-scale is not practical. High-throughput computational screening of MOFs is a great opportunity to identify the best materials for CO2 separation and to gain molecular-level insights into the structure–performance relationships. This type of knowledge can be used to design new materials with the desired structural features that can lead to extraordinarily high CO2 selectivities. In this mini-review, we focused on developments in high-throughput molecular simulations of MOFs for CO2 separations. After reviewing the current studies on this topic, we discussed the opportunities and challenges in the field and addressed the potential future developments.

  12. High-throughput Molecular Simulations of MOFs for CO2 Separation: Opportunities and Challenges

    Science.gov (United States)

    Erucar, Ilknur; Keskin, Seda

    2018-02-01

    Metal organic frameworks (MOFs) have emerged as great alternatives to traditional nanoporous materials for CO2 separation applications. MOFs are porous materials that are formed by self-assembly of transition metals and organic ligands. The most important advantage of MOFs over well-known porous materials is the possibility to generate multiple materials with varying structural properties and chemical functionalities by changing the combination of metal centers and organic linkers during the synthesis. This leads to a large diversity of materials with various pore sizes and shapes that can be efficiently used for CO2 separations. Since the number of synthesized MOFs has already reached to several thousand, experimental investigation of each MOF at the lab-scale is not practical. High-throughput computational screening of MOFs is a great opportunity to identify the best materials for CO2 separation and to gain molecular-level insights into the structure-performance relationships. This type of knowledge can be used to design new materials with the desired structural features that can lead to extraordinarily high CO2 selectivities. In this mini-review, we focused on developments in high-throughput molecular simulations of MOFs for CO2 separations. After reviewing the current studies on this topic, we discussed the opportunities and challenges in the field and addressed the potential future developments.

  13. 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.

  14. Wine ethanol 14C as a tracer for fossil fuel CO2 emissions in Europe: Measurements and model comparison

    Science.gov (United States)

    Palstra, Sanne W. L.; Karstens, Ute; Streurman, Harm-Jan; Meijer, Harro A. J.

    2008-11-01

    14C (radiocarbon) in atmospheric CO2 is the most direct tracer for the presence of fossil-fuel-derived CO2 (CO2-ff). We demonstrate the 14C measurement of wine ethanol as a way to determine the relative regional atmospheric CO2-ff concentration compared to a background site ("regional CO2-ff excess") for specific harvest years. The carbon in wine ethanol is directly back traceable to the atmospheric CO2 that the plants assimilate. An important advantage of using wine is that the atmosphere can be monitored annually back in time. We have analyzed a total of 165 wines, mainly from harvest years 1990-1993 and 2003-2004, among which is a semicontinuous series (1973-2004) of wines from one vineyard in southwest Germany. The results show clear spatial and temporal variations in the regional CO2-ff excess values. We have compared our measured regional CO2-ff excess values of 2003 and 2004 with those simulated by the REgional MOdel (REMO). The model results show a bias of almost +3 parts per million (ppm) CO2-ff compared with those of the observations. The modeled differences between 2003 and 2004, however, which can be used as a measure for the variability in atmospheric mixing and transport processes, show good agreement with those of the observations all over Europe. Correcting for interannual variations using modeled data produces a regional CO2-ff excess signal that is potentially useful for the verification of trends in regional fossil fuel consumption. In this fashion, analyzing 14C from wine ethanol offers the possibility to observe fossil fuel emissions back in time on many places in Europe and elsewhere.

  15. Aspen HYSYS process simulation and Aspen ICARUS cost estimation of CO2 removal plant

    OpenAIRE

    Vozniuk, Ievgeniia Oleksandrivna

    2010-01-01

    An Aspen HYSYS model of CO2 removal was developed and modified with a split-stream configuration in order to reduce energy consumption in the reboiler. The model has been calculated with variation of parameters to optimize the process and find an optimum solution. For the selected base cases the heat exchanger minimum temperature difference was specified to 10K and the removal efficiency was 85%. The reboiler duty of 3.8 MJ/kg CO2 removed for the standard process without split-stream was ...

  16. 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.

  17. 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

  18. Analytical model for screening potential CO2 repositories

    Science.gov (United States)

    Okwen, R.T.; Stewart, M.T.; Cunningham, J.A.

    2011-01-01

    Assessing potential repositories for geologic sequestration of carbon dioxide using numerical models can be complicated, costly, and time-consuming, especially when faced with the challenge of selecting a repository from a multitude of potential repositories. This paper presents a set of simple analytical equations (model), based on the work of previous researchers, that could be used to evaluate the suitability of candidate repositories for subsurface sequestration of carbon dioxide. We considered the injection of carbon dioxide at a constant rate into a confined saline aquifer via a fully perforated vertical injection well. The validity of the analytical model was assessed via comparison with the TOUGH2 numerical model. The metrics used in comparing the two models include (1) spatial variations in formation pressure and (2) vertically integrated brine saturation profile. The analytical model and TOUGH2 show excellent agreement in their results when similar input conditions and assumptions are applied in both. The analytical model neglects capillary pressure and the pressure dependence of fluid properties. However, simulations in TOUGH2 indicate that little error is introduced by these simplifications. Sensitivity studies indicate that the agreement between the analytical model and TOUGH2 depends strongly on (1) the residual brine saturation, (2) the difference in density between carbon dioxide and resident brine (buoyancy), and (3) the relationship between relative permeability and brine saturation. The results achieved suggest that the analytical model is valid when the relationship between relative permeability and brine saturation is linear or quasi-linear and when the irreducible saturation of brine is zero or very small. ?? 2011 Springer Science+Business Media B.V.

  19. A methodology for the geological and numerical modelling of CO2 storage in deep saline formations

    Science.gov (United States)

    Guandalini, R.; Moia, F.; Ciampa, G.; Cangiano, C.

    2009-04-01

    Several technological options have been proposed to stabilize and reduce the atmospheric concentrations of CO2 among which the most promising are the CCS technologies. The remedy proposed for large stationary CO2 sources as thermoelectric power plants is to separate the flue gas, capturing CO2 and to store it into deep subsurface geological formations. In order to support the identification of potential CO2 storage reservoirs in Italy, the project "Identification of Italian CO2 geological storage sites", financed by the Ministry of Economic Development with the Research Fund for the Italian Electrical System under the Contract Agreement established with the Ministry Decree of march 23, 2006, has been completed in 2008. The project involves all the aspects related to the selection of potential storage sites, each carried out in a proper task. The first task has been devoted to the data collection of more than 6800 wells, and their organization into a geological data base supported by GIS, of which 1911 contain information about the nature and the thickness of geological formations, the presence of fresh, saline or brackish water, brine, gas and oil, the underground temperature, the seismic velocity and electric resistance of geological materials from different logs, the permeability, porosity and geochemical characteristics. The goal of the second task was the set up of a numerical modelling integrated tool, that is the in order to allow the analysis of a potential site in terms of the storage capacity, both from solubility and mineral trapping points of view, in terms of risk assessment and long-term storage of CO2. This tool includes a fluid dynamic module, a chemical module and a module linking a geomechanical simulator. Acquirement of geological data, definition of simulation parameter, run control and final result analysis can be performed by a properly developed graphic user interface, fully integrated and calculation platform independent. The project is then

  20. 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

  1. 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.

  2. Modeling Diffusion and Buoyancy-Driven Convection with Application to Geological CO2 Storage

    KAUST Repository

    Allen, Rebecca

    2015-04-01

    ABSTRACT Modeling Diffusion and Buoyancy-Driven Convection with Application to Geological CO2 Storage Rebecca Allen Geological CO2 storage is an engineering feat that has been undertaken around the world for more than two decades, thus accurate modeling of flow and transport behavior is of practical importance. Diffusive and convective transport are relevant processes for buoyancy-driven convection of CO2 into underlying fluid, a scenario that has received the attention of numerous modeling studies. While most studies focus on Darcy-scale modeling of this scenario, relatively little work exists at the pore-scale. In this work, properties evaluated at the pore-scale are used to investigate the transport behavior modeled at the Darcy-scale. We compute permeability and two different forms of tortuosity, namely hydraulic and diffusive. By generating various pore ge- ometries, we find hydraulic and diffusive tortuosity can be quantitatively different in the same pore geometry by up to a factor of ten. As such, we emphasize that these tortuosities should not be used interchangeably. We find pore geometries that are characterized by anisotropic permeability can also exhibit anisotropic diffusive tortuosity. This finding has important implications for buoyancy-driven convection modeling; when representing the geological formation with an anisotropic permeabil- ity, it is more realistic to also account for an anisotropic diffusivity. By implementing a non-dimensional model that includes both a vertically and horizontally orientated 5 Rayleigh number, we interpret our findings according to the combined effect of the anisotropy from permeability and diffusive tortuosity. In particular, we observe the Rayleigh ratio may either dampen or enhance the diffusing front, and our simulation data is used to express the time of convective onset as a function of the Rayleigh ratio. Also, we implement a lattice Boltzmann model for thermal convective flows, which we treat as an analog for

  3. 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

  4. 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...

  5. Modelling forest growth and carbon storage in response to increasing CO2 and temperature

    Science.gov (United States)

    Kirschbaum, Miko U. F.

    1999-11-01

    The response of plant growth to increasing climate change remains one of the unresolved issues in understanding the future of the terrestrial biosphere. It was investigated here by using the comprehensive forest growth model CenW 1.0.5 which integrates routines for the fluxes of carbon and water, interception of radiation and the cycling of nutrients. It was run with water and/or nutrient limitations on a background of naturally observed climate at Canberra, Australia. It was parameterised for Pinus radiata, the commercially most important plantation species in Australia. The simulations showed that under water-limited conditions, forest growth was highly sensitive to doubling CO2,with growth increases of over 50% on average and even greater increases in dry years. In contrast, when water supply was adequate, but nutrients were limiting, growth increases were smaller, with an initial increase of about 15% during the first year after CO2 was doubled. This growth increase diminished further over subsequent years so that after 20years, there was virtually no remaining effect. This diminishing response was due to developing nutrient limitations caused by extra carbon input which immobilised nutrients in the soil. When both water and nutrients were adequate, growth was increased by about 15 20% with no decrease over time. Increasing ambient temperature had a positive effect on growth under nutrient limited conditions by stimulating nitrogen mineralisation rates, but had very little effect when nutrients were non-limiting. Responses were qualitatively similar when conditions were changed gradually. In response to increasing CO2 by 2µmol mol1year1 over 50years, growth was increased by only 1% under nutrient-limited condition but by 16% under water-limited conditions. When temperature and CO2 were both changed to emulate conditions between 1950 and 2030, growth was enhanced between 5 and 15% over the 80-year period due to the effect of CO2 on photosynthesis and water

  6. Multiphase, multicomponent simulations and experiments of reactive flow, relevant for combining geologic CO2 sequestration with geothermal energy capture

    Science.gov (United States)

    Saar, Martin O.

    2011-11-01

    Understanding the fluid dynamics of supercritical carbon dioxide (CO2) in brine- filled porous media is important for predictions of CO2 flow and brine displacement during geologic CO2 sequestration and during geothermal energy capture using sequestered CO2 as the subsurface heat extraction fluid. We investigate multiphase fluid flow in porous media employing particle image velocimetry experiments and lattice-Boltzmann fluid flow simulations at the pore scale. In particular, we are interested in the motion of a drop (representing a CO2 bubble) through an orifice in a plate, representing a simplified porous medium. In addition, we study single-phase/multicomponent reactive transport experimentally by injecting water with dissolved CO2 into rocks/sediments typically considered for CO2 sequestration to investigate how resultant fluid-mineral reactions modify permeability fields. Finally, we investigate numerically subsurface CO2 and heat transport at the geologic formation scale.

  7. A simulation method for the rapid screening of potential depleted oil reservoirs for CO2 sequestration

    International Nuclear Information System (INIS)

    Bossie-Codreanu, D.; Le Gallo, Y.

    2004-01-01

    The reduction of greenhouse gases emission is a growing concern of many industries. The oil and gas industry has a long commercial practice of gas injection, enhanced oil recovery (EOR) and gas storage. Using a depleted oil or gas reservoir for CO 2 storage has several interesting advantages. The long-term risk analysis of the CO 2 behavior and its impact on the environment is a major concern. That is why the selection of an appropriate reservoir is crucial to the success of a sequestration operation. Our modeling study, based on a synthetic reservoir, quantifies uncertainties due to reservoir parameters in order to establish a set of guidelines to select the most appropriate depleted reservoirs. Several production and sequestration scenarios are investigated in order to quantify key parameter for CO 2 storage. The influence of parameters such as API gravity, heterogeneity (Dykstra-Parson coefficient), pressure support (water injection) and cap rock integrity are analyzed. Estimation of sequestration capacity is proposed through a sequestration factor (SF) estimated for different reservoir production drives. Multiple regression relationships were developed, allowing SF estimation. CO 2 sequestration optimization highlights the best clean oil recovery strategy (CO 2 injection and/or oil production)

  8. Modelling of electricity generation of large interconnected power systems: How can a CO2 tax influence the European generation mix

    International Nuclear Information System (INIS)

    Voorspools, Kris R.; D'haeseleer, William D.

    2006-01-01

    This paper discusses a methodology for detailed modelling of electricity generation of large interconnected power systems in a liberalised market. The resulting model, called E-Simulate, respects the technological restrictions and boundary conditions inherent to power generation and simulates the power generation and cross border trade on an hourly basis and on a power plant level. Nevertheless, E-Simulate is sufficiently flexible, transparent and fast. It is a valid, objective and useful tool in the simulation of the impact of power generation topics in the context of liberalised markets and GHG emission reduction. As a comprehensive example of the use and the strength of E-Simulate, we study the effect of a CO 2 tax on power generation and electricity trade in and between eight interconnected European zones: The Netherlands, Belgium/Luxemburg, France, Germany, Spain, Portugal, Switzerland and Italy. A CO 2 tax of 10 Euro /ton CO 2 causes an overall CO 2 emission reduction of about 6%. We notice an overall increase in gas fired generation and a corresponding reduction of coal and lignite fired generation on a trans-national level. In some zones (The Netherlands, Belgium/Luxemburg and Italy), the emissions will rise. In others (France, Germany and Spain), emissions will decrease. This is a result of the CO 2 tax that not only causes a shift towards fuels with lower carbon content but also, and correspondingly, leads to a redistribution of cross border trade

  9. Frictional healing in simulated anhydrite fault gouges: effects of water and CO2

    Science.gov (United States)

    Pluymakers, Anne; Bakker, Elisenda; Samuelson, Jon; Spiers, Christopher

    2014-05-01

    Currently, depleted hydrocarbon reservoirs are in many ways considered ideal for storage of CO2 and other gases. Faults are of major importance to CO2 storage because of their potential as leakage pathways, and also due to the possible seismic risk associated with fault reactivation. Both in the Netherlands and worldwide, anhydrite-rich rocks are a common topseal for many potential storage sites, making it likely that crosscutting faults will contain fault gouges rich in anhydrite. In order to assess the likelihood of fault reactivation and/or fault leakage, it is important to have a thorough understanding of the fault strength, velocity dependence and of the potential to regain frictional strength after fault movement (healing behavior) of anhydrite fault gouge. Starting with a natural anhydrite (>95wt% CaSO4), with minor quantities of dolomite (direct shear experiments on simulated anhydrite fault gouges with both a slide-hold-slide and velocity-stepping sequences. Pore fluid phase was varied (air, vacuum, water, dry/wet CO2), and pressure and temperature conditions used are representative for potential CO2 storage sites, with an effective normal stress of 25 MPa, a temperature of 120°C and, where used, a pore fluid pressure of 15 MPa. First results indicate that frictional healing in anhydrite is strongly influenced by the presence of water. Dry fault gouges exhibit no measurable frictional healing for hold times up to 1 hour, whereas wet gouges show significant healing and stress relaxation, even for short duration hold periods (30s), suggesting a fluid-assisted process such as pressure solution might be of importance. Interestingly, while many materials exhibit a log-linear dependence of frictional drop on hold time (i.e. "Dieterich-type" healing), our results for wet gouge indicate a non-linear increase of frictional drop with increasing hold time. To determine if pressure solution controls frictional healing we will perform control experiments using a CaSO4

  10. Towards the generic conceptual and numerical framework for the simulation of CO 2 sequestration in different types of georeservoirs

    DEFF Research Database (Denmark)

    Görke, Uwe Jens; Taron, Joshua; Singh, Ashok

    2011-01-01

    In this paper, conceptual and numerical modeling of coupled thermo-hydro-mechanical (THM) processes during CO 2 injection and storage is presented. The commonly used averaging procedure combining the Theory of Mixtures and the Concept of Volume Fractions serves as background for the complex porous...... mathematical models are of similar structure. Thus, the paper is mainly focused on a generic theoretical framework for the coupled processes under consideration. Within this context, CO 2 sequestration in georeservoirs of different type can be simulated (e.g., saline aquifers, (nearly) depleted hydrocarbon...... media approach presented here. Numerical models are based on a generalized formulation of the individual and overall balance equations for mass and momentum, as well as, in non-isothermal case, the energy balance equation. Within the framework of a standard Galerkin approach, the method of weighted...

  11. Effect of simulated tillage on microbial autotrophic CO2 fixation in paddy and upland soils

    Science.gov (United States)

    Ge, Tida; Wu, Xiaohong; Liu, Qiong; Zhu, Zhenke; Yuan, Hongzhao; Wang, Wei; Whiteley, A. S.; Wu, Jinshui

    2016-01-01

    Tillage is a common agricultural practice affecting soil structure and biogeochemistry. To evaluate how tillage affects soil microbial CO2 fixation, we incubated and continuously labelled samples from two paddy soils and two upland soils subjected to simulated conventional tillage (CT) and no-tillage (NT) treatments. Results showed that CO2 fixation (14C-SOC) in CT soils was significantly higher than in NT soils. We also observed a significant, soil type- and depth-dependent effect of tillage on the incorporation rates of labelled C to the labile carbon pool. Concentrations of labelled C in the carbon pool significantly decreased with soil depth, irrespective of tillage. Additionally, quantitative PCR assays revealed that for most soils, total bacteria and cbbL-carrying bacteria were less abundant in CT versus NT treatments, and tended to decrease in abundance with increasing depth. However, specific CO2 fixation activity was significantly higher in CT than in NT soils, suggesting that the abundance of cbbL-containing bacteria may not always reflect their functional activity. This study highlights the positive effect of tillage on soil microbial CO2 fixation, and the results can be readily applied to the development of sustainable agricultural management. PMID:26795428

  12. Measurements and modeling of absorption by CO2 + H2O mixtures in the spectral region beyond the CO2 ν3-band head

    Science.gov (United States)

    Tran, H.; Turbet, M.; Chelin, P.; Landsheere, X.

    2018-05-01

    In this work, we measured the absorption by CO2 + H2O mixtures from 2400 to 2600 cm-1 which corresponds to the spectral region beyond the ν3 band head of CO2. Transmission spectra of CO2 mixed with water vapor were recorded with a high-resolution Fourier-transform spectrometer for various pressure, temperature and concentration conditions. The continuum absorption by CO2 due to the presence of water vapor was determined by subtracting from measured spectra the contribution of local lines of both species, that of the continuum of pure CO2 as well as of the self- and CO2-continua of water vapor induced by the H2O-H2O and H2O-CO2 interactions. The obtained results are in very good agreement with the unique previous measurement (in a narrower spectral range). They confirm that the H2O-continuum of CO2 is significantly larger than that observed for pure CO2. This continuum thus must be taken into account in radiative transfer calculations for media involving CO2+ H2O mixture. An empirical model, using sub-Lorentzian line shapes based on some temperature-dependent correction factors χ is proposed which enables an accurate description of the experimental results.

  13. Multi-model comparison of CO2 emissions peaking in China: Lessons from CEMF01 study

    Directory of Open Access Journals (Sweden)

    Oleg Lugovoy

    2018-03-01

    Full Text Available The paper summarizes results of the China Energy Modeling Forum's (CEMF first study. Carbon emissions peaking scenarios, consistent with China's Paris commitment, have been simulated with seven national and industry-level energy models and compared. The CO2 emission trends in the considered scenarios peak from 2015 to 2030 at the level of 9–11 Gt. Sector-level analysis suggests that total emissions pathways before 2030 will be determined mainly by dynamics of emissions in the electric power industry and transportation sector. Both sectors will experience significant increase in demand, but have low-carbon alternative options for development. Based on a side-by-side comparison of modeling input and results, conclusions have been drawn regarding the sources of emissions projections differences, which include data, views on economic perspectives, or models' structure and theoretical framework. Some suggestions have been made regarding energy models' development priorities for further research. Keywords: Carbon emissions projections, Climate change, CO2 emissions peak, China's Paris commitment, Top-Down energy models, Bottom-Up energy models, Multi model comparative study, China Energy Modeling Forum (CEMF

  14. Estimation of CO2 Transport Costs in South Korea Using a Techno-Economic Model

    Directory of Open Access Journals (Sweden)

    Kwangu Kang

    2015-03-01

    Full Text Available In this study, a techno–economic model was used to calculate the costs of CO2 transport and specify the major equipment required for transport in order to demonstrate and implement CO2 sequestration in the offshore sediments of South Korea. First, three different carbon capture and storage demonstration scenarios were set up involving the use of three CO2 capture plants and one offshore storage site. Each transport scenario considered both the pipeline transport and ship transport options. The temperature and pressure conditions of CO2 in each transport stage were determined from engineering and economic viewpoints, and the corresponding specifications and equipment costs were calculated. The transport costs for a 1 MtCO2/year transport rate were estimated to be US$33/tCO2 and US$28/tCO2 for a pipeline transport of ~530 km and ship transport of ~724 km, respectively. Through the economies of scale effect, the pipeline and ship transport costs for a transport rate of 3 MtCO2/year were reduced to approximately US$21/tCO2 and US$23/tCO2, respectively. A CO2 hub terminal did not significantly reduce the cost because of the short distance from the hub to the storage site and the small number of captured sources.

  15. Improved quantification of CO2 emission at Campi Flegrei by combined Lagrangian Stochastic and Eulerian dispersion modelling

    Science.gov (United States)

    Pedone, Maria; Granieri, Domenico; Moretti, Roberto; Fedele, Alessandro; Troise, Claudia; Somma, Renato; De Natale, Giuseppe

    2017-12-01

    This study investigates fumarolic CO2 emissions at Campi Flegrei (Southern Italy) and their dispersion in the lowest atmospheric boundary layer. We innovatively utilize a Lagrangian Stochastic dispersion model (WindTrax) combined with an Eulerian model (DISGAS) to diagnose the dispersion of diluted gas plumes over large and complex topographic domains. New measurements of CO2 concentrations acquired in February and October 2014 in the area of Pisciarelli and Solfatara, the two major fumarolic fields of Campi Flegrei caldera, and simultaneous measurements of meteorological parameters are used to: 1) test the ability of WindTrax to calculate the fumarolic CO2 flux from the investigated sources, and 2) perform predictive numerical simulations to resolve the mutual interference between the CO2 emissions of the two adjacent areas. This novel approach allows us to a) better quantify the CO2 emission of the fumarolic source, b) discriminate ;true; CO2 contributions for each source, and c) understand the potential impact of the composite CO2 plume (Pisciarelli ;plus; Solfatara) on the highly populated areas inside the Campi Flegrei caldera.

  16. 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.

  17. Lattice Boltzmann simulation of dissolution-induced changes in permeability and porosity in 3D CO2 reactive transport

    Science.gov (United States)

    Tian, Zhiwei; Wang, Junye

    2018-02-01

    Dissolution and precipitation of rock matrix are one of the most important processes of geological CO2 sequestration in reservoirs. They change connections of pore channels and properties of matrix, such as bulk density, microporosity and hydraulic conductivity. This study builds on a recently developed multi-layer model to account for dynamic changes of microporous matrix that can accurately predict variations in hydraulic properties and reaction rates due to dynamic changes in matrix porosity and pore connectivity. We apply the model to simulate the dissolution and precipitation processes of rock matrix in heterogeneous porous media to quantify (1) the effect of the reaction rate on dissolution and matrix porosity, (2) the effect of microporous matrix diffusion on the overall effective diffusion and (3) the effect of heterogeneity on hydraulic conductivity. The results show the CO2 storage influenced by factors including the matrix porosity change, reaction front movement, velocity and initial properties. We also simulated dissolution-induced permeability enhancement as well as effects of initial porosity heterogeneity. The matrix with very low permeability, which can be unresolved on X-ray CT, do contribute to flow patterns and dispersion. The concentration of reactant H+ increases along the main fracture paths where the flow velocity increases. The product Ca++ shows the inversed distribution pattern against the H+ concentration. This demonstrates the capability of this model to investigate the complex CO2 reactive transport in real 3D heterogeneous porous media.

  18. 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)

  19. Consistent phase-change modeling for CO2-based heat mining operation

    DEFF Research Database (Denmark)

    Singh, Ashok Kumar; Veje, Christian

    2017-01-01

    The accuracy of mathematical modeling of phase-change phenomena is limited if a simple, less accurate equation of state completes the governing partial differential equation. However, fluid properties (such as density, dynamic viscosity and compressibility) and saturation state are calculated using...... a highly accurate, complex equation of state. This leads to unstable and inaccurate simulation as the equation of state and governing partial differential equations are mutually inconsistent. In this study, the volume-translated Peng–Robinson equation of state was used with emphasis to model the liquid......–gas phase transition with more accuracy and consistency. Calculation of fluid properties and saturation state were based on the volume translated Peng–Robinson equation of state and results verified. The present model has been applied to a scenario to simulate a CO2-based heat mining process. In this paper...

  20. The application of CFD modelling to support the reduction of CO2 emissions in cement industry

    International Nuclear Information System (INIS)

    Mikulčić, Hrvoje; Vujanović, Milan; Fidaros, Dimitris K.; Priesching, Peter; Minić, Ivica; Tatschl, Reinhard; Duić, Neven; Stefanović, Gordana

    2012-01-01

    The cement industry is one of the leading producers of anthropogenic greenhouse gases, of which CO 2 is the most significant. Recently, researchers have invested a considerable amount of time studying ways to improve energy consumption and pollutant formation in the overall cement manufacturing process. One idea involves dividing the calcination and clinkering processes into two separate furnaces. The calcination process is performed in a calciner while the clinkering process takes place in a rotary kiln. As this is new technology in the cement manufacturing process, calciners are still in the research and development phase. The purpose of this paper is to demonstrate the potential of CFD to support the design and optimization of calciners, whose use appears to be essential in reduction of CO 2 emission during cement production. The mathematical model of the calcination process was developed, validated and implemented into a commercial CFD code, which was then used for the analysis. From the results obtained by these simulations, researchers will gain an in-depth understanding of all thermo-chemical reactions in a calciner. This understanding can be used to optimize the calciner's geometry, to make production more efficient, to lower pollutant formation and to subsequently reduce greenhouse gas emissions. -- Highlights: ► The potential of CO 2 emissions reduction, by using a cement calciner was presented. ► When a cement calciner is used, CO 2 emissions reduction of 3–4% can be achieved. ► The calcination model was developed, validated, and then used for the analysis. ► Shown method can be applied for investigation and optimization of cement calciners.

  1. Application of free-air CO2 enrichment (FACE) technology to a forest canopy: A simulation study

    International Nuclear Information System (INIS)

    Lipfert, F.W.; Hendrey, G.R.; Lewin, K.L.; Alexander, Y.

    1992-03-01

    Forest ecosystems constitute an important part of the planet's land cover. Understanding their exchanges of carbon with the atmosphere is crucial in projecting future net atmospheric CO 2 increases. It is also important that experimental studies of these processes be performed under conditions which are as realistic as possible, particularly with respect to photosynthesis and evapotranspiration. New technology and experimental protocols now exist which can facilitate studying an undisturbed forest canopy under long-term enriched CO 2 conditions. The International Geosphere Biosphere Program of the International Council of Scientific Unions has established a subprogram on Global Change and Terrestrial Ecosystems (GCTE). This program is driven by two major concerns: to be able to predict the effects of global change on the structure and function of ecosystems, and to predict how these changes will control both atmospheric CO 2 and climate, through various feedback pathways. Brookhaven National Laboratory (BNL) has developed a system for exposing field-grown plants to controlled elevated concentrations of atmospheric gases, without use of confining chambers that alter important atmospheric exchange processes. This system, called FACE for Free Air CO 2 Enrichment. This paper focuses on the fluid mechanics of free-air fumigation and uses a numerical simulation model based on superposed gaussian plumes to project how the present ground-based system could be used to fumigate an elevated forest canopy

  2. 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.

  3. 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

  4. Thermodynamic modeling of CO2 absorption in aqueous N-Methyldiethanolamine using Extended UNIQUAC model

    DEFF Research Database (Denmark)

    Sadegh, Negar; Stenby, Erling Halfdan; Thomsen, Kaj

    2015-01-01

    A Thermodynamic model that can predict the behavior of the gas sweetening process over the applicable conditions is of vital importance in industry. In this work, Extended UNIQUAC model parameters optimized for the CO2-MDEA-H2O system are presented. Different types of experimental data consisting...... model accurately represents thermodynamic and thermal properties of the studied systems. The model parameters are valid in the temperature range from -15 to 200 °C, MDEA mass% of 5-75 and CO2 partial pressure of 0-6161.5 kPa....

  5. Wettability effect on capillary trapping of supercritical CO2 at pore-scale: micromodel experiment and numerical modeling

    Science.gov (United States)

    Hu, R.; Wan, J.

    2015-12-01

    Wettability of reservoir minerals along pore surfaces plays a controlling role in capillary trapping of supercritical (sc) CO2 in geologic carbon sequestration. The mechanisms controlling scCO2 residual trapping are still not fully understood. We studied the effect of pore surface wettability on CO2 residual saturation at the pore-scale using engineered high pressure and high temperature micromodel (transparent pore networks) experiments and numerical modeling. Through chemical treatment of the micromodel pore surfaces, water-wet, intermediate-wet, and CO2-wet micromodels can be obtained. Both drainage and imbibition experiments were conducted at 8.5 MPa and 45 °C with controlled flow rate. Dynamic images of fluid-fluid displacement processes were recorded using a microscope with a CCD camera. Residual saturations were determined by analysis of late stage imbibition images of flow path structures. We performed direct numerical simulations of the full Navier-Stokes equations using a volume-of-fluid based finite-volume framework for the primary drainage and the followed imbibition for the micromodel experiments with different contact angles. The numerical simulations agreed well with our experimental observations. We found that more scCO2 can be trapped within the CO2-wet micromodel whereas lower residual scCO2 saturation occurred within the water-wet micromodels in both our experiments and the numerical simulations. These results provide direct and consistent evidence of the effect of wettability, and have important implications for scCO2 trapping in geologic carbon sequestration.

  6. Fluidized-Bed Heat Transfer Modeling for the Development of Particle/Supercritical-CO2 Heat Exchanger

    Energy Technology Data Exchange (ETDEWEB)

    Ma, Zhiwen [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Martinek, Janna G [National Renewable Energy Laboratory (NREL), Golden, CO (United States)

    2017-06-03

    Concentrating solar power (CSP) technology is moving toward high-temperature and high-performance design. One technology approach is to explore high-temperature heat-transfer fluids and storage, integrated with a high-efficiency power cycle such as the supercritical carbon dioxide (s-CO2) Brayton power cycle. The s-CO2 Brayton power system has great potential to enable the future CSP system to achieve high solar-to-electricity conversion efficiency and to reduce the cost of power generation. Solid particles have been proposed as a possible high-temperature heat-transfer medium that is inexpensive and stable at high temperatures above 1,000 degrees C. The particle/heat exchanger provides a connection between the particles and s-CO2 fluid in the emerging s-CO2 power cycles in order to meet CSP power-cycle performance targets of 50% thermal-to-electric efficiency, and dry cooling at an ambient temperature of 40 degrees C. The development goals for a particle/s-CO2 heat exchanger are to heat s-CO2 to =720 degrees C and to use direct thermal storage with low-cost, stable solid particles. This paper presents heat-transfer modeling to inform the particle/s-CO2 heat-exchanger design and assess design tradeoffs. The heat-transfer process was modeled based on a particle/s-CO2 counterflow configuration. Empirical heat-transfer correlations for the fluidized bed and s-CO2 were used in calculating the heat-transfer area and optimizing the tube layout. A 2-D computational fluid-dynamics simulation was applied for particle distribution and fluidization characterization. The operating conditions were studied from the heat-transfer analysis, and cost was estimated from the sizing of the heat exchanger. The paper shows the path in achieving the cost and performance objectives for a heat-exchanger design.

  7. A Model for Interpreting High-Tower CO2 Concentration Records for the Surface Carbon Balance Information

    Science.gov (United States)

    Chen, B.; Chen, J. M.; Higuchi, K.; Chan, D.; Shashkov, A.

    2002-05-01

    Atmospheric CO2 concentration measurements have been made by scientists of Meteorological Service of Canada on a 40 m tower for the last 10 years at 15 minute intervals over a mostly intact boreal forest near Fraserdale (50N, 81W), Ontario, Canada. The long time records of CO2 as well as basic meteorological variables provide a unique opportunity to investigate any potential changes in the ecosystem in terms of carbon balance. A model is needed to decipher the carbon cycle signals from the diurnal and seasonal variation patterns in the CO2 record. For this purpose, the Boreal Ecosystem Productivity Simulator (BEPS) is expanded to include a one-dimensional CO2 vertical transfer model involving the interaction between plant canopies and the atmosphere in the surface layer and the diurnal dynamics of the mixed layer. An analytical solution of the scalar transfer equation within the surface layer is found using an assumption that the diurnal oscillation of CO2 concentration at a given height is sinusoidal, which is suitable for the investigation of the changes in diurnal variation pattern over the 10 year period. The complex interactions between the daily cycle of the atmosphere and vegetation CO2 exchange and the daily evolution of mixed layer entrainment of CO2 determines the CO2 variation pattern at a given height. The expanded BEPS can simulate within ñ2 ppm the hourly CO2 records at the 40 m measurement height. The annual totals of gross primary productivity (GPP), net primary productivity (NPP) and net ecosystem productivity (NEP), summed up from the hourly results, agree within 5% of previous estimates of BEPS at daily steps, indicating the internal consistency of the hourly model. The model is therefore ready for exploring changes in the CO2 record as affected by changes in the forest ecosystems upwind of the tower. Preliminary results indicate that the diurnal variation amplitude of CO2 has increased by 10-20% over the 10 years period, and this change can

  8. 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

  9. A Study on the Applicability of Kinetic Models for Shenfu Coal Char Gasification with CO2 at Elevated Temperatures

    Directory of Open Access Journals (Sweden)

    Jinsheng Gao

    2009-07-01

    Full Text Available In this paper, measurements of the CO2 gasification kinetics for two types of Shenfu coal chars, which were respectively prepared by slow and rapid pyrolysis at temperatures of 950 °C and 1,400 °C, were performed by an isothermal thermo-gravimetric analysis under ambient pressure and elevated temperature conditions. Simultaneously, the applicability of the kinetic model for the CO2 gasification reaction of Shenfu coal chars was discussed. The results showed: (i the shrinking un-reacted core model was not appropriate to describe the gasification reaction process of Shenfu coal chars with CO2 in the whole experimental temperature range; (ii at the relatively low temperatures, the modified volumetric model was as good as the random pore model to simulate the CO2 gasification reaction of Shenfu coal chars, while at the elevated temperatures, the modified volumetric model was superior to the random pore model for this process; (iii the integral expression of the modified volumetric model was more favorable than the differential expression of that for fitting the experimental data. Moreover, by simply introducing a function: A = A★exp(ft, it was found that the extensive model of the modified volumetric model could make much better predictions than the modified volumetric model. It was recommended as a convenient empirical model for comprehensive simulation of Shenfu coal char gasification with under conditions close to those of entrained flow gasification.

  10. 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.

  11. 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.

  12. Numerical investigation of CO2 storage in hydrocarbon field using a geomechanical-fluid coupling model

    Directory of Open Access Journals (Sweden)

    Guang Li

    2016-09-01

    Full Text Available Increasing pore pressure due to CO2 injection can lead to stress and strain changes of the reservoir. One of the safely standards for long term CO2 storage is whether stress and strain changes caused by CO2 injection will lead to irreversible mechanical damages of the reservoir and impact the integrity of caprock which could lead to CO2 leakage through previously sealing structures. Leakage from storage will compromise both the storage capacity and the perceived security of the project, therefore, a successful CO2 storage project requires large volumes of CO2 to be injected into storage site in a reliable and secure manner. Yougou hydrocarbon field located in Orods basin was chosen as storage site based on it's stable geological structure and low leakage risks. In this paper, we present a fluid pressure and stress-strain variations analysis for CO2 geological storage based on a geomechanical-fluid coupling model. Using nonlinear elasticity theory to describe the geomechanical part of the model, while using the Darcy's law to describe the fluid flow. Two parts are coupled together using the poroelasticity theory. The objectives of our work were: 1 evaluation of the geomechanical response of the reservoir to different CO2 injection scenarios. 2 assessment of the potential leakage risk of the reservoir caused by CO2 injection.

  13. Simple dielectric mixing model in the monitoring of CO2 leakage from geological storage aquifer

    Science.gov (United States)

    Abidoye, L. K.; Bello, A. A.

    2017-03-01

    The principle of the dielectric mixing for multiphase systems in porous media has been employed to investigate CO2-water-porous media system and monitor the leakage of CO2, in analogy to scenarios that can be encountered in geological carbon sequestration. A dielectric mixing model was used to relate the relative permittivity for different subsurface materials connected with the geological carbon sequestration. The model was used to assess CO2 leakage and its upward migration, under the influences of the depth-dependent characteristics of the subsurface media as well as the fault-connected aquifers. The results showed that for the upward migration of CO2 in the subsurface, the change in the bulk relative permittivity (εb) of the CO2-water-porous media system clearly depicts the leakage and movement of CO2, especially at depth shallower than 800 m. At higher depth, with higher pressure and temperature, the relative permittivity of CO2 increases with pressure, while that of water decreases with temperature. These characteristics of water and supercritical CO2, combine to limit the change in the εb, at higher depth. Furthermore, it was noted that if the pore water was not displaced by the migrating CO2, the presence of CO2 in the system increases the εb. But, with the displacement of pore water by the migrating CO2, it was shown how the εb profile decreases with time. Owing to its relative simplicity, composite dielectric behaviour of multiphase materials can be effectively deployed for monitoring and enhancement of control of CO2 movement in the geological carbon sequestration.

  14. Molecular dynamics simulations of polyethers and a quaternary ammonium ionic liquid as CO2 absorbers

    Science.gov (United States)

    Cardoso, Piercarlo Fortunato; Fernandez, Juan S. L. C.; Lepre, Luiz Fernando; Ando, Rômulo Augusto; Costa Gomes, Margarida F.; Siqueira, Leonardo J. A.

    2018-04-01

    The properties of mixtures of butyltrimethylammonium bis(trifluoromethylsulfonyl)imide, [N4111][NTf2], with poly(ethyleneglycol) dimethyl ether, PEO, were described as a function of PEO chain size by molecular dynamics simulations. Both PEO chain size and mixture composition revealed to play a significant role in determining the structure and the dynamics of the fluids. The remarkably higher viscosity observed for mixtures composed by 0.25 mole fraction of PEO was attributed to the increase in the gauche population of OCCO dihedral of the polyether of longer chains. The negative solvation enthalpy (ΔsolH < 0) and entropy (ΔsolS < 0) revealed a favorable CO2 absorption by the neat and mixture systems. The CO2 absorption was higher in neat PEO, particularly considering longer chains. The gas solubility in the mixtures presented intermediate values in comparison to the neat PEO and neat ionic liquid. The CO2 solutions had their structures discussed in the light of the calculated radial and spatial distribution functions.

  15. 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.

  16. 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.

  17. Numerical simulation of the shape of laser cut for fiber and CO2 lasers

    Science.gov (United States)

    Zaitsev, A. V.; Ermolaev, G. V.; Polyanskiy, T. A.; Gurin, A. M.

    2017-10-01

    The results of numerical modeling of steel plate laser cutting with nitrogen as assist gas with consideration of heat transfer into a bulk material are presented. In this work we studied a distribution of absorbed radiation energy inside cut kerf and the difference between CO2 and fiber laser radiation propagation and absorption. The influence of secondary absorption of reflected from the cut front radiation on stability of melt hydrodynamics is discussed for different laser types.

  18. 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.

  19. Three dimensional global modeling of atmospheric CO2. Final technical report

    International Nuclear Information System (INIS)

    Fung, I.; Hansen, J.; Rind, D.

    1983-01-01

    A modeling effort has been initiated to study the prospects of extracting information on carbon dioxide sources and sinks from observed CO 2 variations. The approach uses a three-dimensional global transport model, based on winds from a 3-D general circulation model (GCM), to advect CO 2 noninteractively, i.e., as a tracer, with specified sources and sinks of CO 2 at the surface. This report identifies the 3-D model employed in this study and discusses biosphere, ocean and fossil fuel sources and sinks. Some preliminary model results are presented. 14 figures

  20. Phase equilibrium of (CO2 + 1-aminopropyl-3-methylimidazolium bromide + water) electrolyte system and effects of aqueous medium on CO2 solubility: Experiment and modeling

    International Nuclear Information System (INIS)

    Chen, Ying; Guo, Kaihua; Bi, Yin; Zhou, Lan

    2017-01-01

    Highlights: • Phase and chemical equilibrium data for (CO 2 + [APMIm]Br + H 2 O) electrolyte system. • A modified eNRTL model for CO 2 solubility in the amino-based IL aqueous solution. • Effects of aqueous medium on both chemical and physical dissolution of CO 2 . • The correlative coefficient, R s ∗ , for the Henry’s constant of the solution. • New parameters for the segments interaction and the chemical equilibrium constants. - Abstract: New experimental data for solubility of carbon dioxide (CO 2 ) in the aqueous solution of 1-aminopropyl-3-methylimidazolium bromide ([APMIm]Br) with four different water mass fractions (0.559, 0.645, 0.765 and 0.858) at T = (278.15–348.15) K with an interval of T = 10 K and p = (0.1237–6.9143) MPa were presented. The electrolyte nonrandom two-liquid (eNRTL) model was modified to be applicable for an ionic liquid (IL) aqueous solution system, by introducing an idle factor β to illustrate the association effect of IL molecules. A solution Henry’s constant for CO 2 solubility in the IL aqueous solution was defined by introducing a correlative coefficient R s ∗ . The vapor-liquid phase equilibrium of the [APMIm]Br-H 2 O-CO 2 ternary system was successfully calculated with the modified eNRTL model. The chemical and physical mechanisms for the ionized CO 2 formation and the molecular CO 2 dissolved in the solution were identified. The effects of aqueous medium on both chemical and physical dissolution of CO 2 in the [APMIm]Br aqueous solution were studied, and a considerable enhancement of the solubility of CO 2 with increase of the water content in the solution was observed.

  1. 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

  2. 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

  3. Modeling and validation of on-road CO2 emissions inventories at the urban regional scale

    International Nuclear Information System (INIS)

    Brondfield, Max N.; Hutyra, Lucy R.; Gately, Conor K.; Raciti, Steve M.; Peterson, Scott A.

    2012-01-01

    On-road emissions are a major contributor to rising concentrations of atmospheric greenhouse gases. In this study, we applied a downscaling methodology based on commonly available spatial parameters to model on-road CO 2 emissions at the 1 × 1 km scale for the Boston, MA region and tested our approach with surface-level CO 2 observations. Using two previously constructed emissions inventories with differing spatial patterns and underlying data sources, we developed regression models based on impervious surface area and volume-weighted road density that could be scaled to any resolution. We found that the models accurately reflected the inventories at their original scales (R 2 = 0.63 for both models) and exhibited a strong relationship with observed CO 2 mixing ratios when downscaled across the region. Moreover, the improved spatial agreement of the models over the original inventories confirmed that either product represents a viable basis for downscaling in other metropolitan regions, even with limited data. - Highlights: ► We model two on-road CO 2 emissions inventories using common spatial parameters. ► Independent CO 2 observations are used to validate the emissions models. ► The downscaled emissions models capture the urban spatial heterogeneity of Boston. ► Emissions estimates show a strong non-linear relationship with observed CO 2 . ► Our study is repeatable, even in areas with limited data. - This work presents a new, reproducible methodology for downscaling and validating on-road CO 2 emissions estimates.

  4. Uncertainty in measurements of the photorespiratory CO2 compensation point and its impact on models of leaf photosynthesis.

    Science.gov (United States)

    Walker, Berkley J; Orr, Douglas J; Carmo-Silva, Elizabete; Parry, Martin A J; Bernacchi, Carl J; Ort, Donald R

    2017-06-01

    Rates of carbon dioxide assimilation through photosynthesis are readily modeled using the Farquhar, von Caemmerer, and Berry (FvCB) model based on the biochemistry of the initial Rubisco-catalyzed reaction of net C 3 photosynthesis. As models of CO 2 assimilation rate are used more broadly for simulating photosynthesis among species and across scales, it is increasingly important that their temperature dependencies are accurately parameterized. A vital component of the FvCB model, the photorespiratory CO 2 compensation point (Γ * ), combines the biochemistry of Rubisco with the stoichiometry of photorespiratory release of CO 2 . This report details a comparison of the temperature response of Γ * measured using different techniques in three important model and crop species (Nicotiana tabacum, Triticum aestivum, and Glycine max). We determined that the different Γ * determination methods produce different temperature responses in the same species that are large enough to impact higher-scale leaf models of CO 2 assimilation rate. These differences are largest in N. tabacum and could be the result of temperature-dependent increases in the amount of CO 2 lost from photorespiration per Rubisco oxygenation reaction.

  5. Development of a mechanistic model for prediction of CO2 capture from gas mixtures by amine solutions in porous membranes.

    Science.gov (United States)

    Ghadiri, Mehdi; Marjani, Azam; Shirazian, Saeed

    2017-06-01

    A mechanistic model was developed in order to predict capture and removal of CO 2 from air using membrane technology. The considered membrane was a hollow-fiber contactor module in which gas mixture containing CO 2 was assumed as feed while 2-amino-2-metyl-1-propanol (AMP) was used as an absorbent. The mechanistic model was developed according to transport phenomena taking into account mass transfer and chemical reaction between CO 2 and amine in the contactor module. The main aim of modeling was to track the composition and flux of CO 2 and AMP in the membrane module for process optimization. For modeling of the process, the governing equations were computed using finite element approach in which the whole model domain was discretized into small cells. To confirm the simulation findings, model outcomes were compared with experimental data and good consistency was revealed. The results showed that increasing temperature of AMP solution increases CO 2 removal in the hollow-fiber membrane contactor.

  6. Uncertainty in geochemical modelling of CO2 and calcite dissolution in NaCl solutions due to different modelling codes and thermodynamic databases

    International Nuclear Information System (INIS)

    Haase, Christoph; Dethlefsen, Frank; Ebert, Markus; Dahmke, Andreas

    2013-01-01

    Highlights: • CO 2 and calcite dissolution is calculated. • The codes PHREEQC, Geochemist’s Workbench, EQ3/6, and FactSage are used. • Comparison with Duan and Li (2008) shows lowest deviation using phreeqc.dat and wateq4f.dat. • Using Pitzer databases does not improve accurate calculations. • Uncertainty in dissolved CO 2 is largest using the geochemical models. - Abstract: A prognosis of the geochemical effects of CO 2 storage induced by the injection of CO 2 into geologic reservoirs or by CO 2 leakage into the overlaying formations can be performed by numerical modelling (non-invasive) and field experiments. Until now the research has been focused on the geochemical processes of the CO 2 reacting with the minerals of the storage formation, which mostly consists of quartzitic sandstones. Regarding the safety assessment the reactions between the CO 2 and the overlaying formations in the case of a CO 2 leakage are of equal importance as the reactions in the storage formation. In particular, limestone formations can react very sensitively to CO 2 intrusion. The thermodynamic parameters necessary to model these reactions are not determined explicitly through experiments at the total range of temperature and pressure conditions and are thus extrapolated by the simulation code. The differences in the calculated results lead to different calcite and CO 2 solubilities and can influence the safety issues. This uncertainty study is performed by comparing the computed results, applying the geochemical modelling software codes The Geochemist’s Workbench, EQ3/6, PHREEQC and FactSage/ChemApp and their thermodynamic databases. The input parameters (1) total concentration of the solution, (2) temperature and (3) fugacity are varied within typical values for CO 2 reservoirs, overlaying formations and close-to-surface aquifers. The most sensitive input parameter in the system H 2 O–CO 2 –NaCl–CaCO 3 for the calculated range of dissolved calcite and CO 2 is the

  7. Spectroscopy, modeling and computation of metal chelate solubility in supercritical CO2

    International Nuclear Information System (INIS)

    Brennecke, J.F.; Stadtherr, M.A.

    1999-01-01

    The overall objectives of this project were to gain a fundamental understanding of the solubility and phase behavior of metal chelates in supercritical CO 2 . Extraction with CO 2 is an excellent way to remove organic compounds from soils, sludges and aqueous solutions, and recent research has demonstrated that, together with chelating agents, it is a viable way to remove metals, as well. In this project the authors sought to gain fundamental knowledge that is vital to computing phase behavior, and modeling and designing processes using CO 2 to separate organics and metal compounds from DOE mixed wastes. The overall program was a comprehensive one to measure, model and compute the solubility of metal chelate complexes in supercritical CO 2 and CO 2 /cosolvent mixtures. Through a combination of phase behavior measurements, spectroscopy and the development of a new computational technique, the authors have achieved a completely reliable way to model metal chelate solubility in supercritical CO 2 and CO 2 /co-contaminant mixtures. Thus, they can now design and optimize processes to extract metals from solid matrices using supercritical CO 2 , as an alternative to hazardous organic solvents that create their own environmental problems, even while helping in metals decontamination

  8. The Influence of Climate Change on CO2 and CH4 Concentration Near Closed Shaft - Numerical Simulations

    Science.gov (United States)

    Wrona, Paweł

    2017-09-01

    Given the scientific consensus pointing to climate change, the more extreme weather events associated with this will lead to deeper pressure drops. As has already been stated, pressure drops are the main cause of gas flow from underground sites to the surface. This article presents the results of numerical simulations of the change in distribution of CO2 and CH4 near a closed mining shaft under the predicted baric tendency. Simulations have been undertaken by means of the FDS software package with the Pyrosim graphical interface - a CFD tool for fire and ventilation analysis. Assumptions have been based on previous results of in-situ measurements. The results (determined for a height of 1m above the ground) were compared to the following levels (later in the text comparison levels): for CO2 0.1%vol. according to Pettenkoffer's scale and 2.5%vol. for CH4 as the half of Lower Explosive Limit (LEL). The results show that the deeper baric drops anticipated could lead to a wider spread of both greenhouse gases in the vicinity of the shaft, especially along the prevailing wind direction. According to the results obtained, CO2 and CH4 with concentrations above their comparison levels are expected at a distance greater than 50m from the shaft when wind is present for CO2 and at a distance of 4.5m for CH4. Subsequent analysis of the results enabled the determination of functions for describing the concentration of gases along the wind direction line under the projected pressure drop. The results relate to a particular case, although the model could easily be modified to any other example of gas emissions from underground sites.

  9. Measurement and Modelling of the Piperazine Potassium Carbonate Solutions for CO2 Capture

    DEFF Research Database (Denmark)

    Fosbøl, Philip Loldrup; Thomsen, Kaj; Waseem Arshad, Muhammad

    The climate is in a critical state due to the impact of pollution by CO2 and similar greenhouse gasses. Action needs to be taken in order reduce the emission of harmful components. CO2 capture is one process to help the world population back on track in order to return to normal condition...... with the purpose of simulating the CO2 capture process. This involves equilibrium studies on physical properties in the activated carbonate solvent. Energy consumption while applying the promoted carbonate solutions using piperazine is given in overview....

  10. Using eddy covariance of CO2, 13CO2 and CH4, continuous soil respiration measurements, and PhenoCams to constrain a process-based biogeochemical model for carbon market-funded wetland restoration

    Science.gov (United States)

    Oikawa, P. Y.; Baldocchi, D. D.; Knox, S. H.; Sturtevant, C. S.; Verfaillie, J. G.; Dronova, I.; Jenerette, D.; Poindexter, C.; Huang, Y. W.

    2015-12-01

    % of observed annual budgets of CO2 and CH4, respectively). The use of multiple data streams is critical for constraining parameters and reducing uncertainty in model predictions, thereby providing accurate simulation of greenhouse gas exchange in a wetland restoration project with implications for C market-funded wetland restoration worldwide.

  11. Regional-scale geostatistical inverse modeling of North American CO2 fluxes: a synthetic data study

    Directory of Open Access Journals (Sweden)

    A. M. Michalak

    2010-07-01

    Full Text Available A series of synthetic data experiments is performed to investigate the ability of a regional atmospheric inversion to estimate grid-scale CO2 fluxes during the growing season over North America. The inversions are performed within a geostatistical framework without the use of any prior flux estimates or auxiliary variables, in order to focus on the atmospheric constraint provided by the nine towers collecting continuous, calibrated CO2 measurements in 2004. Using synthetic measurements and their associated concentration footprints, flux and model-data mismatch covariance parameters are first optimized, and then fluxes and their uncertainties are estimated at three different temporal resolutions. These temporal resolutions, which include a four-day average, a four-day-average diurnal cycle with 3-hourly increments, and 3-hourly fluxes, are chosen to help assess the impact of temporal aggregation errors on the estimated fluxes and covariance parameters. Estimating fluxes at a temporal resolution that can adjust the diurnal variability is found to be critical both for recovering covariance parameters directly from the atmospheric data, and for inferring accurate ecoregion-scale fluxes. Accounting for both spatial and temporal a priori covariance in the flux distribution is also found to be necessary for recovering accurate a posteriori uncertainty bounds on the estimated fluxes. Overall, the results suggest that even a fairly sparse network of 9 towers collecting continuous CO2 measurements across the continent, used with no auxiliary information or prior estimates of the flux distribution in time or space, can be used to infer relatively accurate monthly ecoregion scale CO2 surface fluxes over North America within estimated uncertainty bounds. Simulated random transport error is shown to decrease the quality of flux estimates in under-constrained areas at the ecoregion scale, although the uncertainty bounds remain realistic. While these synthetic

  12. 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

  13. 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...

  14. Gasification under CO2–Steam Mixture: Kinetic Model Study Based on Shared Active Sites

    Directory of Open Access Journals (Sweden)

    Xia Liu

    2017-11-01

    Full Text Available In this work, char gasification of two coals (i.e., Shenfu bituminous coal and Zunyi anthracite and a petroleum coke under a steam and CO2 mixture (steam/CO2 partial pressures, 0.025–0.075 MPa; total pressures, 0.100 MPa and CO2/steam chemisorption of char samples were conducted in a Thermogravimetric Analyzer (TGA. Two conventional kinetic models exhibited difficulties in exactly fitting the experimental data of char–steam–CO2 gasification. Hence, a modified model based on Langmuir–Hinshelwood model and assuming that char–CO2 and char–steam reactions partially shared active sites was proposed and had indicated high accuracy for estimating the interactions in char–steam–CO2 reaction. Moreover, it was found that two new model parameters (respectively characterized as the amount ratio of shared active sites to total active sites in char–CO2 and char–steam reactions in the modified model hardly varied with gasification conditions, and the results of chemisorption indicate that these two new model parameters mainly depended on the carbon active sites in char samples.

  15. Effects of climate change on productivity of cereals and legumes; model evaluation of observed year-to-year variability of the CO2 response.

    NARCIS (Netherlands)

    Grashoff, C.; Dijkstra, P.; Nonhebel, S.; Schapendonk, A.H.C.M.; Geijn, van de S.C.

    1995-01-01

    The effect of elevated [CO2] on the productivity of spring wheat, winter wheat and faba bean was studied in experiments in climatized crop enclosures in the Wageningen Rhizolab in 1991–93. Simulation models for crop growth were used to explore possible causes for the observed differences in the CO2

  16. Elevated CO2 induces changes in the ecohydrological functions of forests - from mechanisms to models

    Science.gov (United States)

    Pötzelsberger, Elisabeth; Warren, Jeffrey M.; Wullschleger, Stan D.; Thornton, Peter E.; Norby, Richard J.; Hasenauer, Hubert

    2010-05-01

    Forests are known to considerably influence ecosystem water balance as a result of the many dynamic interactions between the plant physiology, morphology, phenology and other biophysical properties and environmental conditions. A changing climate will exert a new environmental setting for the forests and the biological feedbacks will be considerable. With the mechanistic ecosystem model Biome-BGC the dense net of cause-response relationships among carbon, nitrogen, water and energy cycles at a free-air CO2 enrichment (FACE) site in a North American deciduous broadleaved forest can be represented. At the Oak Ridge National Laboratory (ORNL) closed canopy sweetgum plantation elevated CO2 caused a decrease in stomatal conductance, and concurrent changes in daily transpiration were observed. This is in agreement with data from other FACE experiments. At the ORNL FACE site average transpiration reduction in a growing season was 10-16%, with 7-16% during mid summer, depending on the year. After parameterization of the model for this ecosystem the observed transpiration patterns could be well represented. Most importantly, the complete water budget at the site could be described and increased outflow could be observed (~15%). This yields crucial information for broader scale future water budget simulations. Changes in the water balance of deciduous forests will affect a wide range of ecosystem functions, from decomposition, over carbon and nutrient cycling to plant-plant competition and species composition.

  17. A modified homogeneous relaxation model for CO2 two-phase flow in vapour ejector

    International Nuclear Information System (INIS)

    Haida, M.; Palacz, M.; Smolka, J.; Nowak, A. J.; Hafner, A.; Banasiak, K.

    2016-01-01

    In this study, the homogenous relaxation model (HRM) for CO 2 flow in a two-phase ejector was modified in order to increase the accuracy of the numerical simulations The two- phase flow model was implemented on the effective computational tool called ejectorPL for fully automated and systematic computations of various ejector shapes and operating conditions. The modification of the HRM was performed by a change of the relaxation time and the constants included in the relaxation time equation based on the experimental result under the operating conditions typical for the supermarket refrigeration system. The modified HRM was compared to the HEM results, which were performed based on the comparison of motive nozzle and suction nozzle mass flow rates. (paper)

  18. A modified homogeneous relaxation model for CO2 two-phase flow in vapour ejector

    Science.gov (United States)

    Haida, M.; Palacz, M.; Smolka, J.; Nowak, A. J.; Hafner, A.; Banasiak, K.

    2016-09-01

    In this study, the homogenous relaxation model (HRM) for CO2 flow in a two-phase ejector was modified in order to increase the accuracy of the numerical simulations The two- phase flow model was implemented on the effective computational tool called ejectorPL for fully automated and systematic computations of various ejector shapes and operating conditions. The modification of the HRM was performed by a change of the relaxation time and the constants included in the relaxation time equation based on the experimental result under the operating conditions typical for the supermarket refrigeration system. The modified HRM was compared to the HEM results, which were performed based on the comparison of motive nozzle and suction nozzle mass flow rates.

  19. Evaluation of CO2-Fluid-Rock Interaction in Enhanced Geothermal Systems: Field-Scale Geochemical Simulations

    Directory of Open Access Journals (Sweden)

    Feng Pan

    2017-01-01

    Full Text Available Recent studies suggest that using supercritical CO2 (scCO2 instead of water as a heat transmission fluid in Enhanced Geothermal Systems (EGS may improve energy extraction. While CO2-fluid-rock interactions at “typical” temperatures and pressures of subsurface reservoirs are fairly well known, such understanding for the elevated conditions of EGS is relatively unresolved. Geochemical impacts of CO2 as a working fluid (“CO2-EGS” compared to those for water as a working fluid (H2O-EGS are needed. The primary objectives of this study are (1 constraining geochemical processes associated with CO2-fluid-rock interactions under the high pressures and temperatures of a typical CO2-EGS site and (2 comparing geochemical impacts of CO2-EGS to geochemical impacts of H2O-EGS. The St. John’s Dome CO2-EGS research site in Arizona was adopted as a case study. A 3D model of the site was developed. Net heat extraction and mass flow production rates for CO2-EGS were larger compared to H2O-EGS, suggesting that using scCO2 as a working fluid may enhance EGS heat extraction. More aqueous CO2 accumulates within upper- and lower-lying layers than in the injection/production layers, reducing pH values and leading to increased dissolution and precipitation of minerals in those upper and lower layers. Dissolution of oligoclase for water as a working fluid shows smaller magnitude in rates and different distributions in profile than those for scCO2 as a working fluid. It indicates that geochemical processes of scCO2-rock interaction have significant effects on mineral dissolution and precipitation in magnitudes and distributions.

  20. 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

  1. 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.

  2. Evaluation of CO2-based cold sterilization of a model hydrogel.

    Science.gov (United States)

    Jiménez, A; Zhang, J; Matthews, M A

    2008-12-15

    The purpose of the present work is to evaluate a novel CO(2)-based cold sterilization process in terms of both its killing efficiency and its effects on the physical properties of a model hydrogel, poly(acrylic acid-co-acrylamide) potassium salt. Suspensions of Staphylococcus aureus and Escherichia coli were prepared for hydration and inoculation of the gel. The hydrogels were treated with supercritical CO(2) (40 degrees C, 27.6 MPa). The amount of bacteria was quantified before and after treatment. With pure CO(2), complete killing of S. aureus and E. coli was achieved for treatment times as low as 60 min. After treatment with CO(2) plus trace amounts of H(2)O(2) at the same experimental conditions, complete bacteria kill was also achieved. For times less than 30 min, incomplete kill was noted. Several physical properties of the gel were evaluated before and after SC-CO(2) treatment. These were largely unaffected by the CO(2) process. Drying curves showed no significant change between treated (pure CO(2) and CO(2) plus 30% H(2)O(2)) and untreated samples. The average equilibrium swelling ratios were also very similar. No changes in the dry hydrogel particle structure were evident from SEM micrographs.

  3. More on the losses of dissolved CO(2) during champagne serving: toward a multiparameter modeling.

    Science.gov (United States)

    Liger-Belair, Gérard; Parmentier, Maryline; Cilindre, Clara

    2012-11-28

    Pouring champagne into a glass is far from being inconsequential with regard to the dissolved CO(2) concentration found in champagne. Three distinct bottle types, namely, a magnum bottle, a standard bottle, and a half bottle, were examined with regard to their loss of dissolved CO(2) during the service of successively poured flutes. Whatever the bottle size, a decreasing trend is clearly observed with regard to the concentration of dissolved CO(2) found within a flute (from the first to the last one of a whole service). Moreover, when it comes to champagne serving, the bottle size definitely does matter. The higher the bottle volume, the better its buffering capacity with regard to dissolved CO(2) found within champagne during the pouring process. Actually, for a given flute number in a pouring data series, the concentration of dissolved CO(2) found within the flute was found to decrease as the bottle size decreases. The impact of champagne temperature (at 4, 12, and 20 °C) on the losses of dissolved CO(2) found in successively poured flutes for a given standard 75 cL bottle was also examined. Cold temperatures were found to limit the decreasing trend of dissolved CO(2) found within the successively poured flutes (from the first to the last one of a whole service). Our experimental results were discussed on the basis of a multiparameter model that accounts for the major physical parameters that influence the loss of dissolved CO(2) during the service of a whole bottle type.

  4. Pore-scale observation and 3D simulation of wettability effects on supercritical CO2 - brine immiscible displacement in drainage

    Science.gov (United States)

    Hu, R.; Wan, J.; Chen, Y.

    2016-12-01

    Wettability is a factor controlling the fluid-fluid displacement pattern in porous media and significantly affects the flow and transport of supercritical (sc) CO2 in geologic carbon sequestration. Using a high-pressure micromodel-microscopy system, we performed drainage experiments of scCO2 invasion into brine-saturated water-wet and intermediate-wet micromodels; we visualized the scCO2 invasion morphology at pore-scale under reservoir conditions. We also performed pore-scale numerical simulations of the Navier-Stokes equations to obtain 3D details of fluid-fluid displacement processes. Simulation results are qualitatively consistent with the experiments, showing wider scCO2 fingering, higher percentage of scCO2 and more compact displacement pattern in intermediate-wet micromodel. Through quantitative analysis based on pore-scale simulation, we found that the reduced wettability reduces the displacement front velocity, promotes the pore-filling events in the longitudinal direction, delays the breakthrough time of invading fluid, and then increases the displacement efficiency. Simulated results also show that the fluid-fluid interface area follows a unified power-law relation with scCO2 saturation, and show smaller interface area in intermediate-wet case which suppresses the mass transfer between the phases. These pore-scale results provide insights for the wettability effects on CO2 - brine immiscible displacement in geologic carbon sequestration.

  5. Model-experiment synthesis at two FACE sites in the southeastern US. Forest ecosystem responses to elevated CO[2]. (Invited)

    Science.gov (United States)

    Walker, A. P.; Zaehle, S.; De Kauwe, M. G.; Medlyn, B. E.; Dietze, M.; Hickler, T.; Iversen, C. M.; Jain, A. K.; Luo, Y.; McCarthy, H. R.; Parton, W. J.; Prentice, C.; Thornton, P. E.; Wang, S.; Wang, Y.; Warlind, D.; Warren, J.; Weng, E.; Hanson, P. J.; Oren, R.; Norby, R. J.

    2013-12-01

    Ecosystem observations from two long-term Free-Air CO[2] Enrichment (FACE) experiments (Duke forest and Oak Ridge forest) were used to evaluate the assumptions of 11 terrestrial ecosystem models and the consequences of those assumptions for the responses of ecosystem water, carbon (C) and nitrogen (N) fluxes to elevated CO[2] (eCO[2]). Nitrogen dynamics were the main constraint on simulated productivity responses to eCO[2]. At Oak Ridge some models reproduced the declining response of C and N fluxes, while at Duke none of the models were able to maintain the observed sustained responses. C and N cycles are coupled through a number of complex interactions, which causes uncertainty in model simulations in multiple ways. Nonetheless, the major difference between models and experiments was a larger than observed increase in N-use efficiency and lower than observed response of N uptake. The results indicate that at Duke there were mechanisms by which trees accessed additional N in response to eCO[2] that were not represented in the ecosystem models, and which did not operate with the same efficiency at Oak Ridge. Sequestration of the additional productivity under eCO[2] into forest biomass depended largely on C allocation. Allocation assumptions were classified into three main categories--fixed partitioning coefficients, functional relationships and a partial (leaf allocation only) optimisation. The assumption which best constrained model results was a functional relationship between leaf area and sapwood area (pipe-model) and increased root allocation when nitrogen or water were limiting. Both, productivity and allocation responses to eCO[2] determined the ecosystem-level response of LAI, which together with the response of stomatal conductance (and hence water-use efficiency; WUE) determined the ecosystem response of transpiration. Differences in the WUE response across models were related to the representation of the relationship of stomatal conductance to CO[2] and

  6. Modeling CO2-Water-Mineral Wettability and Mineralization for Carbon Geosequestration.

    Science.gov (United States)

    Liang, Yunfeng; Tsuji, Shinya; Jia, Jihui; Tsuji, Takeshi; Matsuoka, Toshifumi

    2017-07-18

    Carbon dioxide (CO 2 ) capture and storage (CCS) is an important climate change mitigation option along with improved energy efficiency, renewable energy, and nuclear energy. CO 2 geosequestration, that is, to store CO 2 under the subsurface of Earth, is feasible because the world's sedimentary basins have high capacity and are often located in the same region of the world as emission sources. How CO 2 interacts with the connate water and minerals is the focus of this Account. There are four trapping mechanisms that keep CO 2 in the pores of subsurface rocks: (1) structural trapping, (2) residual trapping, (3) dissolution trapping, and (4) mineral trapping. The first two are dominated by capillary action, where wettability controls CO 2 and water two-phase flow in porous media. We review state-of-the-art studies on CO 2 /water/mineral wettability, which was found to depend on pressure and temperature conditions, salt concentration in aqueous solutions, mineral surface chemistry, and geometry. We then review some recent advances in mineral trapping. First, we show that it is possible to reproduce the CO 2 /water/mineral wettability at a wide range of pressures using molecular dynamics (MD) simulations. As the pressure increases, CO 2 gas transforms into a supercritical fluid or liquid at ∼7.4 MPa depending on the environmental temperature. This transition leads to a substantial decrease of the interfacial tension between CO 2 and reservoir brine (or pure water). However, the wettability of CO 2 /water/rock systems depends on the type of rock surface. Recently, we investigated the contact angle of CO 2 /water/silica systems with two different silica surfaces using MD simulations. We found that contact angle increased with pressure for the hydrophobic (siloxane) surface while it was almost constant for the hydrophilic (silanol) surface, in excellent agreement with experimental observations. Furthermore, we found that the CO 2 thin films at the CO 2 -hydrophilic

  7. Functional response of a near-surface soil microbial community to a simulated underground CO2 storage leak.

    Science.gov (United States)

    Morales, Sergio E; Holben, William E

    2013-01-01

    Understanding the impacts of leaks from geologic carbon sequestration, also known as carbon capture and storage, is key to developing effective strategies for carbon dioxide (CO2) emissions management and mitigation of potential negative effects. Here, we provide the first report on the potential effects of leaks from carbon capture and storage sites on microbial functional groups in surface and near-surface soils. Using a simulated subsurface CO2 storage leak scenario, we demonstrate how CO2 flow upward through the soil column altered both the abundance (DNA) and activity (mRNA) of microbial functional groups mediating carbon and nitrogen transformations. These microbial responses were found to be seasonally dependent and correlated to shifts in atmospheric conditions. While both DNA and mRNA levels were affected by elevated CO2, they did not react equally, suggesting two separate mechanisms for soil microbial community response to high CO2 levels. The results did not always agree with previous studies on elevated atmospheric (rather than subsurface) CO2 using FACE (Free-Air CO2 Enrichment) systems, suggesting that microbial community response to CO2 seepage from the subsurface might differ from its response to atmospheric CO2 increases.

  8. A new approach to model CW CO2 laser using rate equations

    Indian Academy of Sciences (India)

    2016-11-11

    Nov 11, 2016 ... Abstract. Two popular methods to analyse the operation of CW CO2 lasers use the temperature model and ... Grouping of the vibration levels helped in restrict- ..... [10] D C Tyte, Carbon dioxide lasers, in: Advances in quan-.

  9. Experimental and CFD modelling for thermal comfort and CO2 concentration in office building

    Science.gov (United States)

    Kabrein, H.; Hariri, A.; Leman, A. M.; Yusof, M. Z. M.; Afandi, A.

    2017-09-01

    Computational fluid dynamic CFD was used for simulating air flow, indoor air distribution and contamination concentration. Gases pollution and thermal discomfort affected occupational health and productivity of work place. The main objectives of this study are to investigate the impact of air change rate in CO2 concentration and to estimate the profile of CO2 concentration in the offices building. The thermal comfort and gases contamination are investigated by numerical analysis CFD which was validated by experiment. Thus the air temperature, air velocity and CO2 concentration were measured at several points in the chamber with four occupants. Comparing between experimental and numerical results showed good agreement. In addition, the CO2 concentration around human recorded high, compared to the other area. Moreover, the thermal comfort in this study is within the ASHRAE standard 55-2004.

  10. 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

  11. Modelling Energy Systems and International Trade in CO2 Emission Quotas - The Kyoto Protocol and Beyond

    International Nuclear Information System (INIS)

    Persson, Tobias A.

    2002-01-01

    A transformation of the energy system in the 21st century is required if the CO 2 concentration in the atmosphere should be stabilized at a level that would prevent dangerous anthropogenic interference with the climate system. The industrialized countries have emitted most of the anthropogenic CO 2 released to the atmosphere since the beginning of the industrial era and still account for roughly two thirds of global fossil fuel related CO 2 emissions. Industrial country CO 2 emissions on a per capita basis are roughly five to ten times higher than those of developing countries. However, a global atmospheric CO 2 concentration target of 450 ppm, if adopted would require that global average per capita CO 2 emissions by the end of this century have to be comparable to those of developing countries today. The industrialized countries would have to reduce their emissions substantially and the emissions in developing countries could not follow a business-as-usual scenario. The transformation of the energy system and abatement of CO 2 emissions would need to occur in industrialized and developing countries. Energy-economy models have been developed to analyze of international trading in CO 2 emission permits. The thesis consists of three papers. The cost of meeting the Kyoto Protocol is estimated in the first paper. The Kyoto Protocol, which defines quantitative greenhouse gas emission commitments for industrialized countries over the period 2008-2012, is the first international agreement setting quantitative goals for abatement of CO 2 emissions from energy systems. The Protocol allows the creation of systems for trade in emission permits whereby countries exceeding their target levels can remain in compliance by purchasing surplus permits from other developed countries. However, a huge carbon surplus, which has been christened hot air, has been created in Russia and Ukraine since 1990 primarily because of the contraction of their economies. The current Unites States

  12. Simulation of a bubbling fluidized bed process for capturing CO2 from flue gas

    International Nuclear Information System (INIS)

    Choi, Jeong-Hoo; Yi, Chang-Keun; Jo, Sung-Ho; Ryu, Ho-Jung; Park, Young-Cheol

    2014-01-01

    We simulated a bubbling bed process capturing CO 2 from flue gas. It applied for a laboratory scale process to investigate effects of operating parameters on capture efficiency. The adsorber temperature had a stronger effect than the regenerator temperature. The effect of regenerator temperature was minor for high adsorber temperature. The effect of regenerator temperature decreased to level off for the temperature >250 .deg. C. The capture efficiency was rather dominated by the adsorption reaction than the regeneration reaction. The effect of gas velocity was as appreciable as that of adsorber temperature. The capture efficiency increased with the solids circulation rate since it was ruled by the molar ratio of K to CO 2 for solids circulation smaller than the minimum required one (G s, min ). However, it leveled off for solids circulation rate >G s, min . As the ratio of adsorber solids inventory to the total solids inventory (x w1 ) increased, the capture efficiency increased until x w1 =0.705, but decreased for x w1 >0.705 because the regeneration time decreased too small. It revealed that the regeneration reaction was faster than the adsorption reaction. Increase of total solids inventory is a good way to get further increase in capture efficiency

  13. 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

  14. 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

  15. Simulation of CO2 Injection in Porous Media with Structural Deformation Effect

    KAUST Repository

    Negara, Ardiansyah

    2011-01-01

    Carbon dioxide (CO2) sequestration is one of the most attractive methods to reduce the amount of CO2 in the atmosphere by injecting it into the geological formations. Furthermore, it is also an effective mechanism for enhanced oil recovery

  16. Evolution and challenges of dynamic global vegetation models for some aspects of plant physiology and elevated atmospheric CO2.

    Science.gov (United States)

    Rezende, L F C; Arenque, B C; Aidar, S T; Moura, M S B; Von Randow, C; Tourigny, E; Menezes, R S C; Ometto, J P H B

    2016-07-01

    Dynamic global vegetation models (DGVMs) simulate surface processes such as the transfer of energy, water, CO2, and momentum between the terrestrial surface and the atmosphere, biogeochemical cycles, carbon assimilation by vegetation, phenology, and land use change in scenarios of varying atmospheric CO2 concentrations. DGVMs increase the complexity and the Earth system representation when they are coupled with atmospheric global circulation models (AGCMs) or climate models. However, plant physiological processes are still a major source of uncertainty in DGVMs. The maximum velocity of carboxylation (Vcmax), for example, has a direct impact over productivity in the models. This parameter is often underestimated or imprecisely defined for the various plant functional types (PFTs) and ecosystems. Vcmax is directly related to photosynthesis acclimation (loss of response to elevated CO2), a widely known phenomenon that usually occurs when plants are subjected to elevated atmospheric CO2 and might affect productivity estimation in DGVMs. Despite this, current models have improved substantially, compared to earlier models which had a rudimentary and very simple representation of vegetation-atmosphere interactions. In this paper, we describe this evolution through generations of models and the main events that contributed to their improvements until the current state-of-the-art class of models. Also, we describe some main challenges for further improvements to DGVMs.

  17. Equality and CO2 emissions distribution in climate change integrated assessment modelling

    International Nuclear Information System (INIS)

    Cantore, Nicola; Padilla, Emilio

    2010-01-01

    The equity implications of alternative climate policy measures are an essential issue to be considered in the design of future international agreements to tackle global warming. This paper specifically analyses the future path of emissions and income distribution and its determinants in different scenarios. Whereas our analysis is driven by tools which are typically applied in the income distribution literature and which have recently been applied to the analysis of CO 2 emissions distribution, a new methodological approach is that our study is driven by simulations run with the popular regionalised optimal growth climate change model RICE99 over the 1995-2105 period. We find that the architecture of environmental policies, the implementation of flexible mechanisms and income concentration are key determinants of emissions distribution over time. In particular we find a robust positive relationship between measures of inequalities in the distribution of emissions and income and that their magnitude will essentially depend on technological change. (author)

  18. Fast Atmosphere-Ocean Model Runs with Large Changes in CO2

    Science.gov (United States)

    Russell, Gary L.; Lacis, Andrew A.; Rind, David H.; Colose, Christopher; Opstbaum, Roger F.

    2013-01-01

    How does climate sensitivity vary with the magnitude of climate forcing? This question was investigated with the use of a modified coupled atmosphere-ocean model, whose stability was improved so that the model would accommodate large radiative forcings yet be fast enough to reach rapid equilibrium. Experiments were performed in which atmospheric CO2 was multiplied by powers of 2, from 1/64 to 256 times the 1950 value. From 8 to 32 times, the 1950 CO2, climate sensitivity for doubling CO2 reaches 8 C due to increases in water vapor absorption and cloud top height and to reductions in low level cloud cover. As CO2 amount increases further, sensitivity drops as cloud cover and planetary albedo stabilize. No water vapor-induced runaway greenhouse caused by increased CO2 was found for the range of CO2 examined. With CO2 at or below 1/8 of the 1950 value, runaway sea ice does occur as the planet cascades to a snowball Earth climate with fully ice covered oceans and global mean surface temperatures near 30 C.

  19. Large divergence of satellite and Earth system model estimates of global terrestrial CO2 fertilization

    Science.gov (United States)

    Smith, W. Kolby; Reed, Sasha C.; Cleveland, Cory C.; Ballantyne, Ashley P; Anderegg, William R. L.; Wieder, William R.; Liu, Yi Y; Running, Steven W.

    2015-01-01

    Atmospheric mass balance analyses suggest that terrestrial carbon (C) storage is increasing, partially abating the atmospheric [CO2] growth rate, although the continued strength of this important ecosystem service remains uncertain. Some evidence suggests that these increases will persist owing to positive responses of vegetation growth (net primary productivity; NPP) to rising atmospheric [CO2] (that is, ‘CO2 fertilization’). Here, we present a new satellite-derived global terrestrial NPP data set, which shows a significant increase in NPP from 1982 to 2011. However, comparison against Earth system model (ESM) NPP estimates reveals a significant divergence, with satellite-derived increases (2.8 ± 1.50%) less than half of ESM-derived increases (7.6  ±  1.67%) over the 30-year period. By isolating the CO2 fertilization effect in each NPP time series and comparing it against a synthesis of available free-air CO2 enrichment data, we provide evidence that much of the discrepancy may be due to an over-sensitivity of ESMs to atmospheric [CO2], potentially reflecting an under-representation of climatic feedbacks and/or a lack of representation of nutrient constraints. Our understanding of CO2 fertilization effects on NPP needs rapid improvement to enable more accurate projections of future C cycle–climate feedbacks; we contend that better integration of modelling, satellite and experimental approaches offers a promising way forward.

  20. Hollow fiber membrane contactors for CO2 capture: modeling and up-scaling to CO2 capture for an 800 MWe coal power station

    NARCIS (Netherlands)

    Kimball, E.; Al-Azki, A.; Gomez, A.; Goetheer, E.L.V.; Booth, N.; Adams, D.; Ferre, D.

    2014-01-01

    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 CO2capture systems for power plants. In order to simulate the operation of industrial scale HFMMsystems, a

  1. Frictional behaviour and transport properties of simulated fault gouges derived from a natural CO2 reservoir

    NARCIS (Netherlands)

    Bakker, E.; Hangx, S.J.T.|info:eu-repo/dai/nl/30483579X; Niemeijer, A.R.|info:eu-repo/dai/nl/370832132; Spiers, C.J.|info:eu-repo/dai/nl/304829323

    2016-01-01

    We investigated the effects of long-term CO2-brine-rock interactions on the frictional and transport properties of reservoir-derived fault gouges, prepared from both unexposed and CO2-exposed sandstone, and from aragonite-cemented fault rock of an active CO2-leaking conduit, obtained from a natural

  2. Density-Driven Flow Simulation in Anisotropic Porous Media: Application to CO2 Geological Sequestration

    KAUST Repository

    Negara, Ardiansyah; Salama, Amgad; Sun, Shuyu

    2014-01-01

    Carbon dioxide (CO2) sequestration in saline aquifers is considered as one of the most viable and promising ways to reduce CO2 concentration in the atmosphere. CO2 is injected into deep saline formations at supercritical state where its density

  3. 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

  4. Feasible study of international cooperation on the long-term scenario for reducing CO2. DNE-21 simulation database; CO2 sakugen ni kakawaru choki scenario ni kansuru kokusai kyoryoku kanosei chosa. DNE21 simulation database

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1997-03-01

    This report describes calculation codes of DNE-21 which can simulate the optimization model for reducing CO2. The DNE-21 was modified from the former NE-21. The term was set between 2000 and 2100. Optimization can be conducted across the different time. Non-conventional petroleum was removed from the primary energy. Capacity of nuclear power generation facilities was taken in the model for the optimization. Decision making analysis can be done by considering the uncertainty. The DNE-21 has eleven input files including the model operation, technical property related data, cost related data, data of tax, subsidy and customs, and scenario data of future energy demand and supply, GNP, population and nuclear power. The DNE-21 has fifteen output files including the optimization calculation results for the world, Oceania, the Middle East, North Africa, Central America, South America, former USSR, and OECD countries. 2 figs.

  5. Thermodynamic modeling of liquid–liquid phase change solvents for CO2 capture

    DEFF Research Database (Denmark)

    Waseem Arshad, Muhammad; von Solms, Nicolas; Thomsen, Kaj

    2016-01-01

    A thermodynamic model based on Extended UNIQUAC framework has been developed in this work for the de-mixing liquid–liquid phase change solvents, DEEA (2-(diethylamino)ethanol) and MAPA (3-(methylamino)propylamine). Parameter estimation was performed for two ternary systems, H2O-DEEA-CO2 and H2O......-MAPA-CO2, and a quaternary system, H2O-DEEA-MAPA-CO2 (phase change system), by using different types of experimental data (equilibrium and thermal) consisting of pure amine vapor pressure, vapor-liquid equilibrium, solid-liquid equilibrium, liquid–liquid equilibrium, excess enthalpy, and heat of absorption...

  6. Non-Volcanic release of CO2 in Italy: quantification, conceptual models and gas hazard

    Science.gov (United States)

    Chiodini, G.; Cardellini, C.; Caliro, S.; Avino, R.

    2011-12-01

    Central and South Italy are characterized by the presence of many reservoirs naturally recharged by CO2 of deep provenance. In the western sector, the reservoirs feed hundreds of gas emissions at the surface. Many studies in the last years were devoted to (i) elaborating a map of CO2 Earth degassing of the region; (ii) to asses the gas hazard; (iii) to develop methods suitable for the measurement of the gas fluxes from different types of emissions; (iv) to elaborate the conceptual model of Earth degassing and its relation with the seismic activity of the region and (v) to develop physical numerical models of CO2 air dispersion. The main results obtained are: 1) A general, regional map of CO2 Earth degassing in Central Italy has been elaborated. The total flux of CO2 in the area has been estimated in ~ 10 Mt/a which are released to the atmosphere trough numerous dangerous gas emissions or by degassing spring waters (~ 10 % of the CO2 globally estimated to be released by the Earth trough volcanic activity). 2) An on line, open access, georeferenced database of the main CO2 emissions (~ 250) was settled up (http://googas.ov.ingv.it). CO2 flux > 100 t/d characterise 14% of the degassing sites while CO2 fluxes from 100 t/d to 10 t/d have been estimated for about 35% of the gas emissions. 3) The sites of the gas emissions are not suitable for life: the gas causes many accidents to animals and people. In order to mitigate the gas hazard a specific model of CO2 air dispersion has been developed and applied to the main degassing sites. A relevant application regarded Mefite d'Ansanto, southern Apennines, which is the largest natural emission of low temperature CO2 rich gases, from non-volcanic environment, ever measured in the Earth (˜2000 t/d). Under low wind conditions, the gas flows along a narrow natural channel producing a persistent gas river which has killed over a period of time many people and animals. The application of the physical numerical model allowed us to

  7. Hydrodynamical model and experimental results of a calcium looping cycle for CO2 capture

    International Nuclear Information System (INIS)

    Lisbona, Pilar; Martínez, Ana; Romeo, Luis M.

    2013-01-01

    Highlights: ► A scaled experimental cold flow model of a dual fluidized bed facility is presented. ► Two MATLAB models are developed for the single CFB and the dual CFB facility. ► Set of experiments are carried out and used to validate the mathematical model. ► Good agreement between model and experimental tests for sCFB. ► Further work required for validating dual CFB operation. -- Abstract: High temperature looping cycles involving solid circulation, such as carbonation–calcination, play an essential role among the CO 2 capture technologies under development. The low cost and high availability of Ca-based sorbents together with the feasibility of integration between these capture systems and existing power plants lead to very competitive potential costs of avoided CO 2 , below 20 €/tonne. Optimal configurations make use of several interconnected fluidized beds. One promising configuration for Ca-based sorbents looping systems relies on the use of two circulating beds (carbonator and calciner) and two bubbling beds acting as non-mechanical valves. Fluidized beds are well characterized when operating independently since they are extensively used in industrial applications, power and chemical plants. However, the operation when two or more fluidized beds exchange solid material through non-mechanical valves is still uncertain because of the more complex pressure balance of the system. Theoretical studies based on thermo-chemical simulations and experimental studies show that minimum CO 2 capture cost is attained with large solid circulation flow between reactors. The challenge is to reach the required particle circulation in a system with a complex configuration and be able to control it. Solid internal recirculation in any of these fluidized beds would provide flexibility in its control but it will also make harder the characterization of the whole system. The aim of this work is to analyse the hydrodynamics of the system and to generate a

  8. 华北地区油松林生态系统对气候变化和CO2浓度升高的响应——基于BIOME-BGC模型和树木年轮的模拟%Responses of Pinus tabulaeformis forest ecosystem in North China to climate change and elevated CO2 :A simulation based on BIOME-BGC model and tree-ring data

    Institute of Scientific and Technical Information of China (English)

    彭俊杰; 何兴元; 陈振举; 崔明星; 张先亮; 周长虹

    2012-01-01

    应用BIOME-BGC模型和树木年轮数据模拟1952-2008年华北地区典型油松林生态系统净初级生产力(NPP)动态,探究了树木径向生长和NPP对区域气候变暖的响应以及未来气候情景下油松林生态系统NPP动态变化.结果表明:1952-2008年,研究区油松林生态系统NPP波动于244.12 ~645.31 g C·m-2·a-1,平均值为418.6 g C·m-2·a-1.5-6月的平均温度和上年8月至当年7月的降水是限制该地区油松径向生长和油松林生态系统NPP的主要因子.研究期间,随着区域暖干化趋势的加强,树木径向生长和生态系统NPP均呈下降趋势.未来气候情景下,NPP对温度和降水的单独和复合变化的响应为正向.CO2浓度升高有利于油松林生态系统NPP的增加,CO2的施肥效应使NPP增加16.1%.在生态系统和区域水平,树木年轮是一种理想的指示生态系统动态变化的代用资料,可以检验和校正包括BIOME-BGC模型在内的各种生态系统过程模型.%Based on BIOME-BGC model and tree-ring data, a modeling study was conducted to estimate the dynamic changes of the net primary productivity ( NPP) of Pinus tabulaeformis forest ecosystem in North China in 1952-2008, and explore the responses of the radial growth and NPP to regional climate warming as well as the dynamics of the NPP in the future climate change scenarios. The simulation results indicated the annual NPP of the P. tabulaeformis ecosystem in 1952-2008 fluctuated from 244. 12 to 645. 31 g C · m-2 · a-1, with a mean value of 418. 6 g C · m-2 · a-1. The mean air temperature in May-June and the precipitation from previous August to current July were the main factors limiting the radial growth of P. tabulaeformis and the NPP of P. tabulaeformis ecosystem. In the study period, both the radial growth and the NPP presented a decreasing trend due to the regional warming and drying climate condition. In the future climate scenarios, the NPP would have positive responses to the

  9. Analysis on influence factors of China's CO2 emissions based on Path-STIRPAT model

    International Nuclear Information System (INIS)

    Li Huanan; Mu Hailin; Zhang Ming; Li Nan

    2011-01-01

    With the intensification of global warming and continued growth in energy consumption, China is facing increasing pressure to cut its CO 2 (carbon dioxide) emissions down. This paper discusses the driving forces influencing China's CO 2 emissions based on Path-STIRPAT model-a method combining Path analysis with STIRPAT (stochastic impacts by regression on population, affluence and technology) model. The analysis shows that GDP per capita (A), industrial structure (IS), population (P), urbanization level (R) and technology level (T) are the main factors influencing China's CO 2 emissions, which exert an influence interactively and collaboratively. The sequence of the size of factors' direct influence on China's CO 2 emission is A>T>P>R>IS, while that of factors' total influence is A>R>P>T>IS. One percent increase in A, IS, P, R and T leads to 0.44, 1.58, 1.31, 1.12 and -1.09 percentage change in CO 2 emission totally, where their direct contribution is 0.45, 0.07, 0.63, 0.08, 0.92, respectively. Improving T is the most important way for CO 2 reduction in China. - Highlights: → We analyze the driving forces influencing China's CO 2 emissions. → Five macro factors like per capita GDP are the main influencing factors. → These factors exert an influence interactively and collaboratively. → Different factors' direct and total influence on China's CO 2 emission is different. → Improving technology level is the most important way for CO 2 reduction in China.

  10. 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

  11. Analyzing impact factors of CO2 emissions using the STIRPAT model

    International Nuclear Information System (INIS)

    Fan Ying; Liu Lancui; Wu Gang; Wei Yiming

    2006-01-01

    Using the STIRPAT model, this paper analyzes the impact of population, affluence and technology on the total CO 2 emissions of countries at different income levels over the period 1975-2000. Our main results show at the global level that economic growth has the greatest impact on CO 2 emissions, and the proportion of the population between ages 15 and 64 has the least impact. The proportion of the population between 15 and 64 has a negative impact on the total CO 2 emissions of countries at the high income level, but the impact is positive at other income levels. This may illustrate the importance of the 'B' in the 'I = PABT'; that is to say that different behavior fashions can greatly influence environmental change. For low-income countries, the impact of GDP per capita on total CO 2 emissions is very great, and the impact of energy intensity in upper-middle income countries is very great. The impact of these factors on the total CO 2 emissions of countries at the high income level is relatively great. Therefore, these empirical results indicate that the impact of population, affluence and technology on CO 2 emissions varies at different levels of development. Thus, policy-makers should consider these matters fully when they construct their long-term strategies for CO 2 abatement

  12. Mass transport modelling for the electroreduction of CO2 on Cu nanowires

    Science.gov (United States)

    Raciti, David; Mao, Mark; Wang, Chao

    2018-01-01

    Mass transport plays an important role in CO2 reduction electrocatalysis. Albeit being more pronounced on nanostructured electrodes, the studies of mass transport for CO2 reduction have yet been limited to planar electrodes. We report here the development of a mass transport model for the electroreduction of CO2 on Cu nanowire electrodes. Fed with the experimental data from electrocatalytic studies, the local concentrations of CO2, {{{{HCO}}}3}-,{{{{CO}}}3}2- and OH- on the nanostructured electrodes are calculated by solving the diffusion equations with spatially distributed electrochemical reaction terms incorporated. The mass transport effects on the catalytic activity and selectivity of the Cu nanowire electrocatalysts are thus discussed by using the local pH as the descriptor. The established correlations between the electrocatalytic performance and the local pH shows that, the latter does not only determine the acid-base reaction equilibrium, but also regulates the mass transport and reaction kinetics. Based on these findings, the optimal range of local pH for CO2 reduction is discussed in terms of a fine balance among the suppression of hydrogen evolution, improvement of C2 product selectivity and limitation of CO2 supply. Our work highlights the importance of understanding the mass transport effects in interpretation of CO2 reduction electrocatalysis on high-surface-area catalysts.

  13. Research on CO2 ejector component efficiencies by experiment measurement and distributed-parameter modeling

    International Nuclear Information System (INIS)

    Zheng, Lixing; Deng, Jianqiang

    2017-01-01

    Highlights: • The ejector distributed-parameter model is developed to study ejector efficiencies. • Feasible component and total efficiency correlations of ejector are established. • New efficiency correlations are applied to obtain dynamic characteristics of EERC. • More suitable fixed efficiency value can be determined by the proposed correlations. - Abstract: In this study we combine the experimental measurement data and the theoretical model of ejector to determine CO 2 ejector component efficiencies including the motive nozzle, suction chamber, mixing section, diffuser as well as the total ejector efficiency. The ejector is modeled utilizing the distributed-parameter method, and the flow passage is divided into a number of elements and the governing equations are formulated based on the differential equation of mass, momentum and energy conservation. The efficiencies of ejector are investigated under different ejector geometric parameters and operational conditions, and the corresponding empirical correlations are established. Moreover, the correlations are incorporated into a transient model of transcritical CO 2 ejector expansion refrigeration cycle (EERC) and the dynamic simulations is performed based on variable component efficiencies and fixed values. The motive nozzle, suction chamber, mixing section and diffuser efficiencies vary from 0.74 to 0.89, 0.86 to 0.96, 0.73 to 0.9 and 0.75 to 0.95 under the studied conditions, respectively. The response diversities of suction flow pressure and discharge pressure are obvious between the variable efficiencies and fixed efficiencies referring to the previous studies, while when the fixed value is determined by the presented correlations, their response differences are basically the same.

  14. Simulations and experimental investigations of the competitive adsorption of CH4 and CO2 on low-rank coal vitrinite.

    Science.gov (United States)

    Yu, Song; Bo, Jiang; Jiahong, Li

    2017-09-16

    The mechanism for the competitive adsorption of CH 4 and CO 2 on coal vitrinite (DV-8, maximum vitrinite reflectance R o,max  = 0.58%) was revealed through simulation and experimental methods. A saturated state was reached after absorbing 17 CH 4 or 22 CO 2 molecules per DV-8 molecule. The functional groups (FGs) on the surface of the vitrinite can be ranked in order of decreasing CH 4 and CO 2 adsorption ability as follows: [-CH 3 ] > [-C=O] > [-C-O-C-] > [-COOH] and [-C-O-C-] > [-C=O] > [-CH 3 ] > [-COOH]. CH 4 and CO 2 distributed as aggregations and they were both adsorbed at the same sites on vitrinite, indicating that CO 2 can replace CH 4 by occupying the main adsorption sites for CH 4 -vitrinite. High temperatures are not conducive to the adsorption of CH 4 and CO 2 on vitrinite. According to the results of density functional theory (DFT) and grand canonical Monte Carlo (GCMC) calculations, vitrinite has a higher adsorption capacity for CO 2 than for CH 4 , regardless of whether a single-component or binary adsorbate is considered. The equivalent adsorption heat (EAH) of CO 2 -vitrinite (23.02-23.17) is higher than that of CH 4 -vitrinite (9.04-9.40 kJ/mol). The EAH of CO 2 -vitrinite decreases more rapidly with increasing temperature than the EAH of CH 4 -vitrinite does, indicating in turn that the CO 2 -vitrinite bond weakens more quickly with increasing temperature than the CH 4 -vitrinite bond does. Simulation data were found to be in good accord with the corresponding experimental results.

  15. Inverse Modeling of Water-Rock-CO2 Batch Experiments: Potential Impacts on Groundwater Resources at Carbon Sequestration Sites.

    Science.gov (United States)

    Yang, Changbing; Dai, Zhenxue; Romanak, Katherine D; Hovorka, Susan D; Treviño, Ramón H

    2014-01-01

    This study developed a multicomponent geochemical model to interpret responses of water chemistry to introduction of CO2 into six water-rock batches with sedimentary samples collected from representative potable aquifers in the Gulf Coast area. The model simulated CO2 dissolution in groundwater, aqueous complexation, mineral reactions (dissolution/precipitation), and surface complexation on clay mineral surfaces. An inverse method was used to estimate mineral surface area, the key parameter for describing kinetic mineral reactions. Modeling results suggested that reductions in groundwater pH were more significant in the carbonate-poor aquifers than in the carbonate-rich aquifers, resulting in potential groundwater acidification. Modeled concentrations of major ions showed overall increasing trends, depending on mineralogy of the sediments, especially carbonate content. The geochemical model confirmed that mobilization of trace metals was caused likely by mineral dissolution and surface complexation on clay mineral surfaces. Although dissolved inorganic carbon and pH may be used as indicative parameters in potable aquifers, selection of geochemical parameters for CO2 leakage detection is site-specific and a stepwise procedure may be followed. A combined study of the geochemical models with the laboratory batch experiments improves our understanding of the mechanisms that dominate responses of water chemistry to CO2 leakage and also provides a frame of reference for designing monitoring strategy in potable aquifers.

  16. Short-term effects of CO2 leakage on the soil bacterial community in a simulated gas leakage scenario.

    Science.gov (United States)

    Ma, Jing; Zhang, Wangyuan; Zhang, Shaoliang; Zhu, Qianlin; Feng, Qiyan; Chen, Fu

    2017-01-01

    The technology of carbon dioxide (CO 2 ) capture and storage (CCS) has provided a new option for mitigating global anthropogenic emissions with unique advantages. However, the potential risk of gas leakage from CO 2 sequestration and utilization processes has attracted considerable attention. Moreover, leakage might threaten soil ecosystems and thus cannot be ignored. In this study, a simulation experiment of leakage from CO 2 geological storage was designed to investigate the short-term effects of different CO 2 leakage concentration (from 400 g m -2 day -1 to 2,000 g m -2 day -1 ) on soil bacterial communities. A shunt device and adjustable flow meter were used to control the amount of CO 2 injected into the soil. Comparisons were made between soil physicochemical properties, soil enzyme activities, and microbial community diversity before and after injecting different CO 2 concentrations. Increasing CO 2 concentration decreased the soil pH, and the largest variation ranged from 8.15 to 7.29 ( p soil CO 2 concentration increased. The dominant phylum in the soil samples was Proteobacteria , whose proportion rose rapidly from 28.85% to 67.93%. In addition, the proportion of Acidobacteria decreased from 19.64% to 9.29% ( p soil ecosystems.

  17. Estimation of CO2 emission from water treatment plant--model development and application.

    Science.gov (United States)

    Kyung, Daeseung; Kim, Dongwook; Park, Nosuk; Lee, Woojin

    2013-12-15

    A comprehensive mathematical model developed for this study was used to compare estimates of on-site and off-site CO2 emissions, from conventional and advanced water treatment plants (WTPs). When 200,000 m(3) of raw water at 10 NTU (Nepthelometric Turbidity Unit) was treated by a conventional WTP to 0.1 NTU using aluminum sulfate as a coagulant, the total CO2 emissions were estimated to be 790 ± 228 (on-site) and 69,596 ± 3950 (off-site) kg CO2e/d. The emissions from an advanced WTP containing micro-filtration (MF) membrane and ozone disinfection processes; treating the same raw water to 0.005 NTU, were estimated to be 395 ± 115 (on-site) and 38,197 ± 2922 (off-site) kg CO2e/d. The on-site CO2 emissions from the advanced WTP were half that from the conventional WTP due to much lower use of coagulant. On the other hand, off-site CO2 emissions due to consumption of electricity were 2.14 times higher for the advanced WTP, due to the demands for operation of the MF membrane and ozone disinfection processes. However, the lower use of chemicals in the advanced WTP decreased off-site CO2 emissions related to chemical production and transportation. Overall, total CO2 emissions from the conventional WTP were 1.82 times higher than that from the advanced WTP. A sensitivity analysis was performed for the advanced WTP to suggest tactics for simultaneously reducing CO2 emissions further and enhancing water quality. Copyright © 2013 Elsevier Ltd. All rights reserved.

  18. 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.

  19. Cheminformatics Modeling of Amine Solutions for Assessing their CO2 Absorption Properties.

    Science.gov (United States)

    Kuenemann, Melaine A; Fourches, Denis

    2017-07-01

    As stricter regulations on CO 2 emissions are adopted worldwide, identifying efficient chemical processes to capture and recycle CO 2 is of critical importance for industry. The most common process known as amine scrubbing suffers from the lack of available amine solutions capable of capturing CO 2 efficiently. Tertiary amines characterized by low heats of reaction are considered good candidates but their absorption properties can significantly differ from one analogue to another despite high structural similarity. Herein, after collecting and curating experimental data from the literature, we have built a modeling set of 41 amine structures with their absorption properties. Then we analyzed their chemical composition using molecular descriptors and non-supervised clustering. Furthermore, we developed a series of quantitative structure-property relationships (QSPR) to assess amines' CO 2 absorption properties from their structural characteristics. These models afforded reasonable prediction performances (e. g., Q 2 LOO =0.63 for CO 2 absorption amount) even though they are solely based on 2D chemical descriptors and individual machine learning techniques (random forest and neural network). Overall, we believe the chemical analysis and the series of QSPR models presented in this proof-of-concept study represent new knowledge and innovative tools that could be very useful for screening and prioritizing hypothetical amines to be synthesized and tested experimentally for their CO 2 absorption properties. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  20. 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.

  1. Groundwater data improve modelling of headwater stream CO2 outgassing with a stable DIC isotope approach

    Directory of Open Access Journals (Sweden)

    A. Marx

    2018-05-01

    Full Text Available A large portion of terrestrially derived carbon outgasses as carbon dioxide (CO2 from streams and rivers to the atmosphere. Particularly, the amount of CO2 outgassing from small headwater streams is highly uncertain. Conservative estimates suggest that they contribute 36 % (i.e. 0.93 petagrams (Pg C yr−1 of total CO2 outgassing from all fluvial ecosystems on the globe. In this study, stream pCO2, dissolved inorganic carbon (DIC, and δ13CDIC data were used to determine CO2 outgassing from an acidic headwater stream in the Uhlířská catchment (Czech Republic. This stream drains a catchment with silicate bedrock. The applied stable isotope model is based on the principle that the 13C ∕ 12C ratio of its sources and the intensity of CO2 outgassing control the isotope ratio of DIC in stream water. It avoids the use of the gas transfer velocity parameter (k, which is highly variable and mostly difficult to constrain. Model results indicate that CO2 outgassing contributed more than 80 % to the annual stream inorganic carbon loss in the Uhlířská catchment. This translated to a CO2 outgassing rate from the stream of 34.9 kg C m−2 yr−1 when normalised to the stream surface area. Large temporal variations with maximum values shortly before spring snowmelt and in summer emphasise the need for investigations at higher temporal resolution. We improved the model uncertainty by incorporating groundwater data to better constrain the isotope compositions of initial DIC. Due to the large global abundance of acidic, humic-rich headwaters, we underline the importance of this integral approach for global applications.

  2. Groundwater data improve modelling of headwater stream CO2 outgassing with a stable DIC isotope approach

    Science.gov (United States)

    Marx, Anne; Conrad, Marcus; Aizinger, Vadym; Prechtel, Alexander; van Geldern, Robert; Barth, Johannes A. C.

    2018-05-01

    A large portion of terrestrially derived carbon outgasses as carbon dioxide (CO2) from streams and rivers to the atmosphere. Particularly, the amount of CO2 outgassing from small headwater streams is highly uncertain. Conservative estimates suggest that they contribute 36 % (i.e. 0.93 petagrams (Pg) C yr-1) of total CO2 outgassing from all fluvial ecosystems on the globe. In this study, stream pCO2, dissolved inorganic carbon (DIC), and δ13CDIC data were used to determine CO2 outgassing from an acidic headwater stream in the Uhlířská catchment (Czech Republic). This stream drains a catchment with silicate bedrock. The applied stable isotope model is based on the principle that the 13C / 12C ratio of its sources and the intensity of CO2 outgassing control the isotope ratio of DIC in stream water. It avoids the use of the gas transfer velocity parameter (k), which is highly variable and mostly difficult to constrain. Model results indicate that CO2 outgassing contributed more than 80 % to the annual stream inorganic carbon loss in the Uhlířská catchment. This translated to a CO2 outgassing rate from the stream of 34.9 kg C m-2 yr-1 when normalised to the stream surface area. Large temporal variations with maximum values shortly before spring snowmelt and in summer emphasise the need for investigations at higher temporal resolution. We improved the model uncertainty by incorporating groundwater data to better constrain the isotope compositions of initial DIC. Due to the large global abundance of acidic, humic-rich headwaters, we underline the importance of this integral approach for global applications.

  3. Phase equilibrium data and thermodynamic modeling of the system (CO2 + biodiesel + methanol) at high pressures

    International Nuclear Information System (INIS)

    Pinto, Leandro F.; Segalen da Silva, Diogo Italo; Rosa da Silva, Fabiano; Ramos, Luiz P.; Ndiaye, Papa M.; Corazza, Marcos L.

    2012-01-01

    Highlights: → We measured phase behavior for the system involving {CO 2 + biodiesel + methanol}. → The saturation pressures were obtained using a variable-volume view cell. → The experimental data were modeled using PR-vdW2 and PR-WS equations of state. - Abstract: The main objective of this work was to investigate the high pressure phase behavior of the binary systems {CO 2 (1) + methanol(2)} and {CO 2 (1) + soybean methyl esters (biodiesel)(2)} and the ternary system {CO 2 (1) + biodiesel(2) + methanol(3)} were determined. Biodiesel was produced from soybean oil, purified, characterized and used in this work. The static synthetic method, using a variable-volume view cell, was employed to obtain the experimental data in the temperature range of (303.15 to 343.15) K and pressures up to 21 MPa. The mole fractions of carbon dioxide were varied according to the systems as follows: (0.2383 to 0.8666) for the binary system {CO 2 (1) + methanol(2)}; (0.4201 to 0.9931) for the binary system {CO 2 (1) + biodiesel(2)}; (0.4864 to 0.9767) for the ternary system {CO 2 (1) + biodiesel(2) + methanol(3)} with a biodiesel to methanol molar ratio of (1:3); and (0.3732 to 0.9630) for the system {CO 2 + biodiesel + methanol} with a biodiesel to methanol molar ratio of (8:1). For these systems, (vapor + liquid), (liquid + liquid), (vapor + liquid + liquid) transitions were observed. The phase equilibrium data obtained for the systems were modeled using the Peng-Robinson equation of state with the classical van der Waals (PR-vdW2) and Wong-Sandler (PR-WS) mixing rules. Both thermodynamic models were able to satisfactorily correlate the phase behavior of the systems investigated and the PR-WS presented the best performance.

  4. Modeling experimental stable isotope results from CO2 adsorption and diffusion experiments

    Science.gov (United States)

    Larson, T. E.

    2012-12-01

    steadily increased and became constant after two pore volumes of CO2 flushed through the column. Carbon and oxygen isotope values of the front of the peak (first pore volume) are 2‰ and 5‰ lower than the injected CO2 values, respectively. These results are fit very well using a mass transfer model that only includes binary diffusion between CO2 and helium that account for isotope substitution in the reduced mass coefficient. In contrast to these diffusion-dominated systems, CO2 break through curves from the illite packed column show strong adsorption effects that include a +180‰ increase in the carbon isotope ratio at the front of the peak followed by a 20‰ decrease. Up to 20 pore volumes of CO2 were flushed through the column before the carbon and oxygen isotope values stabilized to their starting values. These adsorption effects cannot be modeled using mass isotope effects alone, and instead must include additional parameters such as volume effects. These results demonstrate the importance of understanding the isotopic effects of CO2 in different substrates, and potentially offers a tracer tool that can be used to quantify surface area, transport distance, and surface reactivity of CO2. Additional applications may include more affectively determining transfer rates of CO2 across low permeability zones.

  5. 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

  6. Decarbonizing the European electricity sector. Modeling and policy analysis for electricity and CO_2 infrastructure networks

    International Nuclear Information System (INIS)

    Oei, Pao-Yu Charly Robin

    2016-01-01

    This dissertation uses three models to analyze different decarbonization strategies for combating global climate change: The cost minimizing mixed-integer model CCTS-Mod examines the economics of Carbon Capture, Transport, and Storage (CCTS) for the electricity and industry sector; the welfare maximizing quadratically constrained model ELMOD focuses on different trajectories for renewable energy sources (RES) and transmission grid expansions; and the equilibrium model ELCO combines the insights of the individual sectors to a combined CCTS and electricity investment and dispatch model. Modeling results show that an investment in CCTS is beneficial for the iron and steel sector once the CO_2 certificate price exceeds 50 Euros/t CO_2. The threshold is 75 Euros/t CO_2 for the cement industry and 100 Euros/t CO_2 for the electricity sector. Additional revenues from using CO_2 for enhanced oil recovery (CO_2-EOR) lead to an earlier adoption of CCTS in the North Sea region. The lack of economies of scale results in increasing CO_2 storage costs of more than 30%, while transport costs even double. Research from the last years, however, indicates that CCTS is unlikely to play an important role in decarbonizing the electricity sector. The identified reasons for this are incumbents' resistance to structural change, wrong technology choices, over-optimistic cost estimates, a premature focus on energy projects instead of industry, and the underestimation of transport and storage issues. Keeping global temperature rise below 2 C therefore implies the phase-out of fossilfueled power plants and, in particular, of CO_2-intensive coal power plants. The low CO_2 price established by the European Emissions Trading Scheme is insufficient to induce a fuel switch in the medium term. Therefore, supplementary national measures are necessary to reduce coal-based power generation; i.a. feed-in tariffs for RES, minimum CO_2 prices, or emissions performance standards. Analyses for Germany show

  7. Development of CO2 inversion system based on the adjoint of the global coupled transport model

    Science.gov (United States)

    Belikov, Dmitry; Maksyutov, Shamil; Chevallier, Frederic; Kaminski, Thomas; Ganshin, Alexander; Blessing, Simon

    2014-05-01

    limited regions close to the monitoring sites (using the LPDM part), and at coarse resolution for the rest of the globe (using the Eulerian part), minimizing aggregation errors and computation cost. The adjoint of the coupled high-resolution Eulerian-Lagrangian model will be incorporated into the PYVAR CO2 variational inverse system (Chevallier et al., 2005). Chevallier, F., Fisher, M., Peylin, P., Serrar, S., Bousquet, P., Bréon, F.-M., Chédin, A., and Ciais, P.: Inferring CO2 sources and sinks from satellite observations: method and application to TOVS data, J. Geophys. Res., 110, D24309, doi:10.1029/2005JD006390, 2005.

  8. Industrial point source CO2 emission strength estimation with aircraft measurements and dispersion modelling.

    Science.gov (United States)

    Carotenuto, Federico; Gualtieri, Giovanni; Miglietta, Franco; Riccio, Angelo; Toscano, Piero; Wohlfahrt, Georg; Gioli, Beniamino

    2018-02-22

    CO 2 remains the greenhouse gas that contributes most to anthropogenic global warming, and the evaluation of its emissions is of major interest to both research and regulatory purposes. Emission inventories generally provide quite reliable estimates of CO 2 emissions. However, because of intrinsic uncertainties associated with these estimates, it is of great importance to validate emission inventories against independent estimates. This paper describes an integrated approach combining aircraft measurements and a puff dispersion modelling framework by considering a CO 2 industrial point source, located in Biganos, France. CO 2 density measurements were obtained by applying the mass balance method, while CO 2 emission estimates were derived by implementing the CALMET/CALPUFF model chain. For the latter, three meteorological initializations were used: (i) WRF-modelled outputs initialized by ECMWF reanalyses; (ii) WRF-modelled outputs initialized by CFSR reanalyses and (iii) local in situ observations. Governmental inventorial data were used as reference for all applications. The strengths and weaknesses of the different approaches and how they affect emission estimation uncertainty were investigated. The mass balance based on aircraft measurements was quite succesful in capturing the point source emission strength (at worst with a 16% bias), while the accuracy of the dispersion modelling, markedly when using ECMWF initialization through the WRF model, was only slightly lower (estimation with an 18% bias). The analysis will help in highlighting some methodological best practices that can be used as guidelines for future experiments.

  9. Shifts in nitrogen acquisition strategies enable enhanced terrestrial carbon storage under elevated CO2 in a global model

    Science.gov (United States)

    Sulman, B. N.; Brzostek, E. R.; Menge, D.; Malyshev, S.; Shevliakova, E.

    2017-12-01

    Earth System Model (ESM) projections of terrestrial carbon (C) uptake are critical to understanding the future of the global C cycle. Current ESMs include intricate representations of photosynthetic C fixation in plants, allowing them to simulate the stimulatory effect of increasing atmospheric CO2 levels on photosynthesis. However, they lack sophisticated representations of plant nutrient acquisition, calling into question their ability to project the future land C sink. We conducted simulations using a new model of terrestrial C and nitrogen (N) cycling within the Geophysical Fluid Dynamics Laboratory (GFDL) global land model LM4 that uses a return on investment framework to simulate global patterns of N acquisition via fixation of N2 from the atmosphere, scavenging of inorganic N from soil solution, and mining of organic N from soil organic matter (SOM). We show that these strategies drive divergent C cycle responses to elevated CO2 at the ecosystem scale, with the scavenging strategy leading to N limitation of plant growth and the mining strategy facilitating stimulation of plant biomass accumulation over decadal time scales. In global simulations, shifts in N acquisition from inorganic N scavenging to organic N mining along with increases in N fixation supported long-term acceleration of C uptake under elevated CO2. Our results indicate that the ability of the land C sink to mitigate atmospheric CO2 levels is tightly coupled to the functional diversity of ecosystems and their capacity to change their N acquisition strategies over time. Incorporation of these mechanisms into ESMs is necessary to improve confidence in model projections of the global C cycle.

  10. Prediction of heat capacity of amine solutions using artificial neural network and thermodynamic models for CO2 capture processes

    Science.gov (United States)

    Afkhamipour, Morteza; Mofarahi, Masoud; Borhani, Tohid Nejad Ghaffar; Zanganeh, Masoud

    2018-03-01

    In this study, artificial neural network (ANN) and thermodynamic models were developed for prediction of the heat capacity ( C P ) of amine-based solvents. For ANN model, independent variables such as concentration, temperature, molecular weight and CO2 loading of amine were selected as the inputs of the model. The significance of the input variables of the ANN model on the C P values was investigated statistically by analyzing of correlation matrix. A thermodynamic model based on the Redlich-Kister equation was used to correlate the excess molar heat capacity ({C}_P^E) data as function of temperature. In addition, the effects of temperature and CO2 loading at different concentrations of conventional amines on the C P values were investigated. Both models were validated against experimental data and very good results were obtained between two mentioned models and experimental data of C P collected from various literatures. The AARD between ANN model results and experimental data of C P for 47 systems of amine-based solvents studied was 4.3%. For conventional amines, the AARD for ANN model and thermodynamic model in comparison with experimental data were 0.59% and 0.57%, respectively. The results showed that both ANN and Redlich-Kister models can be used as a practical tool for simulation and designing of CO2 removal processes by using amine solutions.

  11. Practical enhancement factor model based on GM for multiple parallel reactions: Piperazine (PZ) CO2 capture

    DEFF Research Database (Denmark)

    Gaspar, Jozsef; Fosbøl, Philip Loldrup

    2017-01-01

    Reactive absorption is a key process for gas separation and purification and it is the main technology for CO2 capture. Thus, reliable and simple mathematical models for mass transfer rate calculation are essential. Models which apply to parallel interacting and non-interacting reactions, for all......, desorption and pinch conditions.In this work, we apply the GM model to multiple parallel reactions. We deduce the model for piperazine (PZ) CO2 capture and we validate it against wetted-wall column measurements using 2, 5 and 8 molal PZ for temperatures between 40 °C and 100 °C and CO2 loadings between 0.......23 and 0.41 mol CO2/2 mol PZ. We show that overall second order kinetics describes well the reaction between CO2 and PZ accounting for the carbamate and bicarbamate reactions. Here we prove the GM model for piperazine and MEA but we expect that this practical approach is applicable for various amines...

  12. CO2 Mass transfer model for carbonic anhydrase-enhanced aqueous MDEA solutions

    DEFF Research Database (Denmark)

    Gladis, Arne Berthold; Deslauriers, Maria Gundersen; Neerup, Randi

    2018-01-01

    In this study a CO2 mass transfer model was developed for carbonic anhydrase-enhanced MDEA solutions based on a mechanistic kinetic enzyme model. Four different enzyme models were compared in their ability to predict the liquid side mass transfer coefficient at temperatures in the range of 298...

  13. Simulating trends in crop yield and soil carbon in a long-term experiment - effects of rising CO2, N deposition and improved cultivation

    DEFF Research Database (Denmark)

    Berntsen, Jørgen; Petersen, Bjørn Molt; Olesen, Jørgen E.

    2006-01-01

    Measurements of crop yield and soil carbon in the Bad Lauchstädt long-term fertiliser experiment were analysed with the FASSET model. The model satisfactorily predicted yield and soil carbon development in four treatments: no fertiliser, mineral fertiliser, farmyard manure and farmyard manure plus...... was the use of new crop varieties and/or pesticides, while the increase in atmospheris CO2 and changes in local N deposition were of lesser importance. The rise in CO2 thus only explained 9-37% of the yield increase. The observed and simulated developments in soil carbon were quite different in the four...

  14. Evaluating Potential for Large Releases from CO2 Storage Reservoirs: Analogs, Scenarios, and Modeling Needs

    International Nuclear Information System (INIS)

    Birkholzer, Jens; Pruess, Karsten; Lewicki, Jennifer; Tsang, Chin-Fu; Karimjee, Anhar

    2005-01-01

    While the purpose of geologic storage of CO 2 in deep saline formations is to trap greenhouse gases underground, the potential exists for CO 2 to escape from the target reservoir, migrate upward along permeable pathways, and discharge at the land surface. Such discharge is not necessarily a serious concern, as CO 2 is a naturally abundant and relatively benign gas in low concentrations. However, there is a potential risk to health, safety and environment (HSE) in the event that large localized fluxes of CO 2 were to occur at the land surface, especially where CO 2 could accumulate. In this paper, we develop possible scenarios for large CO 2 fluxes based on the analysis of natural analogues, where large releases of gas have been observed. We are particularly interested in scenarios which could generate sudden, possibly self-enhancing, or even eruptive release events. The probability for such events may be low, but the circumstances under which they might occur and potential consequences need to be evaluated in order to design appropriate site selection and risk management strategies. Numerical modeling of hypothetical test cases is needed to determine critical conditions for such events, to evaluate whether such conditions may be possible at designated storage sites, and, if applicable, to evaluate the potential HSE impacts of such events and design appropriate mitigation strategies

  15. New Model of the night-time CO2 4.3 µm emissions in the mesosphere/lower thermosphere

    Science.gov (United States)

    Panka, P.; Kutepov, A. A.; Kalogerakis, K. S.; Janches, D.; Russell, J. M., III; Rezac, L.; Feofilov, A.; Mlynczak, M. G.; Yiğit, E.

    2016-12-01

    We present a new non-LTE model of the night-time CO2 4.3 µm emissions in the MLT which accounts for various mechanisms of the non-thermal excitation of CO2 molecules. We pay specific attention to the transfer of vibrational energy of OH(v), produced in the chemical reaction H + O3, to the CO2(v3) vibrational mode. Two energy transfer channels are studied: 1) the "direct" mechanism, OH(v)→N2(v)→CO2(v3)→4.3 µm, suggested by Kumer et al, [1978], and 2) the new "indirect" mechanism, OH(v)→O(1D)→N2(v)→CO2(ν3)→4.3 µm, recently suggested by Sharma et al. [2015]. We show that for various seasonal scenarios above 75 km, the "direct" mechanism alone under-predicts the observed radiance between 30-70%, from 60°S-80°N. However, considering both the "direct" and "indirect" mechanism brings differences between simulated and measured nighttime SABER 4.3 µm limb radiances down to ±10% from 75-85 km and ±20% from 85-110km for the same region. These results suggest that the important mechanism of the nighttime 4.3 µm emission generation, which was missing in previous models [Lopez-Puertas and Taylor, 2001, Lopez-Puertas et al, 2004], has finally been found. This is an important step towards developing the algorithm suitable for retrieving CO2 densities in the MLT from nighttime limb radiances obtained by SABER, which has been taking continuous measurements for the past 15 years.

  16. 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.

  17. Thermodynamic modelling of a recompression CO_2 power cycle for low temperature waste heat recovery

    International Nuclear Information System (INIS)

    Banik, Shubham; Ray, Satyaki; De, Sudipta

    2016-01-01

    Highlights: • Thermodynamic model for recompression T-CO_2 is developed. • Energetic and exergetic analysis compared with S-CO_2 and Reg. Brayton cycle. • Maximum efficiency of 13.6% is obtained for T-CO_2 cycle. • Optimum recompression ratio of 0.48 is obtained for minimum irreversibility. • Reg. Brayton has better efficiency, T-CO_2 offers minimum irreversibility. - Abstract: Due to the rising prices of conventional fossil fuels, increasing the overall thermal efficiency of a power plant is essential. One way of doing this is waste heat recovery. This recovery is most difficult for low temperature waste heat, below 240 °C, which also covers majority of the waste heat source. Carbon dioxide, with its low critical temperature and pressure, offers an advantage over ozone-depleting refrigerants used in Organic Rankine Cycles (ORCs) and hence is most suitable for the purpose. This paper introduces parametric optimization of a transcritical carbon dioxide (T-CO_2) power cycle which recompresses part of the total mass flow of working fluid before entering the precooler, thereby showing potential for higher cycle efficiency. Thermodynamic model for a recompression T-CO_2 power cycle has been developed with waste heat source of 2000 kW and at a temperature of 200 °C. Results obtained from this model are analysed to estimate effects on energetic and exergetic performances of the power cycle with varying pressure and mass recompression ratio. Higher pressure ratio always improves thermodynamic performance of the cycle – both energetic and exergetic. Higher recompression ratio also increases exergetic efficiency of the cycle. However, it increases energy efficiency, only if precooler inlet temperature remains constant. Maximum thermal efficiency of the T-CO_2 cycle with a recompression ratio of 0.26 has been found to be 13.6%. To minimize total irreversibility of the cycle, an optimum ratio of 0.48 was found to be suitable.

  18. An analysis of energy strategies for CO2 emission reduction in China. Case studies by MARKAL model

    International Nuclear Information System (INIS)

    Li Guangya

    1994-12-01

    The China's energy system has been analyzed by using the MARKAL model in this study and the time period is from the year 1990 to 2050. The MARKAL model is applied here to evaluate the cost effective energy strategies for CO 2 emission reduction in China. Firstly the Reference Energy System (RES) of China and its database were established, and the useful energy demand was projected on the basis of China's economic target and demographic forecasting. Four scenarios, BASE1-BASE4 were defined with different assumptions of crude oil and natural uranium availability. Analytical results show that without CO 2 emission constrains coal consumption will continue to hold a dominant position in primary energy supply, and CO 2 emissions in 2050 will be 9.55 BtCO 2 and 10.28 BtCO 2 with different natural uranium availability. Under the CO 2 emission constraints, nuclear and renewable energy will play important roles in CO 2 emission reduction, and feasible maximum CO 2 emission reduction estimated by this study is 3.16 BtCO 2 in 2050. The cumulative CO 2 emission from 1990 to 2050 will be 418.25 BtCO 2 and 429.16 BtCO 2 with different natural uranium availability. Total feasible maximum CO 2 emission reduction from 1990 to 2050 is 95.97 BtCO 2 . (author)

  19. Modelling the impact of EVs on electricity generation, costs and CO2 emissions

    International Nuclear Information System (INIS)

    Calnan, P.; Deane, J.P.; Ó Gallachóir, B.P.

    2013-01-01

    This paper focuses on the impact of electric vehicles on electricity generation in Ireland in 2025 based on five alternative generation portfolios. The year 2025 was selected for assessment due to the information on the composition of the five generation portfolios from Eirgrid the system operator in Ireland being provided. Detailed market simulations were undertaken on the five possible generation portfolios to assess the impact of the Government targets for electric vehicles on the generation costs, emissions, generation stack and the cost to load of this additional demand. This paper also studied the impact between a standard and least cost electric vehicle loading regime to ascertain the benefits that could be achieved. The results show that gas will be the dominant source of electricity generation to load electric vehicles and that wind as an electricity source will experience a minor reduction in curtailment, with the least cost charging profile showing a more pronounced reduction. The capital benefits of the Standard and Least Cost EV load are found to be negligible. The portfolios studied generated CO 2 emissions per kilometre between 52 and 70 gCO 2 /km. All portfolios with the exception of coal were found to comply with EU regulation 443/2009. - Highlights: • This paper focuses on the impact of electric vehicles on electricity generation in Ireland in 2025. • It uses the PLEXOS software package by Energy Exemplar to model the Irish electricity market. • Government targets for electric vehicle penetration have a limited impact on the power system. • Electric vehicles will meet EU requirements in terms of emissions created per kilometre

  20. Modeling carbon sequestration in afforestation, agroforestry and forest management projects: the CO2FIX V.2 approach

    NARCIS (Netherlands)

    Masera, O.R.; Garza-Caligaris, J.F.; Kanninen, M.; Karjalainen, T.; Liski, J.; Nabuurs, G.J.; Pussinen, A.; Jong de, B.H.J.; Mohren, G.M.J.

    2003-01-01

    The paper describes the Version 2 of the CO2FIX (CO2FIX V.2) model, a user-friendly tool for dynamically estimating the carbon sequestration potential of forest management, agroforesty and afforestation projects. CO2FIX V.2 is a multi-cohort ecosystem-level model based on carbon accounting of forest

  1. Taxing CO2 and subsidising biomass: Analysed in a macroeconomic and sectoral model

    DEFF Research Database (Denmark)

    Klinge Jacobsen, Henrik

    2000-01-01

    This paper analyses the combination of taxes and subsidies as an instrument to enable a reduction in CO2 emission. The objective of the study is to compare recycling of a CO2 tax revenue as a subsidy for biomass use as opposed to traditional recycling such as reduced income or corporate taxation....... A model of Denmark's energy supply sector is used to analyse the e€ect of a CO2 tax combined with using the tax revenue for biomass subsidies. The energy supply model is linked to a macroeconomic model such that the macroeconomic consequences of tax policies can be analysed along with the consequences...... for speci®c sectors such as agriculture. Electricity and heat are produced at heat and power plants utilising fuels which minimise total fuel cost, while the authorities regulate capacity expansion technologies. The e€ect of fuel taxes and subsidies on fuels is very sensitive to the fuel substitution...

  2. Application of a two-pool model to soil carbon dynamics under elevated CO2.

    Science.gov (United States)

    van Groenigen, Kees Jan; Xia, Jianyang; Osenberg, Craig W; Luo, Yiqi; Hungate, Bruce A

    2015-12-01

    Elevated atmospheric CO2 concentrations increase plant productivity and affect soil microbial communities, with possible consequences for the turnover rate of soil carbon (C) pools and feedbacks to the atmosphere. In a previous analysis (Van Groenigen et al., 2014), we used experimental data to inform a one-pool model and showed that elevated CO2 increases the decomposition rate of soil organic C, negating the storage potential of soil. However, a two-pool soil model can potentially explain patterns of soil C dynamics without invoking effects of CO2 on decomposition rates. To address this issue, we refit our data to a two-pool soil C model. We found that CO2 enrichment increases decomposition rates of both fast and slow C pools. In addition, elevated CO2 decreased the carbon use efficiency of soil microbes (CUE), thereby further reducing soil C storage. These findings are consistent with numerous empirical studies and corroborate the results from our previous analysis. To facilitate understanding of C dynamics, we suggest that empirical and theoretical studies incorporate multiple soil C pools with potentially variable decomposition rates. © 2015 John Wiley & Sons Ltd.

  3. Effect of recent observations on Asian CO2 flux estimates by transport model inversions

    International Nuclear Information System (INIS)

    Maksyutov, Shamil; Patra, Prabir K.; Machida, Toshinobu; Mukai, Hitoshi; Nakazawa, Takakiyo; Inoue, Gen

    2003-01-01

    We use an inverse model to evaluate the effects of the recent CO 2 observations over Asia on estimates of regional CO 2 sources and sinks. Global CO 2 flux distribution is evaluated using several atmospheric transport models, atmospheric CO 2 observations and a 'time-independent' inversion procedure adopted in the basic synthesis inversion by the Transcom-3 inverse model intercomparison project. In our analysis we include airborne and tower observations in Siberia, continuous monitoring and airborne observations over Japan, and airborne monitoring on regular flights on Tokyo-Sydney route. The inclusion of the new data reduces the uncertainty of the estimated regional CO 2 fluxes for Boreal Asia (Siberia), Temperate Asia and South-East Asia. The largest effect is observed for the emission/sink estimate for the Boreal Asia region, where introducing the observations in Siberia reduces the source uncertainty by almost half. It also produces an uncertainty reduction for Boreal North America. Addition of the Siberian airborne observations leads to projecting extra sinks in Boreal Asia of 0.2 Pg C/yr, and a smaller change for Europe. The Tokyo-Sydney observations reduce and constrain the Southeast Asian source

  4. Increased N2O emission by inhibited plant growth in the CO2 leaked soil environment: Simulation of CO2 leakage from carbon capture and storage (CCS) site.

    Science.gov (United States)

    Kim, You Jin; He, Wenmei; Ko, Daegeun; Chung, Haegeun; Yoo, Gayoung

    2017-12-31

    Atmospheric carbon dioxide (CO 2 ) concentrations is continuing to increase due to anthropogenic activity, and geological CO 2 storage via carbon capture and storage (CCS) technology can be an effective way to mitigate global warming due to CO 2 emission. However, the possibility of CO 2 leakage from reservoirs and pipelines exists, and such leakage could negatively affect organisms in the soil environment. Therefore, to determine the impacts of geological CO 2 leakage on plant and soil processes, we conducted a greenhouse study in which plants and soils were exposed to high levels of soil CO 2 . Cabbage, which has been reported to be vulnerable to high soil CO 2 , was grown under BI (no injection), NI (99.99% N 2 injection), and CI (99.99% CO 2 injection). Mean soil CO 2 concentration for CI was 66.8-76.9% and the mean O 2 concentrations in NI and CI were 6.6-12.7%, which could be observed in the CO 2 leaked soil from the pipelines connected to the CCS sites. The soil N 2 O emission was increased by 286% in the CI, where NO 3 - -N concentration was 160% higher compared to that in the control. This indicates that higher N 2 O emission from CO 2 leakage could be due to enhanced nitrification process. Higher NO 3 - -N content in soil was related to inhibited plant metabolism. In the CI treatment, chlorophyll content decreased and chlorosis appeared after 8th day of injection. Due to the inhibited root growth, leaf water and nitrogen contents were consistently lowered by 15% under CI treatment. Our results imply that N 2 O emission could be increased by the secondary effects of CO 2 leakage on plant metabolism. Hence, monitoring the environmental changes in rhizosphere would be very useful for impact assessment of CCS technology. Copyright © 2017 Elsevier B.V. All rights reserved.

  5. Stable isotope reactive transport modeling in water-rock interactions during CO2 injection

    Science.gov (United States)

    Hidalgo, Juan J.; Lagneau, Vincent; Agrinier, Pierre

    2010-05-01

    Stable isotopes can be of great usefulness in the characterization and monitoring of CO2 sequestration sites. Stable isotopes can be used to track the migration of the CO2 plume and identify leakage sources. Moreover, they provide unique information about the chemical reactions that take place on the CO2-water-rock system. However, there is a lack of appropriate tools that help modelers to incorporate stable isotope information into the flow and transport models used in CO2 sequestration problems. In this work, we present a numerical tool for modeling the transport of stable isotopes in groundwater reactive systems. The code is an extension of the groundwater single-phase flow and reactive transport code HYTEC [2]. HYTEC's transport module was modified to include element isotopes as separate species. This way, it is able to track isotope composition of the system by computing the mixing between the background water and the injected solution accounting for the dependency of diffusion on the isotope mass. The chemical module and database have been expanded to included isotopic exchange with minerals and the isotope fractionation associated with chemical reactions and mineral dissolution or precipitation. The performance of the code is illustrated through a series of column synthetic models. The code is also used to model the aqueous phase CO2 injection test carried out at the Lamont-Doherty Earth Observatory site (Palisades, New York, USA) [1]. References [1] N. Assayag, J. Matter, M. Ader, D. Goldberg, and P. Agrinier. Water-rock interactions during a CO2 injection field-test: Implications on host rock dissolution and alteration effects. Chemical Geology, 265(1-2):227-235, July 2009. [2] Jan van der Lee, Laurent De Windt, Vincent Lagneau, and Patrick Goblet. Module-oriented modeling of reactive transport with HYTEC. Computers & Geosciences, 29(3):265-275, April 2003.

  6. Preliminary Design and Model Assessment of a Supercritical CO2 Compressor

    Directory of Open Access Journals (Sweden)

    Zhiyuan Liu

    2018-04-01

    Full Text Available The compressor is a key component in the supercritical carbon dioxide (SCO2 Brayton cycle. In this paper, the authors designed a series of supercritical CO2 compressors with different parameters. These compressors are designed for 100 MWe, 10 MWe and 1 MWe scale power systems, respectively. For the 100 MWe SCO2 Brayton cycle, an axial compressor has been designed by the Smith chart to test whether an axial compressor is suitable for the SCO2 Brayton cycle. Using a specific speed and a specific diameter, the remaining two compressors were designed as centrifugal compressors with different pressure ratios to examine whether models used for air in the past are applicable to SCO2. All compressors were generated and analyzed with internal MATLAB programs coupled with the NIST REFPROP database. Finally, the design results are all checked by numerical simulations due to the lack of reliable experimental data. Research has found that in order to meet the de Haller stall criterion, axial compressors require a considerable number of stages, which introduces many additional problems. Thus, a centrifugal compressor is more suitable for the SCO2 Brayton cycle, even for a 100 MWe scale system. For the performance prediction model of a centrifugal compressor, the stall predictions are compared with steady numerical calculation, which indicates that past stall criteria may also be suitable for SCO2 compressors, but more validations are needed. However, the accuracy of original loss models is found to be inadequate, particularly for lower flow and higher pressure ratio cases. Deviations may be attributed to the underestimation of clearance loss according to the result of steady simulation. A modified model is adopted which can improve the precision to a certain extent, but more general and reasonable loss models are needed to improve design accuracy in the future.

  7. Water-use responses of ‘living fossil’ conifers to CO2 enrichment in a simulated Cretaceous polar environment

    Science.gov (United States)

    Llorens, Laura; Osborne, Colin P.; Beerling, David J.

    2009-01-01

    Background and Aims During the Mesozoic, the polar regions supported coniferous forests that experienced warm climates, a CO2-rich atmosphere and extreme seasonal variations in daylight. How the interaction between the last two factors might have influenced water use of these conifers was investigated. An experimental approach was used to test the following hypotheses: (1) the expected beneficial effects of elevated [CO2] on water-use efficiency (WUE) are reduced or lost during the 24-h light of the high-latitude summer; and (2) elevated [CO2] reduces plant water use over the growing season. Methods Measurements of leaf and whole-plant gas exchange, and leaf-stable carbon isotope composition were made on one evergreen (Sequoia sempervirens) and two deciduous (Metasequoia glyptostroboides and Taxodium distichum) ‘living fossil’ coniferous species after 3 years' growth in controlled-environment simulated Cretaceous Arctic (69°N) conditions at either ambient (400 µmol mol−1) or elevated (800 µmol mol−1) [CO2]. Key Results Stimulation of whole-plant WUE (WUEP) by CO2 enrichment was maintained over the growing season for the three studied species but this pattern was not reflected in patterns of WUE inferred from leaf-scale gas exchange measurements (iWUEL) and δ13C of foliage (tWUEL). This response was driven largely by increased rates of carbon uptake, because there was no overall CO2 effect on daily whole-plant transpiration or whole-plant water loss integrated over the study period. Seasonal patterns of tWUEL differed from those measured for iWUEL. The results suggest caution against over simplistic interpretations of WUEP based on leaf isotopic composition. Conclusions The data suggest that the efficiency of whole-tree water use may be improved by CO2 enrichment in a simulated high-latitude environment, but that transpiration is relatively insensitive to atmospheric CO2 in the living fossil species investigated. PMID:19447810

  8. Water-use responses of 'living fossil' conifers to CO2 enrichment in a simulated Cretaceous polar environment.

    Science.gov (United States)

    Llorens, Laura; Osborne, Colin P; Beerling, David J

    2009-07-01

    During the Mesozoic, the polar regions supported coniferous forests that experienced warm climates, a CO(2)-rich atmosphere and extreme seasonal variations in daylight. How the interaction between the last two factors might have influenced water use of these conifers was investigated. An experimental approach was used to test the following hypotheses: (1) the expected beneficial effects of elevated [CO(2)] on water-use efficiency (WUE) are reduced or lost during the 24-h light of the high-latitude summer; and (2) elevated [CO(2)] reduces plant water use over the growing season. Measurements of leaf and whole-plant gas exchange, and leaf-stable carbon isotope composition were made on one evergreen (Sequoia sempervirens) and two deciduous (Metasequoia glyptostroboides and Taxodium distichum) 'living fossil' coniferous species after 3 years' growth in controlled-environment simulated Cretaceous Arctic (69 degrees N) conditions at either ambient (400 micromol mol(-1)) or elevated (800 micromol mol(-1)) [CO(2)]. Stimulation of whole-plant WUE (WUE(P)) by CO(2) enrichment was maintained over the growing season for the three studied species but this pattern was not reflected in patterns of WUE inferred from leaf-scale gas exchange measurements (iWUE(L)) and delta(13)C of foliage (tWUE(L)). This response was driven largely by increased rates of carbon uptake, because there was no overall CO(2) effect on daily whole-plant transpiration or whole-plant water loss integrated over the study period. Seasonal patterns of tWUE(L) differed from those measured for iWUE(L). The results suggest caution against over simplistic interpretations of WUE(P) based on leaf isotopic composition. The data suggest that the efficiency of whole-tree water use may be improved by CO(2) enrichment in a simulated high-latitude environment, but that transpiration is relatively insensitive to atmospheric CO(2) in the living fossil species investigated.

  9. Phase equilibrium modeling of gas hydrate systems for CO2 capture

    DEFF Research Database (Denmark)

    Herslund, Peter Jørgensen; Thomsen, Kaj; Abildskov, Jens

    2012-01-01

    to form from vapor phases with initial mole fractions of CO2 at or above 0.15.The two models are validated against mixed hydrate equilibrium data found in literature. Both dissociation pressures and hydrate compositions are considered in the validation process.With the fitted parameters, Model I predicts...

  10. Experimental and modeling study on effects of N2 and CO2 on ignition characteristics of methane/air mixture

    Directory of Open Access Journals (Sweden)

    Wen Zeng

    2015-03-01

    Full Text Available The ignition delay times of methane/air mixture diluted by N2 and CO2 were experimentally measured in a chemical shock tube. The experiments were performed over the temperature range of 1300–2100 K, pressure range of 0.1–1.0 MPa, equivalence ratio range of 0.5–2.0 and for the dilution coefficients of 0%, 20% and 50%. The results suggest that a linear relationship exists between the reciprocal of temperature and the logarithm of the ignition delay times. Meanwhile, with ignition temperature and pressure increasing, the measured ignition delay times of methane/air mixture are decreasing. Furthermore, an increase in the dilution coefficient of N2 or CO2 results in increasing ignition delays and the inhibition effect of CO2 on methane/air mixture ignition is stronger than that of N2. Simulated ignition delays of methane/air mixture using three kinetic models were compared to the experimental data. Results show that GRI_3.0 mechanism gives the best prediction on ignition delays of methane/air mixture and it was selected to identify the effects of N2 and CO2 on ignition delays and the key elementary reactions in the ignition chemistry of methane/air mixture. Comparisons of the calculated ignition delays with the experimental data of methane/air mixture diluted by N2 and CO2 show excellent agreement, and sensitivity coefficients of chain branching reactions which promote mixture ignition decrease with increasing dilution coefficient of N2 or CO2.

  11. Modeling light use efficiency in a subtropical mangrove forest equipped with CO2 eddy covariance

    Directory of Open Access Journals (Sweden)

    J. G. Barr

    2013-03-01

    Full Text Available Despite the importance of mangrove ecosystems in the global carbon budget, the relationships between environmental drivers and carbon dynamics in these forests remain poorly understood. This limited understanding is partly a result of the challenges associated with in situ flux studies. Tower-based CO2 eddy covariance (EC systems are installed in only a few mangrove forests worldwide, and the longest EC record from the Florida Everglades contains less than 9 years of observations. A primary goal of the present study was to develop a methodology to estimate canopy-scale photosynthetic light use efficiency in this forest. These tower-based observations represent a basis for associating CO2 fluxes with canopy light use properties, and thus provide the means for utilizing satellite-based reflectance data for larger scale investigations. We present a model for mangrove canopy light use efficiency utilizing the enhanced green vegetation index (EVI derived from the Moderate Resolution Imaging Spectroradiometer (MODIS that is capable of predicting changes in mangrove forest CO2 fluxes caused by a hurricane disturbance and changes in regional environmental conditions, including temperature and salinity. Model parameters are solved for in a Bayesian framework. The model structure requires estimates of ecosystem respiration (RE, and we present the first ever tower-based estimates of mangrove forest RE derived from nighttime CO2 fluxes. Our investigation is also the first to show the effects of salinity on mangrove forest CO2 uptake, which declines 5% per each 10 parts per thousand (ppt increase in salinity. Light use efficiency in this forest declines with increasing daily photosynthetic active radiation, which is an important departure from the assumption of constant light use efficiency typically applied in satellite-driven models. The model developed here provides a framework for estimating CO2 uptake by these forests from reflectance data and

  12. Optimized CO2-flue gas separation model for a coal fired power plant

    Energy Technology Data Exchange (ETDEWEB)

    Arachchige, Udara S.P.R. [Telemark University College, Porsgrunn (Norway); Mohsin, Muhammad [Telemark University College, Porsgrunn (Norway); Melaaen, Morten C. [Telemark University College, Porsgrunn (Norway); Tel-Tek, Porsgrunn (Norway)

    2013-07-01

    The detailed description of the CO2 removal process using mono-ethylamine (MEA) as a solvent for coal-fired power plant is present in this paper. The rate based Electrolyte NRTL activity coefficient model was used in the Aspen Plus. The complete removal process with re-circulating solvent back to the absorber was implemented with the sequential modular method in Aspen Plus. The most significant cost related to CO2 capture is the energy requirement for re-generating solvent, i.e. re-boiler duty. Parameters’ effects on re-boiler duty were studied, resulting decreased re-boiler duty with the packing height and absorber packing diameter, absorber pressure, solvent temperature, stripper packing height and diameter. On the other hand, with the flue gas temperature, re-boiler duty is increased. The temperature profiles and CO2 loading profiles were used to check the model behavior.

  13. A general equilibrium model for Denmark and estimated impacts of the CO2 tax

    International Nuclear Information System (INIS)

    Elkjaer Frandsen, S.; Vognsen Hansen, J.; Trier, P.

    1996-01-01

    This article reviews the Danish CGE-model GESMEC and its application to quantifying the macroeconomic impacts of a CO 2 tax. Calculations based on the model indicate that a reduction of Danish CO 2 emissions by 2005 by 25 per cent compared with a baseline by means of a uniform economy-wide CO 2 tax can be achieved at a loss of private consumption of only 0.3 per cent. This result is obtained using standard neo-classical closure, assuming that all markets including the labour market are cleared by fully flexible relative prices. The calculated costs increase considerably if the assumptions of full long-term flexibility are relaxed. (au) 15 refs

  14. Modeling the Losses of Dissolved CO(2) from Laser-Etched Champagne Glasses.

    Science.gov (United States)

    Liger-Belair, Gérard

    2016-04-21

    Under standard champagne tasting conditions, the complex interplay between the level of dissolved CO2 found in champagne, its temperature, the glass shape, and the bubbling rate definitely impacts champagne tasting by modifying the neuro-physicochemical mechanisms responsible for aroma release and flavor perception. On the basis of theoretical principles combining heterogeneous bubble nucleation, ascending bubble dynamics, and mass transfer equations, a global model is proposed, depending on various parameters of both the wine and the glass itself, which quantitatively provides the progressive losses of dissolved CO2 from laser-etched champagne glasses. The question of champagne temperature was closely examined, and its role on the modeled losses of dissolved CO2 was corroborated by a set of experimental data.

  15. 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.

  16. 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.

  17. Comparing atmospheric transport models for future regional inversions over Europe - Part 1: mapping the atmospheric CO2 signals

    International Nuclear Information System (INIS)

    Geels, C.; Brandt, J.; Christensen, J.H.; Frohn, L.M.; Gloor, M.; Ciais, P.; Bousquet, P.; Peylin, P.; Dargaville, R.; Ramonet, M.; Vermeulen, A.T.; Aalto, T.; Haszpra, L.; Karstens, U.; Rodenbeck, C.; Carboni, G.; Santaguida, R.

    2007-01-01

    The CO 2 source and sink distribution across Europe can be estimated in principle through inverse methods by combining CO 2 observations and atmospheric transport models. Uncertainties of such estimates are mainly due to insufficient spatio-temporal coverage of CO 2 observations and biases of the models. In order to assess the biases related to the use of different models the CO 2 concentration field over Europe has been simulated with five different Eulerian atmospheric transport models as part of the EU-funded AEROCARB project, which has the main goal to estimate the carbon balance of Europe. In contrast to previous comparisons, here both global coarse-resolution and regional higher-resolution models are included. Continuous CO 2 observations from continental, coastal and mountain sites as well as flasks sampled on aircraft are used to evaluate the models ability to capture the spatio-temporal variability and distribution of lower troposphere CO 2 across Europe. 14 CO 2 is used in addition to evaluate separately fossil fuel signal predictions. The simulated concentrations show a large range of variation, with up to similar to 10 ppm higher surface concentrations over Western and Central Europe in the regional models with highest (mesoscale) spatial resolution. The simulation-data comparison reveals that generally high-resolution models are more successful than coarse models in capturing the amplitude and phasing of the observed short-term variability. At high-altitude stations the magnitude of the differences between observations and models and in between models is less pronounced, but the timing of the diurnal cycle is not well captured by the models. The data comparisons show also that the timing of the observed variability on hourly to daily time scales at low-altitude stations is generally well captured by all models. However, the amplitude of the variability tends to be underestimated. While daytime values are quite well predicted, nighttime values are

  18. Comparing atmospheric transport models for future regional inversions over Europe ─ Part 1: mapping the atmospheric CO2 signals

    Directory of Open Access Journals (Sweden)

    M. Ramonet

    2007-07-01

    Full Text Available The CO2 source and sink distribution across Europe can be estimated in principle through inverse methods by combining CO2 observations and atmospheric transport models. Uncertainties of such estimates are mainly due to insufficient spatiotemporal coverage of CO2 observations and biases of the models. In order to assess the biases related to the use of different models the CO2 concentration field over Europe has been simulated with five different Eulerian atmospheric transport models as part of the EU-funded AEROCARB project, which has the main goal to estimate the carbon balance of Europe. In contrast to previous comparisons, here both global coarse-resolution and regional higher-resolution models are included. Continuous CO2 observations from continental, coastal and mountain sites as well as flasks sampled on aircrafts are used to evaluate the models' ability to capture the spatiotemporal variability and distribution of lower troposphere CO2 across Europe. 14CO2 is used in addition to evaluate separately fossil fuel signal predictions. The simulated concentrations show a large range of variation, with up to ~10 ppm higher surface concentrations over Western and Central Europe in the regional models with highest (mesoscale spatial resolution. The simulation – data comparison reveals that generally high-resolution models are more successful than coarse models in capturing the amplitude and phasing of the observed short-term variability. At high-altitude stations the magnitude of the differences between observations and models and in between models is less pronounced, but the timing of the diurnal cycle is not well captured by the models. The data comparisons show also that the timing of the observed variability on hourly to daily time scales at low-altitude stations is generally well captured by all models. However, the amplitude of the variability tends to be underestimated. While daytime values are quite well predicted, nighttime values are

  19. Experimental and Numerical Modelling of CO2 Atmospheric Dispersion in Hazardous Gas Emission Sites.

    Science.gov (United States)

    Gasparini, A.; sainz Gracia, A. S.; Grandia, F.; Bruno, J.

    2015-12-01

    Under stable atmospheric conditions and/or in presence of topographic depressions, CO2 concentrations can reach high values resulting in lethal effect to living organisms. The distribution of denser than air gases released from the underground is governed by gravity, turbulence and dispersion. Once emitted, the gas distribution is initially driven by buoyancy and a gas cloud accumulates on the ground (gravitational phase); with time the density gradient becomes less important due to dispersion or mixing and gas distribution is mainly governed by wind and atmospheric turbulence (passive dispersion phase). Natural analogues provide evidences of the impact of CO2 leakage. Dangerous CO2 concentration in atmosphere related to underground emission have been occasionally reported although the conditions favouring the persistence of such a concentration are barely studied.In this work, the dynamics of CO2 in the atmosphere after ground emission is assessed to quantify their potential risk. Two approaches have been followed: (1) direct measurement of air concentration in a natural emission site, where formation of a "CO2 lake" is common and (2) numerical atmospheric modelling. Two sites with different morphology were studied: (a) the Cañada Real site, a flat terrain in the Volcanic Field of Campo de Calatrava (Spain); (b) the Solforata di Pomezia site, a rough terrain in the Alban Hills Volcanic Region (Italy). The comparison between field data and model calculations reveal that numerical dispersion models are capable of predicting the formation of CO2 accumulation over the ground as a consequence of underground gas emission. Therefore, atmospheric modelling could be included as a valuable methodology in the risk assessment of leakage in natural degassing systems and in CCS projects. Conclusions from this work provide clues on whether leakage may be a real risk for humans and under which conditions this risk needs to be included in the risk assessment.

  20. Velocity Model for CO2 Sequestration in the Southeastern United States Atlantic Continental Margin

    Science.gov (United States)

    Ollmann, J.; Knapp, C. C.; Almutairi, K.; Almayahi, D.; Knapp, J. H.

    2017-12-01

    The sequestration of carbon dioxide (CO2) is emerging as a major player in offsetting anthropogenic greenhouse gas emissions. With 40% of the United States' anthropogenic CO2 emissions originating in the southeast, characterizing potential CO2 sequestration sites is vital to reducing the United States' emissions. The goal of this research project, funded by the Department of Energy (DOE), is to estimate the CO2 storage potential for the Southeastern United States Atlantic Continental Margin. Previous studies find storage potential in the Atlantic continental margin. Up to 16 Gt and 175 Gt of storage potential are estimated for the Upper Cretaceous and Lower Cretaceous formations, respectively. Considering 2.12 Mt of CO2 are emitted per year by the United States, substantial storage potential is present in the Southeastern United States Atlantic Continental Margin. In order to produce a time-depth relationship, a velocity model must be constructed. This velocity model is created using previously collected seismic reflection, refraction, and well data in the study area. Seismic reflection horizons were extrapolated using well log data from the COST GE-1 well. An interpolated seismic section was created using these seismic horizons. A velocity model will be made using P-wave velocities from seismic reflection data. Once the time-depth conversion is complete, the depths of stratigraphic units in the seismic refraction data will be compared to the newly assigned depths of the seismic horizons. With a lack of well control in the study area, the addition of stratigraphic unit depths from 171 seismic refraction recording stations provides adequate data to tie to the depths of picked seismic horizons. Using this velocity model, the seismic reflection data can be presented in depth in order to estimate the thickness and storage potential of CO2 reservoirs in the Southeastern United States Atlantic Continental Margin.

  1. Variability and budget of CO2 in Europe: analysis of the CAATER airborne campaigns – Part 2: Comparison of CO2 vertical variability and fluxes between observations and a modeling framework

    Directory of Open Access Journals (Sweden)

    P. Ciais

    2011-06-01

    Full Text Available Our ability to predict future climate change relies on our understanding of current and future CO2 fluxes, particularly on a regional scale (100–1000 km. CO2 regional sources and sinks are still poorly understood. Inverse transport modeling, a method often used to quantify these fluxes, relies on atmospheric CO2 measurements. One of the main challenges for the transport models used in the inversions is to properly reproduce CO2 vertical gradients between the boundary layer and the free troposphere, as these gradients impact on the partitioning of the calculated fluxes between the different model regions. Vertical CO2 profiles are very well suited to assess the performances of the models. In this paper, we conduct a comparison between observed and modeled CO2 profiles recorded during two CAATER campaigns that occurred in May 2001 and October 2002 over Western Europe, as described in a companion paper. We test different combinations between a global transport model (LMDZt, a mesoscale transport model (CHIMERE, and different sets of biospheric fluxes, all chosen with a diurnal cycle (CASA, SiB2 and ORCHIDEE. The vertical profile comparison shows that: 1 in most cases the influence of the biospheric flux is small but sometimes not negligible, ORCHIDEE giving the best results in the present study; 2 LMDZt is most of the time too diffuse, as it simulates a too high boundary layer height; 3 CHIMERE better reproduces the observed gradients between the boundary layer and the free troposphere, but is sometimes too variable and gives rise to incoherent structures. We conclude there is a need for more vertical profiles to conduct further studies to improve the parameterization of vertical transport in the models used for CO2 flux inversions. Furthermore, we use a modeling method to quantify CO2 fluxes at the regional scale from a chosen observing point, coupling influence functions from the transport model LMDZt (that works quite well at the synoptic

  2. Variability and budget of CO2 in Europe: analysis of the CAATER airborne campaigns - Part 2: Comparison of CO2 vertical variability and fluxes between observations and a modeling framework

    International Nuclear Information System (INIS)

    Xueref-Remy, I.; Bousquet, P.; Rivier, L.; Ciais, P.; Carouge, C.

    2011-01-01

    Our ability to predict future climate change relies on our understanding of current and future CO 2 fluxes, particularly on a regional scale (100-1000 km). CO 2 regional sources and sinks are still poorly understood. Inverse transport modeling, a method often used to quantify these fluxes, relies on atmospheric CO 2 measurements. One of the main challenges for the transport models used in the inversions is to properly reproduce CO 2 vertical gradients between the boundary layer and the free troposphere, as these gradients impact on the partitioning of the calculated fluxes between the different model regions. Vertical CO 2 profiles are very well suited to assess the performances of the models. In this paper, we conduct a comparison between observed and modeled CO 2 profiles recorded during two CAATER campaigns that occurred in May 2001 and October 2002 over Western Europe, as described in a companion paper. We test different combinations between a global transport model (LMDZt), a mesoscale transport model (CHIMERE), and different sets of biospheric fluxes, all chosen with a diurnal cycle (CASA, SiB2 and ORCHIDEE). The vertical profile comparison shows that: 1) in most cases the influence of the biospheric flux is small but sometimes not negligible, ORCHIDEE giving the best results in the present study; 2) LMDZt is most of the time too diffuse, as it simulates a too high boundary layer height; 3) CHIMERE better reproduces the observed gradients between the boundary layer and the free troposphere, but is sometimes too variable and gives rise to incoherent structures. We conclude there is a need for more vertical profiles to conduct further studies to improve the parameterization of vertical transport in the models used for CO 2 flux inversions. Furthermore, we use a modeling method to quantify CO 2 fluxes at the regional scale from a chosen observing point, coupling influence functions from the transport model LMDZt (that works quite well at the synoptic scale) with

  3. Dry (CO_2) reforming of methane over Pt catalysts studied by DFT and kinetic modeling

    International Nuclear Information System (INIS)

    Niu, Juntian; Du, Xuesen; Ran, Jingyu; Wang, Ruirui

    2016-01-01

    Graphical abstract: - Highlights: • CH appears to be the most abundant species on Pt(1 1 1) surface in CH_4 dissociation. • CO_2* + H* → COOH* + * → CO* + OH* is the dominant reaction pathway in CO_2 activation. • Major reaction pathway in CH oxidation: CH* + OH* → CHOH* + * → CHO* + H* → CO* + 2H*. • C* + OH* → COH* + * → CO* + H* is the dominant reaction pathway in C oxidation. - Abstract: Dry reforming of methane (DRM) is a well-studied reaction that is of both scientific and industrial importance. In order to design catalysts that minimize the deactivation and improve the selectivity and activity for a high H_2/CO yield, it is necessary to understand the elementary reaction steps involved in activation and conversion of CO_2 and CH_4. In our present work, a microkinetic model based on density functional theory (DFT) calculations is applied to explore the reaction mechanism for methane dry reforming on Pt catalysts. The adsorption energies of the reactants, intermediates and products, and the activation barriers for the elementary reactions involved in the DRM process are calculated over the Pt(1 1 1) surface. In the process of CH_4 direct dissociation, the kinetic results show that CH dissociative adsorption on Pt(1 1 1) surface is the rate-determining step. CH appears to be the most abundant species on the Pt(1 1 1) surface, suggesting that carbon deposition is not easy to form in CH_4 dehydrogenation on Pt(1 1 1) surface. In the process of CO_2 activation, three possible reaction pathways are considered to contribute to the CO_2 decomposition: (I) CO_2* + * → CO* + O*; (II) CO_2* + H* → COOH* + * → CO* + OH*; (III) CO_2* + H* → mono-HCOO* + * → bi-HCOO* + * [CO_2* + H* → bi-HCOO* + *] → CHO* + O*. Path I requires process to overcome the activation barrier of 1.809 eV and the forward reaction is calculated to be strongly endothermic by 1.430 eV. In addition, the kinetic results also indicate this process is not easy to

  4. Modelling the effects of ice-sheet activity on CO2 outgassing by Icelandic volcanoes

    Science.gov (United States)

    Armitage, J. J.; Ferguson, D.; Petersen, K. D.; Creyts, T. T.

    2017-12-01

    Glacial cycles may play a significant role in mediating the flux of magmatic CO2 between the Earth's mantle and atmosphere. In Iceland, it is thought that late-Pleistocene deglaciation led to a significant volcanic pulse, evidenced by increased post-glacial lava volumes and changes in melt chemistry consistent with depressurization. Investigating the extent to which glacial activity may have affected volcanic CO2 emissions from Iceland, and crucially over what timescale, requires detailed knowledge of how the magma system responded to the growth and collapse of the ice-sheet before and after the LGM. To investigate this, we coupled a model of magma generation and transport with a history of ice-sheet activity. Our results show that the emplacement and removal of the LGM ice-sheet likely led to two significant pulses of magmatic CO2. The first, and most significant of these, is associated with ice-sheet growth and occurs as the magma system recovers from glacial loading. This recovery happens from the base of the melting region upwards, producing a pulse of CO2 rich magma that is predicted to reach the surface around 20 ka after the loading event, close in time to the LGM. The second peak in CO2 output occurs abruptly following deglaciation as a consequence of increased rates of melt generation and transport in the shallow mantle. Although these post-glacial melts are relatively depleted in CO2, the increase in magma flux leads to a short-lived period of elevated CO2 emissions. Our results therefore suggest a negative feedback, whereby ice-sheet growth produces a delayed pulse of magmatic CO2, which, in addition to increased geothermal heat flux, may contribute towards driving deglaciation, which itself then causes further magmatism and CO2 outgassing. This model is consistent with the seismic structure of the asthenosphere below Iceland, and the established compositional and volumetric trends for sub- and post-glacial volcanism in Iceland. These trends show that

  5. Utility of silicone filtering for diffusive model CO2 sensors in field experiments

    Directory of Open Access Journals (Sweden)

    Shinjiro Ohkubo

    2013-05-01

    Full Text Available Installing a diffusive model CO2 sensor in the soil is a direct and useful method to observe the time variation of gas CO2 concentration in soil. Furthermore, it requires no bulky measurement system. A hydrophobic silicone filter prevents water infiltration. Therefore, a sensor whose detection element is covered with a silicone filter can be durable in the field even when experiencing inundation (e.g. farmland with snow melting, wetland with varying water level. The utility of a diffusive model of CO2 sensor covered with silicone filter was examined in laboratory and field experiments. Applying the silicone filter delays the response to change in ambient CO2 concentration, which results from lower gas permeability than those of other conventionally used filters made of materials, such as polytetrafluoroethylene. Theoretically, apart from the precision of the sensor itself, diurnal variation of soil gas CO2 concentration is calculable from obtained series of data with a silicone-covered sensor with negligible error. The error is estimated at approximately 1% of the diurnal amplitude in most cases of a 10-min logging interval. Drastic changes that occur, such as those of a rainfall event, cause a larger gap separating calculated and real values. However, the proportion of this gap to the extent of the drastic increase was extremely small (0.43% for a 10-min logging interval. For accurate estimation, a smoothly varied data series must be prepared as input data. Using a moving average or applying a fitting curve can be useful when using a sensor or data logger with low resolution. Estimating the gas permeability coefficient is crucial for calculation. The gas permeability coefficient can be estimated through laboratory experiments. This study revealed the possibility of evaluating the time variation of soil gas CO2 concentration by installing a diffusive model of silicone-covered sensor in an inundated field.

  6. Evaluation of Thermodynamic Models for Predicting Phase Equilibria of CO2 + Impurity Binary Mixture

    Science.gov (United States)

    Shin, Byeong Soo; Rho, Won Gu; You, Seong-Sik; Kang, Jeong Won; Lee, Chul Soo

    2018-03-01

    For the design and operation of CO2 capture and storage (CCS) processes, equation of state (EoS) models are used for phase equilibrium calculations. Reliability of an EoS model plays a crucial role, and many variations of EoS models have been reported and continue to be published. The prediction of phase equilibria for CO2 mixtures containing SO2, N2, NO, H2, O2, CH4, H2S, Ar, and H2O is important for CO2 transportation because the captured gas normally contains small amounts of impurities even though it is purified in advance. For the design of pipelines in deep sea or arctic conditions, flow assurance and safety are considered priority issues, and highly reliable calculations are required. In this work, predictive Soave-Redlich-Kwong, cubic plus association, Groupe Européen de Recherches Gazières (GERG-2008), perturbed-chain statistical associating fluid theory, and non-random lattice fluids hydrogen bond EoS models were compared regarding performance in calculating phase equilibria of CO2-impurity binary mixtures and with the collected literature data. No single EoS could cover the entire range of systems considered in this study. Weaknesses and strong points of each EoS model were analyzed, and recommendations are given as guidelines for safe design and operation of CCS processes.

  7. Dynamic simulation and optimization of an industrial-scale absorption tower for CO2 capturing from ethane gas

    Directory of Open Access Journals (Sweden)

    Babak Pouladi

    2016-11-01

    Full Text Available This article considers a process technology based on absorption for CO2 capturing of ethane gas in phase 9 and 10 of south pars in Iran using diethanolamine (DEA as absorbent solvent. This CO2 capture plant was designed to achieve 85% CO2 recovery and obtain 19 ppm the CO2 concentration in the outlet of absorber. ASPEN–HYSYS software was used for the dynamic simulation of a commercial-scale CO2 capture plant and amine Pkg equation was chosen from the fluid property package for calculating the thermodynamic properties of the process. A static approach for optimization was used to evaluate the optimum conditions. This research revealed that pressure variation does not have any considerable changes in the absorption process, while both amine inlet temperature and volumetric flow rate increment enhance the absorption tower efficiency. The effect of temperature was very significant as shown in the dynamic study plots. The optimum condition for CO2 absorption from a stream of ethane gas with molar flow rate of 2118 kg mol h−1 was obtained 75 m3  h−1 of amine at 53 °C and 24 bar. This optimized condition is acceptable from economical, safe as well as feasible point of view.

  8. The numerical simulation on swelling factor and extraction rate of a tight crude oil and SC-CO2 system

    Science.gov (United States)

    Zou, Hongjun; Gong, Houjian; Li, Yajun; Dong, Mingzhe

    2018-03-01

    A method was established to study swelling and extraction between CO2 and crude oil, and the influences of pressure, temperature and molecular weight were investigated. Firstly, laboratory analysis was conducted to determine the pseudo-component and other parameters of the crude oil. Then swelling and extraction of the crude oil and SC-CO2 system were calculated by computer simulation. The results show that the pressure and temperature have little influence on the swelling and extraction between CO2 and crude oil when the mole fraction of CO2 is lower. A higher pressure and temperature is more beneficial to the interaction of CO2 and crude oil, while the swelling and extraction will not be obvious when the system is miscible. And the smaller the molecular weight of the oil is, the larger the maximum value of the swelling factor of CO2 and crude oil changes. The study of swelling and extraction plays an important role in the oilfield stimulation.

  9. 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.

  10. Modeling the impacts of temperature and precipitation changes on soil CO2 fluxes from a Switchgrass stand recently converted from cropland.

    Science.gov (United States)

    Lai, Liming; Kumar, Sandeep; Chintala, Rajesh; Owens, Vance N; Clay, David; Schumacher, Joseph; Nizami, Abdul-Sattar; Lee, Sang Soo; Rafique, Rashad

    2016-05-01

    Switchgrass (Panicum virgatum L.) is a perennial C4 grass native to North America and successfully adapted to diverse environmental conditions. It offers the potential to reduce soil surface carbon dioxide (CO2) fluxes and mitigate climate change. However, information on how these CO2 fluxes respond to changing climate is still lacking. In this study, CO2 fluxes were monitored continuously from 2011 through 2014 using high frequency measurements from Switchgrass land seeded in 2008 on an experimental site that has been previously used for soybean (Glycine max L.) in South Dakota, USA. DAYCENT, a process-based model, was used to simulate CO2 fluxes. An improved methodology CPTE [Combining Parameter estimation (PEST) with "Trial and Error" method] was used to calibrate DAYCENT. The calibrated DAYCENT model was used for simulating future CO2 emissions based on different climate change scenarios. This study showed that: (i) the measured soil CO2 fluxes from Switchgrass land were higher for 2012 which was a drought year, and these fluxes when simulated using DAYCENT for long-term (2015-2070) provided a pattern of polynomial curve; (ii) the simulated CO2 fluxes provided different patterns with temperature and precipitation changes in a long-term, (iii) the future CO2 fluxes from Switchgrass land under different changing climate scenarios were not significantly different, therefore, it can be concluded that Switchgrass grown for longer durations could reduce changes in CO2 fluxes from soil as a result of temperature and precipitation changes to some extent. Copyright © 2015. Published by Elsevier B.V.

  11. A Polarizable and Transferable PHAST CO 2 Potential for Materials Simulation

    KAUST Repository

    Mullen, Ashley L.; Pham, Tony; Forrest, Katherine A.; Cioce, Christian R.; McLaughlin, Keith; Space, Brian

    2013-01-01

    Reliable PHAST (Potentials with High Accuracy Speed and Transferability) intermolecular potential energy functions for CO2 have been developed from first principles for use in heterogeneous systems, including one with explicit polarization

  12. Experimental validation of a rate-based model for CO2 capture using an AMP solution

    DEFF Research Database (Denmark)

    Gabrielsen, Jostein; Svendsen, H. F.; Michelsen, Michael Locht

    2007-01-01

    Detailed experimental data, including temperature profiles over the absorber, for a carbon dioxide (CO"2) absorber with structured packing in an integrated laboratory pilot plant using an aqueous 2-amino-2-methyl-1-propanol (AMP) solution are presented. The experimental gas-liquid material balance...... was within an average of 3.5% for the experimental conditions presented. A predictive rate-based steady-state model for CO"2 absorption into an AMP solution, using an implicit expression for the enhancement factor, has been validated against the presented pilot plant data. Furthermore, a parameter...

  13. Computational fluid dynamics (CFD) simulation of CO2 emission from a thermal power plant in an urban environment.

    Science.gov (United States)

    Toja-Silva, Francisco; Chen, Jia; Hachinger, Stephan

    2017-04-01

    Climate change, a societal challenge for the European Union, is affecting all regions in Europe and has a profound impact on society and environment. It is now clear that the present global warming period is due to the strong anthropogenic greenhouse gas (GHG) emission, occurring at an unprecedented rate. Therefore, the identification and control of the greenhouse gas sources has a great relevance. Since the GHG emissions from cities are the largest human contribution to climate change, the present investigation focuses on the urban environment. Bottom-up annual emission inventories are compiled for most countries. However, a rigorous approach requires to perform experimental measurements in order to verify the official estimates. Measurements of column-averaged dry-air mole fractions of GHG (XGHG) can be used for this. To comprehensively detect and quantify GHG emission sources, these punctual column data, however, have to be extended to the surrounding urban map, requiring a deep understanding of the gas transport. The resulting emission estimation will serve several practical purposes, e.g. the verification of official emission rates and the determination of trends in urban emissions. They will enable the administration to make targeted and economically efficient decisions about mitigation options, and help to stop unintentional and furtive releases. With this aim, this investigation presents a completely new approach to the analysis of the carbon dioxide (CO2) emissions from fossil fuel thermal power plants in urban environments by combining differential column measurements with computational fluid dynamics (CFD) simulations in order to deeply understand the experimental conditions. The case study is a natural gas-fueled cogeneration (combined heat and power, CHP) thermal power plant inside the city of Munich (Germany). The software used for the simulations (OpenFOAM) was modified in order to use the most advanced RANS turbulence modeling (i.e. Durbin) and

  14. Inferring CO2 Fluxes from OCO-2 for Assimilation into Land Surface Models to Calculate Net Ecosystem Exchange

    Science.gov (United States)

    Prouty, R.; Radov, A.; Halem, M.; Nearing, G. S.

    2016-12-01

    Investigations of mid to high latitude atmospheric CO2 show a growing seasonal amplitude. Land surface models poorly predict net ecosystem exchange (NEE) and are unable to substantiate these sporadic observations. An investigation of how the biosphere has reacted to changes in atmospheric CO2 is essential to our understanding of potential climate-vegetation feedbacks. A global, seasonal investigation of CO2-flux is then necessary in order to assimilate into land surface models for improving the prediction of annual NEE. The Atmospheric Radiation Measurement program (ARM) of DOE collects CO2-flux measurements (in addition to CO2 concentration and various other meteorological quantities) at several towers located around the globe at half hour temporal frequencies. CO2-fluxes are calculated via the eddy covariance technique, which utilizes CO2-densities and wind velocities to calculate CO2-fluxes. The global coverage of CO2 concentrations as provided by the Orbiting Carbon Observatory (OCO-2) provide satellite-derived CO2 concentrations all over the globe. A framework relating the satellite-inferred CO2 concentrations collocated with the ground-based ARM as well as Ameriflux stations would enable calculations of CO2-fluxes far from the station sites around the entire globe. Regression techniques utilizing deep-learning neural networks may provide such a framework. Additionally, meteorological reanalysis allows for the replacement of the ARM multivariable meteorological variables needed to infer the CO2-fluxes. We present the results of inferring CO2-fluxes from OCO-2 CO2 concentrations for a two year period, Sept. 2014- Sept. 2016 at the ARM station located near Oklahoma City. A feed-forward neural network (FFNN) is used to infer relationships between the following data sets: F([ARM CO2-density], [ARM Meteorological Data]) = [ARM CO2-Flux] F([OCO-2 CO2-density],[ARM Meteorological Data]) = [ARM CO2-Flux] F([ARM CO2-density],[Meteorological Reanalysis]) = [ARM CO2-Flux

  15. PC-SAFT modeling of CO2 solubilities in hydrophobic deep eutectic solvents

    NARCIS (Netherlands)

    Dietz, C.H.J.T.; van Osch, D.J.G.P.; Kroon, M.C.; Sadowski, G.; van Sint Annaland, M.; Gallucci, F.; Zubeir, L.F.; Held, C.

    2017-01-01

    The PC-SAFT 'pseudo-pure' approach was used for the modeling of CO2 solubilities in various hydrophobic deep eutectic solvents (DESs) for the first time. Only liquid density data were used to obtain the segment number, the temperature-independent segment diameter and the dispersion-energy parameter,

  16. Modeling CO2 laser ablation impulse of polymers in vapor and plasma regimes

    International Nuclear Information System (INIS)

    Sinko, John E.; Phipps, Claude R.

    2009-01-01

    An improved model for CO 2 laser ablation impulse in polyoxymethylene and similar polymers is presented that describes the transition effects from the onset of vaporization to the plasma regime in a continuous fashion. Several predictions are made for ablation behavior.

  17. Solubility of grape seed oil in supercritical CO2: Experiments and modeling

    International Nuclear Information System (INIS)

    Duba, Kurabachew Simon; Fiori, Luca

    2016-01-01

    Highlights: • Solubility of grape seed oil in SC-CO 2 for P: 20–50 MPa and T: 313–343 K. • Experimental procedure: dynamic method and oil dispersed on the surface of glass beads. • Eight density-based models and a thermodynamic model to fit the experimental data. • All the models predict the solubility of grape seed oil in SC-CO 2 to a reasonable degree. • Models by Chrastil, del Valle and Aguilera, Kumar and Johnston, and the thermodynamic model are preferable. - Abstract: The solubility of grape (Vitis vinifera L.) seed oil in supercritical CO 2 was measured in the temperature range 313–343 K and pressure range 20–50 MPa using the dynamic technique. Several data and global trends were reported. The results show that, at constant temperature, the solubility increases with the increase in pressure, while the effect of the temperature is different for low and high pressure. The experimental data were modeled by eight density-based models and a thermodynamic model based on the Peng-Robinson equation of state. By best fitting procedures, the “free parameters” of the various models were calculated: in general, all the tested models have proved to be able to predict the solubility of grape seed oil in supercritical CO 2 . Differences in model capabilities have been discussed based on the main characteristics of the various models, evidencing their distinct and common features. The predictive capability of the thermodynamic model was comparable to that of the density-based models.

  18. CO 2 adsorption in mono-, di- and trivalent cation-exchanged metal-organic frameworks: A molecular simulation study

    KAUST Repository

    Chen, Yifei

    2012-02-28

    A molecular simulation study is reported for CO 2 adsorption in rho zeolite-like metal-organic framework (rho-ZMOF) exchanged with a series of cations (Na +, K +, Rb +, Cs +, Mg 2+, Ca 2+, and Al 3+). The isosteric heat and Henry\\'s constant at infinite dilution increase monotonically with increasing charge-to-diameter ratio of cation (Cs + < Rb + < K + < Na + < Ca 2+ < Mg 2+ < Al 3+). At low pressures, cations act as preferential adsorption sites for CO 2 and the capacity follows the charge-to-diameter ratio. However, the free volume of framework becomes predominant with increasing pressure and Mg-rho-ZMOF appears to possess the highest saturation capacity. The equilibrium locations of cations are observed to shift slightly upon CO 2 adsorption. Furthermore, the adsorption selectivity of CO 2/H 2 mixture increases as Cs + < Rb + < K + < Na + < Ca 2+ < Mg 2+ ≈ Al 3+. At ambient conditions, the selectivity is in the range of 800-3000 and significantly higher than in other nanoporous materials. In the presence of 0.1% H 2O, the selectivity decreases drastically because of the competitive adsorption between H 2O and CO 2, and shows a similar value in all of the cation-exchanged rho-ZMOFs. This simulation study provides microscopic insight into the important role of cations in governing gas adsorption and separation, and suggests that the performance of ionic rho-ZMOF can be tailored by cations. © 2012 American Chemical Society.

  19. Stable isotope and modelling evidence for CO2 as a driver of glacial–interglacial vegetation shifts in southern Africa

    Directory of Open Access Journals (Sweden)

    F. J. Bragg

    2013-03-01

    Full Text Available Atmospheric CO2 concentration is hypothesized to influence vegetation distribution via tree–grass competition, with higher CO2 concentrations favouring trees. The stable carbon isotope (δ13C signature of vegetation is influenced by the relative importance of C4 plants (including most tropical grasses and C3 plants (including nearly all trees, and the degree of stomatal closure – a response to aridity – in C3 plants. Compound-specific δ13C analyses of leaf-wax biomarkers in sediment cores of an offshore South Atlantic transect are used here as a record of vegetation changes in subequatorial Africa. These data suggest a large increase in C3 relative to C4 plant dominance after the Last Glacial Maximum. Using a process-based biogeography model that explicitly simulates 13C discrimination, it is shown that precipitation and temperature changes cannot explain the observed shift in δ13C values. The physiological effect of increasing CO2 concentration is decisive, altering the C3/C4 balance and bringing the simulated and observed δ13C values into line. It is concluded that CO2 concentration itself was a key agent of vegetation change in tropical southern Africa during the last glacial–interglacial transition. Two additional inferences follow. First, long-term variations in terrestrial δ13Cvalues are not simply a proxy for regional rainfall, as has sometimes been assumed. Although precipitation and temperature changes have had major effects on vegetation in many regions of the world during the period between the Last Glacial Maximum and recent times, CO2 effects must also be taken into account, especially when reconstructing changes in climate between glacial and interglacial states. Second, rising CO2 concentration today is likely to be influencing tree–grass competition in a similar way, and thus contributing to the "woody thickening" observed in savannas worldwide. This second inference points to the importance of experiments to

  20. Increasing canopy photosynthesis in rice can be achieved without a large increase in water use-A model based on free-air CO2 enrichment.

    Science.gov (United States)

    Ikawa, Hiroki; Chen, Charles P; Sikma, Martin; Yoshimoto, Mayumi; Sakai, Hidemitsu; Tokida, Takeshi; Usui, Yasuhiro; Nakamura, Hirofumi; Ono, Keisuke; Maruyama, Atsushi; Watanabe, Tsutomu; Kuwagata, Tsuneo; Hasegawa, Toshihiro

    2018-03-01

    Achieving higher canopy photosynthesis rates is one of the keys to increasing future crop production; however, this typically requires additional water inputs because of increased water loss through the stomata. Lowland rice canopies presently consume a large amount of water, and any further increase in water usage may significantly impact local water resources. This situation is further complicated by changing the environmental conditions such as rising atmospheric CO 2 concentration ([CO 2 ]). Here, we modeled and compared evapotranspiration of fully developed rice canopies of a high-yielding rice cultivar (Oryza sativa L. cv. Takanari) with a common cultivar (cv. Koshihikari) under ambient and elevated [CO 2 ] (A-CO 2 and E-CO 2 , respectively) via leaf ecophysiological parameters derived from a free-air CO 2 enrichment (FACE) experiment. Takanari had 4%-5% higher evapotranspiration than Koshihikari under both A-CO 2 and E-CO 2 , and E-CO 2 decreased evapotranspiration of both varieties by 4%-6%. Therefore, if Takanari was cultivated under future [CO 2 ] conditions, the cost for water could be maintained at the same level as for cultivating Koshihikari at current [CO 2 ] with an increase in canopy photosynthesis by 36%. Sensitivity analyses determined that stomatal conductance was a significant physiological factor responsible for the greater canopy photosynthesis in Takanari over Koshihikari. Takanari had 30%-40% higher stomatal conductance than Koshihikari; however, the presence of high aerodynamic resistance in the natural field and lower canopy temperature of Takanari than Koshihikari resulted in the small difference in evapotranspiration. Despite the small difference in evapotranspiration between varieties, the model simulations showed that Takanari clearly decreased canopy and air temperatures within the planetary boundary layer compared to Koshihikari. Our results indicate that lowland rice varieties characterized by high-stomatal conductance can play a

  1. CO 2 adsorption in mono-, di- and trivalent cation-exchanged metal-organic frameworks: A molecular simulation study

    KAUST Repository

    Chen, Yifei; Nalaparaju, Anjaiah; Eddaoudi, Mohamed; JIANG, Jianwen

    2012-01-01

    A molecular simulation study is reported for CO 2 adsorption in rho zeolite-like metal-organic framework (rho-ZMOF) exchanged with a series of cations (Na +, K +, Rb +, Cs +, Mg 2+, Ca 2+, and Al 3+). The isosteric heat and Henry's constant

  2. Removal of 14C-contaminated CO2 from simulated LWR fuel reprocessing off-gas by utilizing the reaction between CO2 and alkaline hydroxides in either slurry or solid form

    International Nuclear Information System (INIS)

    Holladay, D.W.; Haag, G.L.

    1979-01-01

    An important consideration in the design of a LWR fuel reprocessing plant is the removal of 14 C-contaminated CO 2 from the process off-gas. The separation and fixation of essentially all the CO 2 from the simulated off-gas can be accomplished by reaction with alkaline slurries in agitated tank-type contactors. Based on efficacy for CO 2 removal, consideration of reactant cost, and stability of the carbonate product as related to long-term storage requirements, the two most promising slurry reactants for CO 2 removal from low CO 2 -content feed gases are Ca(OH) 2 and Ba(OH) 2 . The removal of 14 C-contaminated CO 2 from simulated LWR off-gases was studied as a function of both operating conditions and varying sizes of bench-scale design. Parametrically, the effects on the CO 2 removal rate of feed composition (330 ppM - 4.47% CO 2 ), impeller speed (325 to 650 rpm), superficial velocity (5 to 80 cm/min), reactants [Mg(OH) 2 , NaOH], contactor size (20.3 cm and 27.3 cm ID), and type of operation (semibatch or continuous slurry) were deterined

  3. A workflow for handling heterogeneous 3D models with the TOUGH2 family of codes: Applications to numerical modeling of CO 2 geological storage

    Science.gov (United States)

    Audigane, Pascal; Chiaberge, Christophe; Mathurin, Frédéric; Lions, Julie; Picot-Colbeaux, Géraldine

    2011-04-01

    This paper is addressed to the TOUGH2 user community. It presents a new tool for handling simulations run with the TOUGH2 code with specific application to CO 2 geological storage. This tool is composed of separate FORTRAN subroutines (or modules) that can be run independently, using input and output files in ASCII format for TOUGH2. These modules have been developed specifically for modeling of carbon dioxide geological storage and their use with TOUGH2 and the Equation of State module ECO2N, dedicated to CO 2-water-salt mixture systems, with TOUGHREACT, which is an adaptation of TOUGH2 with ECO2N and geochemical fluid-rock interactions, and with TOUGH2 and the EOS7C module dedicated to CO 2-CH 4 gas mixture is described. The objective is to save time for the pre-processing, execution and visualization of complex geometry for geological system representation. The workflow is rapid and user-friendly and future implementation to other TOUGH2 EOS modules for other contexts (e.g. nuclear waste disposal, geothermal production) is straightforward. Three examples are shown for validation: (i) leakage of CO 2 up through an abandoned well; (ii) 3D reactive transport modeling of CO 2 in a sandy aquifer formation in the Sleipner gas Field, (North Sea, Norway); and (iii) an estimation of enhanced gas recovery technology using CO 2 as the injected and stored gas to produce methane in the K12B Gas Field (North Sea, Denmark).

  4. A new integration model of the calcium looping technology into coal fired power plants for CO_2 capture

    International Nuclear Information System (INIS)

    Ortiz, C.; Chacartegui, R.; Valverde, J.M.; Becerra, J.A.

    2016-01-01

    Highlights: • A CaL-CFPP (coal fired power plant) integration model is proposed and efficiency penalty is estimated. • Carbonation in the diffusion stage is considered to predict the capture efficiency. • Low efficiency penalty may be achieved by operating with longer particles’ residence time. • Simulation results show that the energy penalty ranges between 4% and 7% points. - Abstract: The Ca-Looping (CaL) process is at the root of a promising 2nd generation technology for post-combustion CO_2 capture at coal fired power plants. The process is based on the reversible and quick carbonation/calcination reaction of CaO/CaCO_​_3 at high temperatures and allows using low cost, widely available and non toxic CaO precursors such as natural limestone. In this work, the efficiency penalty caused by the integration of the Ca-looping technology into a coal fired power plant is analyzed. The results of the simulations based on the proposed integration model show that efficiency penalty varies between 4% and 7% points, which yields lower energy costs than other more mature post-combustion CO_2 capture technologies such as the currently commercial amine scrubbing technology. A principal feature of the CaL process at CO_2 capture conditions is that it produces a large amount of energy and therefore an optimized integration of the systems energy flows is essential for the feasibility of the integration at the commercial level. As a main novel contribution, CO_2 capture efficiency is calculated in our work by considering the important role of the solid-state diffusion controlled carbonation phase, which becomes relevant when CaO regeneration is carried out under high CO_2 partial pressure as is the case with the CaL process for CO_2 capture. The results obtained based on the new model suggest that integration energy efficiency would be significantly improved as the solids residence time in the carbonator reactor is increased.

  5. Extended UNIQUAC model for thermodynamic modeling of CO2 absorption in aqueous alkanolamine solutions

    DEFF Research Database (Denmark)

    Faramarzi, Leila; Kontogeorgis, Georgios; Thomsen, Kaj

    2009-01-01

    The extended UNIQUAC model [K. Thomsen, R Rasmussen, Chem. Eng. Sci. 54 (1999) 1787-1802] was applied to the thermodynamic representation of carbon dioxide absorption in aqueous monoethanolamine (MEA), methyldiethanolamine (MDEA) and varied strength mixtures of the two alkanolamines (MEA-MDEA). F......The extended UNIQUAC model [K. Thomsen, R Rasmussen, Chem. Eng. Sci. 54 (1999) 1787-1802] was applied to the thermodynamic representation of carbon dioxide absorption in aqueous monoethanolamine (MEA), methyldiethanolamine (MDEA) and varied strength mixtures of the two alkanolamines (MEA......) are included in the parameter estimation process. The previously unavailable standard state properties of the alkanolamine ions appearing in this work, i.e. MEA protonate, MEA carbamate and MDEA protonate are determined. The concentration of the species in both MEA and MDEA solutions containing CO2...

  6. Partitioning CO2 fluxes with isotopologue measurements and modeling to understand mechanisms of forest carbon sequestration

    Energy Technology Data Exchange (ETDEWEB)

    Saleska, Scott [Univ. of Arizona, Tucson, AZ (United States); Davidson, Eric [Univ. of Arizona, Tucson, AZ (United States); Finzi, Adrien [Boston Univ., MA (United States); Wehr, Richdard [Harvard Univ., Cambridge, MA (United States); Moorcroft, Paul [Harvard Univ., Cambridge, MA (United States)

    2016-01-28

    1. Objectives This project combines automated in situ observations of the isotopologues of CO2 with root observations, novel experimental manipulations of belowground processes, and isotope-enabled ecosystem modeling to investigate mechanisms of below- vs. aboveground carbon sequestration at the Harvard Forest Environmental Measurements Site (EMS). The proposed objectives, which have now been largely accomplished, include: A. Partitioning of net ecosystem CO2 exchange (NEE) into photosynthesis and respiration using long-term continuous observations of the isotopic composition of NEE, and analysis of their dynamics ; B. Investigation of the influence of vegetation phenology on the timing and magnitude of carbon allocated belowground using measurements of root growth and indices of belowground autotrophic vs. heterotrophic respiration (via trenched plots and isotope measurements); C. Testing whether plant allocation of carbon belowground stimulates the microbial decomposition of soil organic matter, using in situ rhizosphere simulation experiments wherein realistic quantities of artificial isotopically-labeled exudates are released into the soil; and D. Synthesis and interpretation of the above data using the Ecosystem Demography Model 2 (ED2). 2. Highlights Accomplishments: • Our isotopic eddy flux record has completed its 5th full year and has been used to independently estimate ecosystem-scale respiration and photosynthesis. • Soil surface chamber isotopic flux measurements were carried out during three growing seasons, in conjunction with a trenching manipulation. Key findings to date (listed by objective): A. Partitioning of Net Ecosystem Exchange: 1. Ecosystem respiration is lower during the day than at night—the first robust evidence of the inhibition of leaf respiration by light (the “Kok effect”) at the ecosystem scale. 2. Because it neglects the Kok effect, the standard NEE partitioning approach overestimates ecosystem photosynthesis (by ~25%) and

  7. A comparative analysis of simulated and observed photosynthetic CO2 uptake in two coniferous forest canopies

    DEFF Research Database (Denmark)

    Ibrom, A.; Jarvis, P.G.; Clement, R.

    2006-01-01

    -photosynthetically-active-radiation-induced biophysical variability in the simulated Pg. Analysis of residuals identified only small systematic differences between the modeled flux estimates and turbulent flux measurements at high vapor pressure saturation deficits. The merits and limitations of comparative analysis for quality evaluation of both...

  8. 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

  9. Short-term effects of CO2 leakage on the soil bacterial community in a simulated gas leakage scenario

    Directory of Open Access Journals (Sweden)

    Jing Ma

    2017-11-01

    Full Text Available The technology of carbon dioxide (CO2 capture and storage (CCS has provided a new option for mitigating global anthropogenic emissions with unique advantages. However, the potential risk of gas leakage from CO2 sequestration and utilization processes has attracted considerable attention. Moreover, leakage might threaten soil ecosystems and thus cannot be ignored. In this study, a simulation experiment of leakage from CO2 geological storage was designed to investigate the short-term effects of different CO2 leakage concentration (from 400 g m−2 day−1 to 2,000 g m−2 day−1 on soil bacterial communities. A shunt device and adjustable flow meter were used to control the amount of CO2 injected into the soil. Comparisons were made between soil physicochemical properties, soil enzyme activities, and microbial community diversity before and after injecting different CO2 concentrations. Increasing CO2 concentration decreased the soil pH, and the largest variation ranged from 8.15 to 7.29 (p < 0.05. Nitrate nitrogen content varied from 1.01 to 4.03 mg/Kg, while Olsen-phosphorus and total phosphorus demonstrated less regular downtrends. The fluorescein diacetate (FDA hydrolytic enzyme activity was inhibited by the increasing CO2 flux, with the average content varying from 22.69 to 11.25 mg/(Kg h (p < 0.05. However, the increasing activity amplitude of the polyphenol oxidase enzyme approached 230%, while the urease activity presented a similar rising trend. Alpha diversity results showed that the Shannon index decreased from 7.66 ± 0.13 to 5.23 ± 0.35 as the soil CO2 concentration increased. The dominant phylum in the soil samples was Proteobacteria, whose proportion rose rapidly from 28.85% to 67.93%. In addition, the proportion of Acidobacteria decreased from 19.64% to 9.29% (p < 0.01. Moreover, the abundances of genera Methylophilus, Methylobacillus, and Methylovorus increased, while GP4, GP6 and GP7 decreased. Canonical correlation analysis

  10. Geomechanical Modeling of Fault Responses and the Potential for Notable Seismic Events during Underground CO2 Injection

    Science.gov (United States)

    Rutqvist, J.; Cappa, F.; Mazzoldi, A.; Rinaldi, A.

    2012-12-01

    The importance of geomechanics associated with large-scale geologic carbon storage (GCS) operations is now widely recognized. There are concerns related to the potential for triggering notable (felt) seismic events and how such events could impact the long-term integrity of a CO2 repository (as well as how it could impact the public perception of GCS). In this context, we review a number of modeling studies and field observations related to the potential for injection-induced fault reactivations and seismic events. We present recent model simulations of CO2 injection and fault reactivation, including both aseismic and seismic fault responses. The model simulations were conducted using a slip weakening fault model enabling sudden (seismic) fault rupture, and some of the numerical analyses were extended to fully dynamic modeling of seismic source, wave propagation, and ground motion. The model simulations illustrated what it will take to create a magnitude 3 or 4 earthquake that would not result in any significant damage at the groundsurface, but could raise concerns in the local community and could also affect the deep containment of the stored CO2. The analyses show that the local in situ stress field, fault orientation, fault strength, and injection induced overpressure are critical factors in determining the likelihood and magnitude of such an event. We like to clarify though that in our modeling we had to apply very high injection pressure to be able to intentionally induce any fault reactivation. Consequently, our model simulations represent extreme cases, which in a real GCS operation could be avoided by estimating maximum sustainable injection pressure and carefully controlling the injection pressure. In fact, no notable seismic event has been reported from any of the current CO2 storage projects, although some unfelt microseismic activities have been detected by geophones. On the other hand, potential future commercial GCS operations from large power plants

  11. Validation of the MIPAS CO2 volume mixing ratio in the mesosphere and lower thermosphere and comparison with WACCM simulations

    Science.gov (United States)

    López-Puertas, Manuel; Funke, B.; Jurado-Navarro, Á. A.; García-Comas, M.; Gardini, A.; Boone, C. D.; Rezac, L.; Garcia, R. R.

    2017-08-01

    We present the validation of Michelson Interferometer for Passive Atmospheric Sounding (MIPAS) CO2 daytime concentration in the mesosphere and lower thermosphere by comparing with Atmospheric Chemistry Experiment (ACE) Fourier transform spectrometer and Sounding of the Atmosphere using Broadband Emission Radiometry (SABER) data. MIPAS shows a very good agreement with ACE below 100 km with differences of ˜5%. Above 100 km, MIPAS CO2 is generally lower than ACE with differences growing from ˜5% at 100 km to 20-40% near 110-120 km. Part of this disagreement can be explained by the lack of a nonlocal thermodynamic equilibrium correction in ACE. MIPAS also agrees very well (˜5%) with SABER below 100 km. At 90-105 km, MIPAS is generally smaller than SABER by 10-30% in the polar summers. At 100-120 km, MIPAS and SABER CO2 agree within ˜10% during equinox but, for solstice, MIPAS is larger by 10-25%, except near the polar summer. Whole Atmosphere Community Climate Model (WACCM) CO2 shows the major MIPAS features. At 75-100 km, the agreement is very good (˜5%), with maximum differences of ˜10%. At 95-115 km MIPAS CO2 is larger than WACCM by 20-30% in the winter hemisphere but smaller (20-40%) in the summer. Above 95-100 km WACCM generally overestimates MIPAS CO2 by about 20-80% except in the polar summer where underestimates it by 20-40%. MIPAS CO2 favors a large eddy diffusion below 100 km and suggests that the meridional circulation of the lower thermosphere is stronger than in WACCM. The three instruments and WACCM show a clear increase of CO2 with time, more markedly at 90-100 km.

  12. 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

  13. Challenging terrestrial biosphere models with data from the long-term multifactor Prairie Heating and CO2 Enrichment experiment.

    Science.gov (United States)

    De Kauwe, Martin G; Medlyn, Belinda E; Walker, Anthony P; Zaehle, Sönke; Asao, Shinichi; Guenet, Bertrand; Harper, Anna B; Hickler, Thomas; Jain, Atul K; Luo, Yiqi; Lu, Xingjie; Luus, Kristina; Parton, William J; Shu, Shijie; Wang, Ying-Ping; Werner, Christian; Xia, Jianyang; Pendall, Elise; Morgan, Jack A; Ryan, Edmund M; Carrillo, Yolima; Dijkstra, Feike A; Zelikova, Tamara J; Norby, Richard J

    2017-09-01

    Multifactor experiments are often advocated as important for advancing terrestrial biosphere models (TBMs), yet to date, such models have only been tested against single-factor experiments. We applied 10 TBMs to the multifactor Prairie Heating and CO 2 Enrichment (PHACE) experiment in Wyoming, USA. Our goals were to investigate how multifactor experiments can be used to constrain models and to identify a road map for model improvement. We found models performed poorly in ambient conditions; there was a wide spread in simulated above-ground net primary productivity (range: 31-390 g C m -2  yr -1 ). Comparison with data highlighted model failures particularly with respect to carbon allocation, phenology, and the impact of water stress on phenology. Performance against the observations from single-factors treatments was also relatively poor. In addition, similar responses were predicted for different reasons across models: there were large differences among models in sensitivity to water stress and, among the N cycle models, N availability during the experiment. Models were also unable to capture observed treatment effects on phenology: they overestimated the effect of warming on leaf onset and did not allow CO 2 -induced water savings to extend the growing season length. Observed interactive (CO 2  × warming) treatment effects were subtle and contingent on water stress, phenology, and species composition. As the models did not correctly represent these processes under ambient and single-factor conditions, little extra information was gained by comparing model predictions against interactive responses. We outline a series of key areas in which this and future experiments could be used to improve model predictions of grassland responses to global change. © 2017 John Wiley & Sons Ltd.

  14. 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

  15. Forecasting Energy CO2 Emissions Using a Quantum Harmony Search Algorithm-Based DMSFE Combination Model

    Directory of Open Access Journals (Sweden)

    Xingsheng Gu

    2013-03-01

    Full Text Available he accurate forecasting of carbon dioxide (CO2