Science.gov

Sample records for carbon deflagration model

  1. CARBON DEFLAGRATION IN TYPE Ia SUPERNOVA. I. CENTRALLY IGNITED MODELS

    SciTech Connect

    Ma, H.; Woosley, S. E.; Malone, C. M.; Almgren, A.; Bell, J.

    2013-07-01

    A leading model for Type Ia supernovae (SNe Ia) begins with a white dwarf near the Chandrasekhar mass that ignites a degenerate thermonuclear runaway close to its center and explodes. In a series of papers, we shall explore the consequences of ignition at several locations within such dwarfs. Here we assume central ignition, which has been explored before, but is worth revisiting, if only to validate those previous studies and to further elucidate the relevant physics for future work. A perturbed sphere of hot iron ash with a radius of {approx}100 km is initialized at the middle of the star. The subsequent explosion is followed in several simulations using a thickened flame model in which the flame speed is either fixed-within the range expected from turbulent combustion-or based on the local turbulent intensity. Global results, including the explosion energy and bulk nucleosynthesis (e.g., {sup 56}Ni of 0.48-0.56 M{sub Sun }) turn out to be insensitive to this speed. In all completed runs, the energy released by the nuclear burning is adequate to unbind the star, but not enough to give the energy and brightness of typical SNe Ia. As found previously, the chemical stratification observed in typical events is not reproduced. These models produce a large amount of unburned carbon and oxygen in central low velocity regions, which is inconsistent with spectroscopic observations, and the intermediate mass elements and iron group elements are strongly mixed during the explosion.

  2. Modeling deflagration waves out of hot spots

    NASA Astrophysics Data System (ADS)

    Partom, Yehuda

    2017-01-01

    It is widely accepted that shock initiation and detonation of heterogeneous explosives comes about by a two-step process known as ignition and growth. In the first step a shock sweeping through an explosive cell (control volume) creates hot spots that become ignition sites. In the second step, deflagration waves (or burn waves) propagate out of those hot spots and transform the reactant in the cell into reaction products. The macroscopic (or average) reaction rate of the reactant in the cell depends on the speed of those deflagration waves and on the average distance between neighboring hot spots. Here we simulate the propagation of deflagration waves out of hot spots on the mesoscale in axial symmetry using a 2D hydrocode, to which we add heat conduction and bulk reaction. The propagation speed of the deflagration waves may depend on both pressure and temperature. It depends on pressure for quasistatic loading near ambient temperature, and on temperature at high temperatures resulting from shock loading. From the simulation we obtain deflagration fronts emanating out of the hot spots. For 8 to 13 GPa shocks, the emanating fronts propagate as deflagration waves to consume the explosive between hot spots. For higher shock levels deflagration waves may interact with the sweeping shock to become detonation waves on the mesoscale. From the simulation results we extract average deflagration wave speeds.

  3. Engineering models of deflagration-to-detonation transition

    SciTech Connect

    Bdzil, J.B.; Son, S.F.

    1995-07-01

    For the past two years, Los Alamos has supported research into the deflagration-to-detonation transition (DDT) in damaged energetic materials as part of the explosives safety program. This program supported both a theory/modeling group and an experimentation group. The goal of the theory/modeling group was to examine the various modeling structures (one-phase models, two-phase models, etc.) and select from these a structure suitable to model accidental initiation of detonation in damaged explosives. The experimental data on low-velocity piston supported DDT in granular explosive was to serve as a test bed to help in the selection process. Three theoretical models have been examined in the course of this study: (1) the Baer-Nunziato (BN) model, (2) the Stewart-Prasad-Asay (SPA) model and (3) the Bdzil-Kapila-Stewart model. Here we describe these models, discuss their properties, and compare their features.

  4. Modelling propagation of deflagration waves out of hot spots

    NASA Astrophysics Data System (ADS)

    Partom, Yehuda

    2015-06-01

    It is widely accepted that shock initiation and detonation of heterogeneous explosives come about by a two-step process known as ignition and growth. In the first step a shock sweeping an explosive cell (control volume) creates hot spots that become ignition sites. In the second step deflagration waves (or burn waves) propagate out of those hot spots and transform the reactant in the cell into reaction products. The macroscopic (or average) reaction rate of the reactant in a cell depends on the speed of those deflagration waves and on the average distance between neighbouring hot spots. Here we simulate the propagation of deflagration waves out of hot spots on the mesoscale in axial symmetry using a 2D hydrocode, to which we add heat conduction and bulk reaction. The propagation speed of the deflagration wave depends on both pressure and temperature, where pressure dependence is dominant at low shock level, and temperature dependence is dominant at a higher shock level. From the simulation we obtain deflagration (or burn) fronts emanating out of the hot spots. For intermediate shock levels the deflagration waves consume the explosive between hot spots. For higher shock levels the deflagration waves strengthen to become detonation waves on the mesoscale. From the simulation results we extract average deflagration wave speeds and show how they depend on reaction rate and on other material parameters.

  5. Numerical modeling of deflagration mode in coaxial plasma guns

    NASA Astrophysics Data System (ADS)

    Sitaraman, Hariswaran; Raja, Laxminarayan

    2012-10-01

    Pulsed coaxial plasma guns have been used in several applications in the field of space propulsion, nuclear fusion and materials processing. These devices operate in two modes based on the delay between gas injection and breakdown initiation. Larger delay led to the plasma detonation mode where a compression wave in the form of a luminous front propagates from the breech to the muzzle. Shorter delay led to the more efficient deflagration mode characterized by a relatively diffuse plasma with higher resistivity. The overall physics of the discharge in the two modes of operation and in particular the latter remain relatively unexplored. Here we perform a computational modeling study by solving the non-ideal Magneto-hydrodynamics equations for the quasi-neutral plasma in the coaxial plasma gun. A finite volume formulation on an unstructured mesh framework with an implicit scheme is used to do stable computations. The final work will present details of important species in the plasma, particle energies and Mach number at the muzzle. A comparison of the plasma parameters will be made with the experiments reported in ref. [1]. [4pt] [1] F. R. Poehlmann et al., Phys. Plasmas 17, 123508 (2010)

  6. Deflagrations and detonations in thermonuclear supernovae.

    PubMed

    Gamezo, Vadim N; Khokhlov, Alexei M; Oran, Elaine S

    2004-05-28

    We study a type Ia supernova explosion using three-dimensional numerical simulations based on reactive fluid dynamics. We consider a delayed-detonation model that assumes a deflagration-to-detonation transition. In contrast with the pure deflagration model, the delayed-detonation model releases enough energy to account for a healthy explosion, and does not leave carbon, oxygen, and intermediate-mass elements in central parts of a white dwarf. This removes the key disagreement between simulations and observations, and makes a delayed detonation the mostly likely mechanism for type Ia supernovae.

  7. Deflagration Wave Profiles

    SciTech Connect

    Menikoff, Ralph

    2012-04-03

    Shock initiation in a plastic-bonded explosives (PBX) is due to hot spots. Current reactive burn models are based, at least heuristically, on the ignition and growth concept. The ignition phase occurs when a small localized region of high temperature (or hot spot) burns on a fast time scale. This is followed by a growth phase in which a reactive front spreads out from the hot spot. Propagating reactive fronts are deflagration waves. A key question is the deflagration speed in a PBX compressed and heated by a shock wave that generated the hot spot. Here, the ODEs for a steady deflagration wave profile in a compressible fluid are derived, along with the needed thermodynamic quantities of realistic equations of state corresponding to the reactants and products of a PBX. The properties of the wave profile equations are analyzed and an algorithm is derived for computing the deflagration speed. As an illustrative example, the algorithm is applied to compute the deflagration speed in shock compressed PBX 9501 as a function of shock pressure. The calculated deflagration speed, even at the CJ pressure, is low compared to the detonation speed. The implication of this are briefly discussed.

  8. TURBULENCE IN A THREE-DIMENSIONAL DEFLAGRATION MODEL FOR TYPE Ia SUPERNOVAE. II. INTERMITTENCY AND THE DEFLAGRATION-TO-DETONATION TRANSITION PROBABILITY

    SciTech Connect

    Schmidt, W.; Niemeyer, J. C.; Ciaraldi-Schoolmann, F.; Roepke, F. K.; Hillebrandt, W.

    2010-02-20

    The delayed detonation model describes the observational properties of the majority of Type Ia supernovae very well. Using numerical data from a three-dimensional deflagration model for Type Ia supernovae, the intermittency of the turbulent velocity field and its implications on the probability of a deflagration-to-detonation (DDT) transition are investigated. From structure functions of the turbulent velocity fluctuations, we determine intermittency parameters based on the log-normal and the log-Poisson models. The bulk of turbulence in the ash regions appears to be less intermittent than predicted by the standard log-normal model and the She-Leveque model. On the other hand, the analysis of the turbulent velocity fluctuations in the vicinity of the flame front by Roepke suggests a much higher probability of large velocity fluctuations on the grid scale in comparison to the log-normal intermittency model. Following Pan et al., we computed probability density functions for a DDT for the different distributions. The determination of the total number of regions at the flame surface, in which DDTs can be triggered, enables us to estimate the total number of events. Assuming that a DDT can occur in the stirred flame regime, as proposed by Woosley et al., the log-normal model would imply a delayed detonation between 0.7 and 0.8 s after the beginning of the deflagration phase for the multi-spot ignition scenario used in the simulation. However, the probability drops to virtually zero if a DDT is further constrained by the requirement that the turbulent velocity fluctuations reach about 500 km s{sup -1}. Under this condition, delayed detonations are only possible if the distribution of the velocity fluctuations is not log-normal. From our calculations follows that the distribution obtained by Roepke allow for multiple DDTs around 0.8 s after ignition at a transition density close to 1 x 10{sup 7} g cm{sup -3}.

  9. A Skeletal, Gas Phase, Finite Rate, Chemical Kinetics Mechanism for Modeling the Deflagration of Ammonium Perchlorate - Hydroxyl-Terminated Polybutadiene Composite Propellants

    DTIC Science & Technology

    2016-04-01

    the Deflagration of Ammonium Perchlorate— Hydroxyl- Terminated Polybutadiene Composite Propellants by Chiung-Chu Chen and Michael McQuaid...for Modeling the Deflagration of Ammonium Perchlorate— Hydroxyl- Terminated Polybutadiene Composite Propellants by Chiung-Chu Chen and Michael...Ammonium Perchlorate—Hydroxyl- Terminated Polybutadiene Composite Propellants 5a. CONTRACT NUMBER 5b. GRANT NUMBER 5c. PROGRAM ELEMENT NUMBER 6

  10. Benchmarking Of Improved DPAC Transient Deflagration Analysis Code

    SciTech Connect

    Laurinat, James E.; Hensel, Steve J.

    2013-03-21

    The transient deflagration code DPAC (Deflagration Pressure Analysis Code) has been upgraded for use in modeling hydrogen deflagration transients. The upgraded code is benchmarked using data from vented hydrogen deflagration tests conducted at the HYDRO-SC Test Facility at the University of Pisa. DPAC originally was written to calculate peak deflagration pressures for deflagrations in radioactive waste storage tanks and process facilities at the Savannah River Site. Upgrades include the addition of a laminar flame speed correlation for hydrogen deflagrations and a mechanistic model for turbulent flame propagation, incorporation of inertial effects during venting, and inclusion of the effect of water vapor condensation on vessel walls. In addition, DPAC has been coupled with CEA, a NASA combustion chemistry code. The deflagration tests are modeled as end-to-end deflagrations. The improved DPAC code successfully predicts both the peak pressures during the deflagration tests and the times at which the pressure peaks.

  11. Two-phase modeling of deflagration-to-detonation transition in granular materials: Reduced equations

    NASA Astrophysics Data System (ADS)

    Kapila, A. K.; Menikoff, R.; Bdzil, J. B.; Son, S. F.; Stewart, D. S.

    2001-10-01

    Of the two-phase mixture models used to study deflagration-to-detonation transition in granular explosives, the Baer-Nunziato model is the most highly developed. It allows for unequal phase velocities and phase pressures, and includes source terms for drag and compaction that strive to erase velocity and pressure disequilibria. Since typical time scales associated with the equilibrating processes are small, source terms are stiff. This stiffness motivates the present work where we derive two reduced models in sequence, one with a single velocity and the other with both a single velocity and a single pressure. These reductions constitute outer solutions in the sense of matched asymptotic expansions, with the corresponding inner layers being just the partly dispersed shocks of the full model. The reduced models are hyperbolic and are mechanically as well as thermodynamically consistent with the parent model. However, they cannot be expressed in conservation form and hence require a regularization in order to fully specify the jump conditions across shock waves. Analysis of the inner layers of the full model provides one such regularization [Kapila et al., Phys. Fluids 9, 3885 (1997)], although other choices are also possible. Dissipation associated with degrees of freedom that have been eliminated is restricted to the thin layers and is accounted for by the jump conditions.

  12. MESOSCALE MODELING OF DEFLAGRATION-INDUCED DECONSOLIDATION IN POLYMER-BONDED EXPLOSIVES

    SciTech Connect

    Springer, H K; Glascoe, E A; Reaugh, J E; Kercher, J R; Maienschein, J L

    2011-08-01

    Initially undamaged polymer-bonded explosives can transition from conductive burning to more violent convective burning via rapid deconsolidation at higher pressures. The pressure-dependent infiltration of cracks and pores, i.e., damage, by product gases at the burn-front is a key step in the transition to convective burning. However, the relative influence of pre-existing damage and the evolution of deflagration-induced damage during the transition to convective burning is not well understood. The objective of this study is to investigate the role of microstructure and initial pressurization on deconsolidation. We performed simulations using the multi-physics hydrocode, ALE3D. HMX-Viton A served as our model explosive. A Prout-Tompkins chemical kinetic model, Vielle's Law pressure-dependent burning, Gruneisen equation-of-state, and simplified strength model were used for the HMX. The propensity for deconsolidation increased with increasing defect size and decreasing initial pressurization, as measured by the increase in burning surface area. These studies are important because they enable the development of continuum-scale damage models and the design of inherently safer explosives.

  13. Observation and modeling of deflagration-to-detonation transition (DDT) in low-density HMX

    NASA Astrophysics Data System (ADS)

    Tringe, Joseph W.; Vandersall, Kevin S.; Reaugh, John E.; Levie, Harold W.; Henson, Bryan F.; Smilowitz, Laura B.; Parker, Gary R.

    2017-01-01

    We employ simultaneous flash x-ray radiography and streak imaging, together with a multi-phase finite element model, to understand deflagration-to-detonation transition (DDT) phenomena in low-density (˜1.2 gm/cm3) powder of the explosive cyclotetramethylene-tetranitramine (HMX). HMX powder was lightly hand-tamped in a 12.7 mm diameter column, relatively lightly-confined in an optically-transparent polycarbonate cylinder with wall thickness 25.4 mm. We observe apparent compaction of the powder in advance of the detonation transition by the motion of small steel spheres pre-emplaced throughout the length of explosive. High-speed imaging along the explosive cylinder length provides a more temporally continuous record of the transition that is correlated with the high-resolution x-ray image record. Preliminary simulation of these experiments with the HERMES model implemented in the ALE3D code enables improved understanding of the explosive particle burning, compaction and detonation phenomena which are implied by the observed reaction rate and transition location within the cylinder.

  14. Observation and modeling of deflagration-to-detonation (DDT) transition in low-density HMX

    NASA Astrophysics Data System (ADS)

    Tringe, Joseph; Vandersall, Kevin; Reaugh, Jack; Levie, Harold; Henson, Bryan; Smilowitz, Laura; Parker, Gary

    2015-06-01

    We employ simultaneous flash x-ray radiography and streak imaging, together with a multi-phase finite element model, to understand deflagration-to-detonation transition (DDT) phenomena in low-density (~ 1.2 gm/cm3) powder of the explosive cyclotetramethylene-tetranitramine (HMX). HMX powder was lightly hand-tamped in a 12.7 mm diameter column, relatively lightly-confined in an optically-transparent polycarbonate cylinder with wall thickness 25.4 mm. We observe apparent compaction of the powder in advance of the detonation transition, both by x-ray contrast and by the motion of small steel spheres pre-emplaced throughout the length of explosive. High-speed imaging along the explosive cylinder length provides a temporally continuous record of the transition that is correlated with the high-resolution x-ray image record. Preliminary simulation of these experiments with the HERMES model implemented in the ALE3D code enables improved understanding of the explosive particle burning, compaction and detonation phenomena which are implied by the observed reaction rate and transition location within the cylinder. This work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

  15. The Deflagration Stage of Chandrasekhar Mass Models for Type Ia Supernovae. I. Early Evolution

    NASA Astrophysics Data System (ADS)

    Malone, C. M.; Nonaka, A.; Woosley, S. E.; Almgren, A. S.; Bell, J. B.; Dong, S.; Zingale, M.

    2014-02-01

    We present high-resolution, full-star simulations of the post-ignition phase of Type Ia supernovae using the compressible hydrodynamics code Castro. Initial conditions, including the turbulent velocity field and ignition site, are imported directly from a simulation of the last few hours of presupernova convection using a low Mach number code, Maestro. Adaptive mesh refinement allows the initial burning front to be modeled with an effective resolution of 36,8643 zones (136 m zone-1). The initial rise and expansion of the deflagration front are tracked until burning reaches the star's edge and the role of the background turbulence on the flame is investigated. The effect of artificially moving the ignition location closer to the star's center is explored. The degree to which turbulence affects the burning front decreases with increasing ignition radius since the buoyancy force is stronger at larger radii. Even central ignition—in the presence of a background convective flow field—is rapidly carried off-center as the flame is carried by the flow field. We compare our results to analytic models for burning thermals, and find that they reproduce the general trends of the bubble's size and mass, but underpredict the amount of buoyant acceleration due to simplifying assumptions of the bubble's properties. Overall, we find that the amount of mass that burns prior to flame break out is small, consistent with a "gravitationally confined detonation" occurring at a later epoch, but additional burning will occur following breakout that may modify this conclusion.

  16. The delayed-detonation model of a type Ia supernovae. 1: The deflagration phase

    NASA Technical Reports Server (NTRS)

    Arnett, David; Livne, Eli

    1994-01-01

    The nature of the 'delayed detonation' mechanism of Khokhlov for the explosion of Type Ia supernovae is investigated by using two-dimensional numerical hydrodynamics simulations. A new algorithm is used to treat the deflagration front. Assuming that it propagates locally at the laminar flame speed, the deflagration is insufficient to unbind the star. Expansion shuts of the flame; much of this small production of iron group nuclei occurs at lower densities, which reduces the electron-capture problem. The burning front does become wrinkled, but the wavelength of the instability is much larger than the computational grid size and is resolved; this is consistent with previous analysis. Because the degenerate star has an adiabatic exponent only slightly above 4/3, the energy released by deflagration drives a pulsation of large amplitude. During the first expansion phase, adiabatic cooling shuts off the burning, and a Rayleigh-Taylor instability then gives mixing of high-entropy ashes with low-entropy fuel. During the first contraction phase, compressional heating reignites the material. This paper deals with the deflagration phase, from the onset of burning, through expansion and quenching of the flame, to the first contraction.

  17. The deflagration stage of Chandrasekhar mass models for type Ia supernovae. I. Early evolution

    SciTech Connect

    Malone, C. M.; Woosley, S. E.; Dong, S.; Nonaka, A.; Almgren, A. S.; Bell, J. B.; Zingale, M.

    2014-02-10

    We present high-resolution, full-star simulations of the post-ignition phase of Type Ia supernovae using the compressible hydrodynamics code Castro. Initial conditions, including the turbulent velocity field and ignition site, are imported directly from a simulation of the last few hours of presupernova convection using a low Mach number code, Maestro. Adaptive mesh refinement allows the initial burning front to be modeled with an effective resolution of 36,864{sup 3} zones (136 m zone{sup –1}). The initial rise and expansion of the deflagration front are tracked until burning reaches the star's edge and the role of the background turbulence on the flame is investigated. The effect of artificially moving the ignition location closer to the star's center is explored. The degree to which turbulence affects the burning front decreases with increasing ignition radius since the buoyancy force is stronger at larger radii. Even central ignition—in the presence of a background convective flow field—is rapidly carried off-center as the flame is carried by the flow field. We compare our results to analytic models for burning thermals, and find that they reproduce the general trends of the bubble's size and mass, but underpredict the amount of buoyant acceleration due to simplifying assumptions of the bubble's properties. Overall, we find that the amount of mass that burns prior to flame break out is small, consistent with a gravitationally confined detonation' occurring at a later epoch, but additional burning will occur following breakout that may modify this conclusion.

  18. Three-dimensional simulations of pure deflagration models for thermonuclear supernovae

    SciTech Connect

    Long, Min; Jordan, George C. IV; Van Rossum, Daniel R.; Diemer, Benedikt; Graziani, Carlo; Kessler, Richard; Rich, Paul; Lamb, Don Q.; Meyer, Bradley

    2014-07-10

    We present a systematic study of the pure deflagration model of Type Ia supernovae (SNe Ia) using three-dimensional, high-resolution, full-star hydrodynamical simulations, nucleosynthetic yields calculated using Lagrangian tracer particles, and light curves calculated using radiation transport. We evaluate the simulations by comparing their predicted light curves with many observed SNe Ia using the SALT2 data-driven model and find that the simulations may correspond to under-luminous SNe Iax. We explore the effects of the initial conditions on our results by varying the number of randomly selected ignition points from 63 to 3500, and the radius of the centered sphere they are confined in from 128 to 384 km. We find that the rate of nuclear burning depends on the number of ignition points at early times, the density of ignition points at intermediate times, and the radius of the confining sphere at late times. The results depend primarily on the number of ignition points, but we do not expect this to be the case in general. The simulations with few ignition points release more nuclear energy E{sub nuc}, have larger kinetic energies E{sub K}, and produce more {sup 56}Ni than those with many ignition points, and differ in the distribution of {sup 56}Ni, Si, and C/O in the ejecta. For these reasons, the simulations with few ignition points exhibit higher peak B-band absolute magnitudes M{sub B} and light curves that rise and decline more quickly; their M{sub B} and light curves resemble those of under-luminous SNe Iax, while those for simulations with many ignition points are not.

  19. Modeling deflagration-to-detonation transition in granular explosive pentaerythritol tetranitrate

    NASA Astrophysics Data System (ADS)

    Sáenz, Juan A.; Stewart, D. Scott

    2008-08-01

    Based on an approach suggested by Stewart et al. [Phys. Fluids 6, 2515 (1994)] we develop a model to simulate deflagration-to-detonation transition (DDT) in pentaerythritol tetranitrate (PETN) powders. The model uses a continuum mechanics formulation of conservation laws for a mixture of solid reactants and gas products, written in terms of mixture quantities plus two independent variables used to account for exothermic conversion of solid reactants into gas products, and compaction associated with pore collapse and grain rearrangement. We propose a simple empirical dependence of the reaction rate on the initial bed compaction that allows us to calibrate the model for a wide range of initial conditions. For the solid reactants we use a wide-ranging equation of state (EOS) developed by Davis and co-workers in a series of papers [Proceedings of the Tenth International Symposium on Detonation, 1993, pp. 369-376; Explosive Effects and Applications (Springer, New York, 1998), Chap. 1, Combust. Flame 120, 399 (2000); Proceedings of the 12th International Symposium Detonation, San Diego, CA, 2002, pp. 624-631; . ONR 333-05-2; Proceedings of the Eighth Detonation Symposium, 1985, pp. 785-795; Proceedings of the 11th International Symposium on Detonation, 1998, pp. 303-308]. The EOS for powder uses the P-α model of Herrmann [J. Appl. Phys. 40, 2490 (1969)] and Carrol and Holt [J. Appl. Phys. 43, 759 (1972)]. To close the system, we suggest phenomenological closure relations, consistent with the limit of a compressible inert material and of a solid fully reactive material, such that the EOS can be posed only in terms of mixture quantities and the reaction and compaction variables. We demonstrate the model's ability to capture DDT in PETN powders by matching transients typically observed in experiments through simulation. We show that for flows calculated using nonideal EOSs and complex reaction kinetics such as those formulated in our model, it is possible to define a

  20. Fast Deflagration Waves.

    DTIC Science & Technology

    1980-07-01

    Fendell (1970) to finite Mach numbers, and uncovered the existence of very slow deflagration waves. JI.. -2- 2. The governing equations The governing...FlapmSI,$ Cambridge University Press. 2. Buckmaster, J. 1976. The quenching of deflagration vaves. Combust. Flme. 26, 151-162. 3. Bush, W.B. & Fendell , F.E

  1. Waste tank deflagration source generation mechanisms

    SciTech Connect

    Paddleford, D.F.; Thomas, J.K.

    1995-07-01

    This paper describes the models employed and analyses performed to estimate the source terms which would result from deflagrations in waste storage and processing tanks at the Savannah River Site (SRS). It should be noted that SRS waste tank deflagrations are very low probability events. The three main source generation mechanisms associated with waste tank deflagrations are: (1) entrainment from the liquid surface, (2) vaporization from the liquid surface, and (3) solids fire ignited as a result of the deflagration. The results of this work show that entrainment would be the dominant source term generation mode for cases where the liquid waste solution level is near the vent path. Vaporization would be the dominant mode for cases where the liquid level is lower. The maximum vaporization source term is approximately an order of magnitude less than that maximum entrainment source term. The source term associated with a solids fire would be insignificant in comparison.

  2. Extending atomistic scale chemistry to mesoscale model of condensed-phase deflagration

    NASA Astrophysics Data System (ADS)

    Joshi, Kaushik; Chaudhuri, Santanu

    2017-01-01

    Predictive simulations connecting chemistry that follow the shock or thermal initiation of energetic materials to subsequent deflagration or detonation events is currently outside the realm of possibilities. Molecular dynamics and first-principles based dynamics have made progress in understanding reactions in picosecond to nanosecond time scale. Results from thermal ignition of different phases of RDX show a complex reaction network and emergence of a deterministic behavior for critical temperature before ignition and hot spot growth rates. The kinetics observed is dependent on the hot spot temperature, system size and thermal conductivity. For cases where ignition is observed, the incubation period is dominated by intermolecular and intramolecular hydrogen transfer reactions. The gradual temperature and pressure increase in the incubation period is accompanied by accumulation of heavier polyradicals. The challenge of connecting such chemistry in mesoscale simulations remain in reducing the complexity of chemistry. The hot spot growth kinetics in RDX grains and interfaces is an important challenge for reactive simulations aiming to fill in the gaps in our knowledge in the nanoseconds to microseconds time scale. The results discussed indicate that the mesoscale chemistry may include large polyradical molecules in dense reactive mix reaching an instability point at certain temperatures and pressures.

  3. Thermonuclear supernovae: simulations of the deflagration stage and their implications.

    PubMed

    Gamezo, Vadim N; Khokhlov, Alexei M; Oran, Elaine S; Chtchelkanova, Almadena Y; Rosenberg, Robert O

    2003-01-03

    Large-scale, three-dimensional numerical simulations of the deflagration stage of a thermonuclear supernova explosion show the formation and evolution of a highly convoluted turbulent flame in the gravitational field of an expanding carbon-oxygen white dwarf. The flame dynamics are dominated by the gravity-induced Rayleigh-Taylor instability that controls the burning rate. The thermonuclear deflagration releases enough energy to produce a healthy explosion. The turbulent flame, however, leaves large amounts of unburned and partially burned material near the star center, whereas observations that imply these materials are present only in outer layers. This disagreement could be resolved if the deflagration triggers a detonation.

  4. Experiments and modelling of dynamic powder compaction in the scope of deflagration to detonation transition studies

    NASA Astrophysics Data System (ADS)

    Bodard, Sebastien; Lapebie, Emmanuel; Saurel, Richard; Daniel, Eric; Tosello, Robert; Lafontaine, Eric

    2015-06-01

    Understanding DDT in granular media is of prime interest for ammunition safety. However, the mechanisms involved are multiphasic, granular and multi-scale. To progress in DDT understanding it is thus necessary to focus on some mechanisms. As compaction plays a prominent role in DDT it is important to accurately model this phenomenon. In this communication, dynamic compaction of inert powder is studied to focus on the mechanical effects taking place in early stages of DDT. Both experimental and modelling aspects are considered. A novel experimental setup is designed to generate a dynamic 1D compaction. It consists in a container filled with powder and closed by a piston. A projectile launched with a gas gun impacts the piston rod to compress the powder. High-speed cameras with grain-scale resolution record the test. The velocity field is determined with image correlation. A multiphase compaction model (Saurel et al., 2010) has been implemented. Granular effects are taken into account with a granular equation of state, determined by quasi-static compaction. With additional features such as wall friction, good agreement between experiments and computations is found. The experimental apparatus is then used to study reactive powders. This work is supported by DGA.

  5. Deflagration transient study of the CIF incinerator

    SciTech Connect

    Hang, T.

    2000-01-03

    The Consolidated Incineration Facility (CIF) treats solid and liquid RCRA hazardous and mixed wastes generated at the Savannah River Site (SRS). The transient responses of the CIF system to a deflagration, caused by an accidental charge of a modest quantity of solvent (e.g. toluene) into the rotary kiln, were a major safety concern. Using a dynamic computer model, a study was conducted to analyze the transient system responses to the rapid temperature and pressure surge in the kiln. The objective of the study was to determined the maximum pressure, temperature, and gas flow rate in each CIF component (rotary kiln, secondary combustion chamber, quencher, scrubber/cyclone, mist eliminator, reheaters, HEPAs, and ID fans). The resulting data provided a basis for the subsequent structural analysis. This paper will describe the CIF deflagration study in some detail, and present the results of the simulation scenarios.

  6. PBXN-9 Ignition Kinetics and Deflagration Rates

    SciTech Connect

    Glascoe, E; Maienschein, J; Burnham, A; Koerner, J; Hsu, P; Wemhoff, A

    2008-04-24

    The ignition kinetics and deflagration rates of PBXN-9 were measured using specially designed instruments at LLNL and compared with previous work on similar HMX based materials. Ignition kinetics were measured based on the One Dimensional Time-to-Explosion combined with ALE3D modeling. Results of these experiments indicate that PBXN-9 behaves much like other HMX based materials (i.e. LX-04, LX-07, LX-10 and PBX-9501) and the dominant factor in these experiments is the type of explosive, not the type of binder/plasticizer. In contrast, the deflagration behavior of PBXN-9 is quite different from similar high weight percent HMX based materials (i.e LX-10, LX-07 and PBX-9501). PBXN-9 burns in a laminar manner over the full pressure range studied (0-310 MPa) unlike LX-10, LX-07, and PBX-9501. The difference in deflagration behavior is attributed to the nature of the binder/plasticizer alone or in conjunction with the volume of binder present in PBXN-9.

  7. Deflagration analysis of the ITP facility utilizing the MELCOR/SR code

    SciTech Connect

    Allison, D.K.; Chow, S.

    1993-07-01

    Under certain accident conditions, waste tanks in the In-Tank Processing (ITP) facility may contain significant concentrations of benzene and hydrogen. Because these gases are flammable, a safety analysis was required to demonstrate that the risk posed by the possible combustion of these gases is acceptable. In support of this analysis, the MELCOR/SR computer code was modified to simulate the combustion of benzene-hydrogen mixtures. MELCOR/SR was developed originally to analyze severe accidents that may occur in the SRS production reactors but many of its modules can be used also for non-reactor applications such as combustion and aerosol and radionuclide transport. The MELCOR/SR combustion model (package) was originally configured for the deflagration analysis of hydrogen-carbon monoxide mixtures. With minor changes to the coding in the combustion package subroutines, and the addition of benzene thermodynamic and transport properties to the input decks, MELCOR/SR was modified to analyze deflagrations in benzene-hydrogen gas mixtures. A MELCOR/SR model was created consisting of two control volumes connected by flow paths. One volume represents a type III waste tank; the other, the environment. The flow paths represent vents that open during the deflagration. Choked flow and radiative heat transfer from the hot gas to the cooling coils and tank walls are phenomonalogical aspects accounted for in the model. Results from MELCOR/SR compared favorably with results from two other codes: COMPACT, a code similar to MELCOR/SR used in the preliminary ITP analysis and DPAC, a code developed specifically to analyze deflagrations in SRS waste tanks. Peak pressures predicted by MELCOR/SR (and by DPAC) for realistic waste tank conditions do not exceed the pressure required to fail the primary line of the tank. ({approximately}23 psig)

  8. Role of deflagration in explosive response

    SciTech Connect

    Lee, E.L.; Weston, A.M.

    1988-06-20

    Measurements on materials of varying burn rates, particularly at high pressure, show a strong correlation with the violence of the response of thes materials to a range of hazard stimuli. We have analyzed the response using somewhat idealized model for deflagrating materials. The results can be compared with various tests for hazard reponse. We have studied confinement effects and chosen a particular confinement to quantify the explosive response. The effects of porosity, ignition behavior, and laminar burn rate are clearly revealed by the results of the model. Possibilities for formulating less vulnerable materials are discussed. 9 refs., 9 figs.

  9. EDC-37 Deflagration Rates at Elevated Pressures

    SciTech Connect

    Maienschein, J L; Koerner, J G

    2008-01-31

    We report deflagration rates on EDC-37 at high pressures. Experiments are conducted using the Lawrence Livermore National Laboratory High Pressure Strand Burner (HPSB) apparatus. The HPSB contains a deflagrating sample in a small volume, high pressure chamber. The sample consists of nine, 6.35 mm diameter, 6.35 mm length cylinders stacked on end, with burn wires placed between cylinders. Sample deflagration is limited to the cross-sectional surface of the cylinder by coating the cylindrical surface of the tower with Halthane 88-2 epoxy. Sample deflagration is initiated on one end of the tower by a B/KNO{sub 3} and HNS igniter train. Simultaneous temporal pressure history and burn front time of arrival measurements yield the laminar deflagration rate for a range of pressures and provide insight into deflagration uniformity. These measurements are one indicator of overall thermal explosion violence. Specific details of the experiment and the apparatus can be found in the literature.

  10. Small-scale deflagration cylinder test with velocimetry wall-motion diagnostics

    SciTech Connect

    Hooks, Daniel E; Hill, Larry G; Pierce, Timothy H

    2010-01-01

    Predicting the likelihood and effects of outcomes resultant from thermal initiation of explosives remains a significant challenge. For certain explosive formulations, the general outcome can be broadly predicted given knowledge of certain conditions. However, there remain unexplained violent events, and increased statistical understanding of outcomes as a function of many variables, or 'violence categorization,' is needed. Additionally, the development of an equation of state equivalent for deflagration would be very useful in predicting possible detailed event consequences using traditional hydrodynamic detonation moders. For violence categorization, it is desirable that testing be efficient, such that it is possible to statistically define outcomes reliant on the processes of initiation of deflagration, steady state deflagration, and deflagration to detonation transitions. If the test simultaneously acquires information to inform models of violent deflagration events, overall predictive capabilities for event likelihood and consequence might improve remarkably. In this paper we describe an economical scaled deflagration cylinder test. The cyclotetramethylene tetranitramine (HMX) based explosive formu1lation PBX 9501 was tested using different temperature profiles in a thick-walled copper cylindrical confiner. This test is a scaled version of a recently demonstrated deflagration cylinder test, and is similar to several other thermal explosion tests. The primary difference is the passive velocimetry diagnostic, which enables measurement of confinement vessel wall velocities at failure, regardless of the timing and location of ignition.

  11. Pyrotechnic deflagration velocity and permeability

    SciTech Connect

    Begeal, D R; Stanton, P L

    1982-01-01

    Particle size, porosity, and permeability of the reactive material have long been considered to be important factors in propellant burning rates and the deflagration-to-detonation transition in explosives. It is reasonable to assume that these same parameters will also affect the deflagration velocity of pyrotechnics. This report describes an experimental program that addresses the permeability of porous solids (particulate beds), in terms of particle size and porosity, and the relationship between permeability and the behavior of pyrotechnics and explosives. The experimental techniques used to acquire permeability data and to characterize the pyrotechnic burning are discussed. Preliminary data have been obtained on the burning characteristics of titanium hydride/potassium perchlorate (THKP) and boron/calcium chromate (BCCR). With THKP, the velocity of a pressure wave (from hot product gases) in the unburned region shows unsteady behavior which is related to the initial porosity or permeability. Simultaneous measurements with pressure gauges and ion gauges reveal that the pressure wave precedes the burn front. Steady burning of BCCR was observed with pressure gauge diagnostics and with a microwave interferometry technique.

  12. Asymmetric Type Ia Supernovae from Detonating Failed Deflagrations

    NASA Astrophysics Data System (ADS)

    Plewa, T.; Kasen, D.; Brown, E. F.

    2005-05-01

    Despite four decades of vigorous research and substantial progress made in studying thermonuclear supernovae, the origins and nature of these objects remain a mystery. From a modeler's point of view, Type Ia supernovae are one of the most demanding and complex supercomputer applications. The final stages of their lives involve the slow evolution under conditions close to a hydrostatic equilibrium followed by a strongly dynamical phase with the possible transition from a subsonic to supersonic mode of thermonuclear combustion. The explosion dynamics involve instabilities on scales from centimeters to hundreds of kilometers, and are accompanied by thermonuclear reactions releasing sufficient energy to unbind the white dwarf. Numerical models of thermonuclear supernovae must also include realistic initial conditions, an element that may prove crucial in our quest to explain the nature of those fascinating objects. We are presently studying the incineration of a massive white dwarf following the mild ignition of a thermonuclear flame close to the stellar center. In this scenario, the initial off-center deflagration only consumes a small amount of the stellar fuel and fails to unbind the star. This deflagration does, however, expand the stellar material and accelerates the outer layers of the white dwarf. These flows interact and then trigger a detonation. The overall evolution resembles that of the previously discussed gravitationally confined detonation model and shares many of its properties. The present numerical model features a revised energy delivery scheme resulting in a weaker deflagration, longer evolutionary timescales, and stronger preexpansion of the stellar material.

  13. LX-17 Deflagration at High Pressures and Temperatures

    SciTech Connect

    Koerner, J; Maienschein, J; Black, K; DeHaven, M; Wardell, J

    2006-10-23

    We measure the laminar deflagration rate of LX-17 (92.5 wt% TATB, 7.5 wt% Kel-F 800) at high pressure and temperature in a strand burner, thereby obtaining reaction rate data for prediction of thermal explosion violence. Simultaneous measurements of flame front time-of-arrival and temporal pressure history allow for the direct calculation of deflagration rate as a function of pressure. Additionally, deflagrating surface areas are calculated in order to provide quantitative insight into the dynamic surface structure during deflagration and its relationship to explosion violence. Deflagration rate data show that LX-17 burns in a smooth fashion at ambient temperature and is represented by the burn rate equation B = 0.2P{sup 0.9}. At 225 C, deflagration is more rapid and erratic. Dynamic deflagrating surface area calculations show that ambient temperature LX-17 deflagrating surface areas remain near unity over the pressure range studied.

  14. Deflagration to detonation experiments in granular HMX

    SciTech Connect

    Burnside, N.J.; Son, S.F.; Asay, B.W.; Dickson, P.M.

    1998-03-01

    In this paper the authors report on continuing work involving a series of deflagration-to-detonation transition (DDT) experiments in which they study the piston-initiated DDT of heavily confined granular cyclotetramethylenetetranitramine (HMX). These experiments were designed to he useful in model development and evaluation. A main focus of these experiments is the effect of density on the DDT event. Particle size distribution and morphology are carefully characterized. In this paper they present recent surface area analysis. Earlier studies demonstrated extensive fracturing and agglomeration in samples at densities as low as 75% TMD as evidenced by dramatic decreases in particle size distribution due to mild stimulus. This is qualitatively confirmed with SEM images and quantitatively studied with gas absorption surface area analysis. Also, in this paper they present initial results using a microwave interferometer technique. Dynamic calibration of the technique was performed, a 35 GHz signal is used to increase resolution, and the system has been designed to be inexpensive for repeated experiments. The distance to where deformation of the inner wall begins for various densities is reported. This result is compared with the microwave interferometer measurements.

  15. Strategies for understanding the deflagration-to-detonation transition

    SciTech Connect

    Asay, B.W.

    1992-05-01

    The deflagration-to-detonation (DDT) phenomenon has been studied for many years. However, no comprehensive model of the DDT process is available. It is important to understand the mechanism by which an explosive will detonate when the source of ignition is a weak shock or flame, and to able to predict this response. We have identified several key areas of the DDT problem which need to be understood before any such prediction can be made, and have established a modest program to obtain a more fundamental understanding of the behavior of explosive under the conditions that can lead to DDT.

  16. Strategies for understanding the deflagration-to-detonation transition

    SciTech Connect

    Asay, B.W.

    1992-01-01

    The deflagration-to-detonation (DDT) phenomenon has been studied for many years. However, no comprehensive model of the DDT process is available. It is important to understand the mechanism by which an explosive will detonate when the source of ignition is a weak shock or flame, and to able to predict this response. We have identified several key areas of the DDT problem which need to be understood before any such prediction can be made, and have established a modest program to obtain a more fundamental understanding of the behavior of explosive under the conditions that can lead to DDT.

  17. Modeling Carbon Exchange

    NASA Technical Reports Server (NTRS)

    Sellers, Piers

    2012-01-01

    Model results will be reviewed to assess different methods for bounding the terrestrial role in the global carbon cycle. It is proposed that a series of climate model runs could be scoped that would tighten the limits on the "missing sink" of terrestrial carbon and could also direct future satellite image analyses to search for its geographical location and understand its seasonal dynamics.

  18. Performance Impact of Deflagration to Detonation Transition Enhancing Obstacles

    NASA Technical Reports Server (NTRS)

    Paxson, Daniel E.; Schauer, Frederick; Hopper, David

    2012-01-01

    A sub-model is developed to account for the drag and heat transfer enhancement resulting from deflagration-to-detonation (DDT) inducing obstacles commonly used in pulse detonation engines (PDE). The sub-model is incorporated as a source term in a time-accurate, quasi-onedimensional, CFD-based PDE simulation. The simulation and sub-model are then validated through comparison with a particular experiment in which limited DDT obstacle parameters were varied. The simulation is then used to examine the relative contributions from drag and heat transfer to the reduced thrust which is observed. It is found that heat transfer is far more significant than aerodynamic drag in this particular experiment.

  19. Deflagration studies on waste Tank 101-SY: Test plan

    SciTech Connect

    Cashdollar, K.L.; Zlochower, I.A.; Hertzberg, M.

    1991-07-01

    Waste slurries produced during the recovery of plutonium and uranium from irradiated fuel are stored in underground storage tanks. While a variety of waste types have been generated, of particular concern are the wastes stored in Tank 101-SY. A slurry growth-gas evolution cycle has been observed since 1981. The waste consists of a thick slurry, consisting of a solution high in NaOH, NaNO{sub 3}, NaAlO{sub 2}, dissolved organic complexants (EDTA, HEDTA, NTA, and degradation products), other salts (sulfates and phosphates), and radionuclides (primarily cesium and strontium). During a gas release the major gaseous species identified include: hydrogen and nitrous oxide (N{sub 2}O). Significant amounts of nitrogen may also be present. Traces of ammonia, carbon oxides, and other nitrogen oxides are also detected. Air and water vapor are also present in the tank vapor space. The purpose of the deflagration study is to determine risks of the hydrogen, nitrous oxide, nitrogen, and oxygen system. To be determined are pressure and temperature as a function of composition of reacting gases and the concentration of gases before and after the combustion event. Analyses of gases after the combustion event will be restricted to those tests that had an initial concentration of {le}8% hydrogen. This information will be used to evaluate safety issues related to periodic slurry growth and flammable gas releases from Tank 101-SY. the conditions to be evaluated will simulate gases in the vapor space above the salt cake as well as gases that potentially are trapped in pockets within/under the waste. The deflagration study will relate experimental laboratory results to conditions in the existing tanks.

  20. Deflagration Behavior of PBX 9501 at Elevated Temperature and Pressure

    SciTech Connect

    Maienschein, J L; Koerner, J G

    2008-04-15

    We report the deflagration behavior of PBX 9501 at pressures up to 300 MPa and temperatures of 150-180 C where the sample has been held at the test temperature for several hours before ignition. The purpose is to determine the effect on the deflagration behavior of material damage caused by prolonged exposure to high temperature. This conditioning is similar to that experienced by an explosive while it being heated to eventual explosion. The results are made more complicated by the presence of a significant thermal gradient along the sample during the temperature ramp and soak. Three major conclusions are: the presence of nitroplasticizer makes PBX 9501 more thermally sensitive than LX-04 with an inert Viton binder; the deflagration behavior of PBX 9501 is more extreme and more inconsistent than that of LX-04; and something in PBX 9501 causes thermal damage to 'heal' as the deflagration proceeds, resulting in a decelerating deflagration front as it travels along the sample.

  1. Do electron-capture supernovae make neutron stars?. First multidimensional hydrodynamic simulations of the oxygen deflagration

    NASA Astrophysics Data System (ADS)

    Jones, S.; Röpke, F. K.; Pakmor, R.; Seitenzahl, I. R.; Ohlmann, S. T.; Edelmann, P. V. F.

    2016-09-01

    Context. In the classical picture, electron-capture supernovae and the accretion-induced collapse of oxygen-neon white dwarfs undergo an oxygen deflagration phase before gravitational collapse produces a neutron star. These types of core collapse events are postulated to explain several astronomical phenomena. In this work, the oxygen deflagration phase is simulated for the first time using multidimensional hydrodynamics. Aims: By simulating the oxygen deflagration with multidimensional hydrodynamics and a level-set-based flame approach, new insights can be gained into the explosive deaths of 8-10 M⊙ stars and oxygen-neon white dwarfs that accrete material from a binary companion star. The main aim is to determine whether these events are thermonuclear or core-collapse supernova explosions, and hence whether neutron stars are formed by such phenomena. Methods: The oxygen deflagration is simulated in oxygen-neon cores with three different central ignition densities. The intermediate density case is perhaps the most realistic, being based on recent nuclear physics calculations and 1D stellar models. The 3D hydrodynamic simulations presented in this work begin from a centrally confined flame structure using a level-set-based flame approach and are performed in 2563 and 5123 numerical resolutions. Results: In the simulations with intermediate and low ignition density, the cores do not appear to collapse into neutron stars. Instead, almost a solar mass of material becomes unbound from the cores, leaving bound remnants. These simulations represent the case in which semiconvective mixing during the electron-capture phase preceding the deflagration is inefficient. The masses of the bound remnants double when Coulomb corrections are included in the equation of state, however they still do not exceed the effective Chandrasekhar mass and, hence, would not collapse into neutron stars. The simulations with the highest ignition density (log 10ρc = 10.3), representing the case

  2. Investigations on deflagration to detonation transition in porous energetic materials. Final report

    SciTech Connect

    Stewart, D.S.

    1999-07-01

    The research carried out by this contract was part of a larger effort funded by LANL in the areas of deflagration to detonation in porous energetic materials (DDT) and detonation shock dynamics in high explosives (DSD). In the first three years of the contract the major focus was on DDT. However, some researchers were carried out on DSD theory and numerical implementation. In the last two years the principal focus of the contract was on DSD theory and numerical implementation. However, during the second period some work was also carried out on DDT. The paper discusses DDT modeling and DSD modeling. Abstracts are included on the following topics: modeling deflagration to detonation; DSD theory; DSD wave front tracking; and DSD program burn implementation.

  3. Deflagration-to-Detonation in HMX-Based Propellants

    DTIC Science & Technology

    1982-03-01

    AFOSR-TR- 82-0 67,3 DEFLAGRATION-TO- DETONATION ., IN HMX-BASED PROPELLANTS Final Report Covering the Period January 1, 1977 to November 1, 1981 March...NUMBER AI STR- 8,9.0f)7 3L4 1-1/~/ _ _ _ _ 4. TTLE and ubtile)S. TYPE OF REPORT A PERIOD COVE IED Final Report - January 1, DEFLAGRATION-TO- DETONATION IN...necessary and Identify by block number) The objective of the research was to develop the capability of assessinj the deflagration-to- detonation transistion

  4. Self-similar blast waves incorporating deflagrations of variable speed

    NASA Technical Reports Server (NTRS)

    Guirguis, R. H.; Kamel, M. M.; Oppenheim, A. K.

    1983-01-01

    The present investigation is concerned with the development of a systematic approach to the problem of self-similar blast waves incorporating nonsteady flames. The regime covered by the presented solutions is bounded on one side by an adiabatic strong explosion and, on the other, by deflagration propagating at an infinite acceleration. Results for a representative set of accelerations are displayed, taking into account the full range of propagation speeds from zero to velocities corresponding to the Chapman-Jouguet deflagration. It is found that the distribution of stored energy in the undisturbed medium determines the acceleration of the deflagration-shock wave system. The obtained results reveal the existence of a simple relation between the location of the deflagration and its Mach number.

  5. Characterization of deflagrating munitions by rotating prism high speed photography

    NASA Astrophysics Data System (ADS)

    Kinsey, Trevor J.; Bussell, Tim J.; Chick, Michael C.

    1992-08-01

    We report on the use of a rotating prism high speed camera for determining the characteristics of a munition undergoing rapid deflagration in field experiments. The technique has been applied to study the controlled deflagration of Composition B filled 105 mm shell and 81 mm mortar bombs as representative thick and thin cased munitions respectively; however the report is mostly illustrated with results from the study on 105 mm shell. The deflagration event has been characterized in terms of case expansion rate, initial fragment velocity, time to case burst, time to reaction from the nose end and the deflagration rate of the filling. Products escaping from the fracturing case eventually obscured the image which limited the extent of the measurement.

  6. Magneto-hydrodynamics simulation study of deflagration mode in co-axial plasma accelerators

    NASA Astrophysics Data System (ADS)

    Sitaraman, Hariswaran; Raja, Laxminarayan L.

    2014-01-01

    Experimental studies by Poehlmann et al. [Phys. Plasmas 17(12), 123508 (2010)] on a coaxial electrode magnetohydrodynamic (MHD) plasma accelerator have revealed two modes of operation. A deflagration or stationary mode is observed for lower power settings, while higher input power leads to a detonation or snowplow mode. A numerical modeling study of a coaxial plasma accelerator using the non-ideal MHD equations is presented. The effect of plasma conductivity on the axial distribution of radial current is studied and found to agree well with experiments. Lower conductivities lead to the formation of a high current density, stationary region close to the inlet/breech, which is a characteristic of the deflagration mode, while a propagating current sheet like feature is observed at higher conductivities, similar to the detonation mode. Results confirm that plasma resistivity, which determines magnetic field diffusion effects, is fundamentally responsible for the two modes.

  7. Magneto-hydrodynamics simulation study of deflagration mode in co-axial plasma accelerators

    SciTech Connect

    Sitaraman, Hariswaran; Raja, Laxminarayan L.

    2014-01-15

    Experimental studies by Poehlmann et al. [Phys. Plasmas 17(12), 123508 (2010)] on a coaxial electrode magnetohydrodynamic (MHD) plasma accelerator have revealed two modes of operation. A deflagration or stationary mode is observed for lower power settings, while higher input power leads to a detonation or snowplow mode. A numerical modeling study of a coaxial plasma accelerator using the non-ideal MHD equations is presented. The effect of plasma conductivity on the axial distribution of radial current is studied and found to agree well with experiments. Lower conductivities lead to the formation of a high current density, stationary region close to the inlet/breech, which is a characteristic of the deflagration mode, while a propagating current sheet like feature is observed at higher conductivities, similar to the detonation mode. Results confirm that plasma resistivity, which determines magnetic field diffusion effects, is fundamentally responsible for the two modes.

  8. Effects of two-phase flow on the deflagration of porous energetic materials

    SciTech Connect

    Margolis, S.B.; Williams, F.A.

    1994-07-01

    Theoretical analyses are developed for the multi-phase deflagration of porous energetic solids, such as degraded nitramine propellants, that experience significant gas flow in the solid preheat region and are characterized by the presence of exothermic reactions in a bubbling melt layer at their surfaces. Relative motion between the gas and condensed phases is taken into account in both regions, and expressions for the mass burning rate and other quantities of interest, such as temperature and volume-fraction profiles, are derived by activation-energy asymptotics. The model extends recent work by allowing for gas flow in the unburned solid, and by incorporating pressure effects through the gas-phase equation of state. As a consequence, it is demonstrated how most aspects of the deflagration wave, including its structure, propagation speed and final temperature, depend on the local pressure in the two-phase regions.

  9. Ultrafast Chemistry under Nonequilibrium Conditions and the Shock to Deflagration Transition at the Nanoscale

    SciTech Connect

    Wood, Mitchell A.; Cherukara, Mathew J.; Kober, Edward M.; Strachan, Alejandro

    2015-06-13

    We use molecular dynamics simulations to describe the chemical reactions following shock-induced collapse of cylindrical pores in the high-energy density material RDX. For shocks with particle velocities of 2 km/s we find that the collapse of a 40 nm diameter pore leads to a deflagration wave. Molecular collisions during the collapse lead to ultrafast, multistep chemical reactions that occur under nonequilibrium conditions. WE found that exothermic products formed during these first few picoseconds prevent the nanoscale hotspot from quenching. Within 30 ps, a local deflagration wave develops. It propagates at 0.25 km/s and consists of an ultrathin reaction zone of only ~5 nm, thus involving large temperature and composition gradients. Contrary to the assumptions in current models, a static thermal hotspot matching the dynamical one in size and thermodynamic conditions fails to produce a deflagration wave indicating the importance of nonequilibrium loading in the criticality of nanoscale hot spots. These results provide insight into the initiation of reactive decomposition.

  10. Ultrafast Chemistry under Nonequilibrium Conditions and the Shock to Deflagration Transition at the Nanoscale

    DOE PAGES

    Wood, Mitchell A.; Cherukara, Mathew J.; Kober, Edward M.; ...

    2015-06-13

    We use molecular dynamics simulations to describe the chemical reactions following shock-induced collapse of cylindrical pores in the high-energy density material RDX. For shocks with particle velocities of 2 km/s we find that the collapse of a 40 nm diameter pore leads to a deflagration wave. Molecular collisions during the collapse lead to ultrafast, multistep chemical reactions that occur under nonequilibrium conditions. WE found that exothermic products formed during these first few picoseconds prevent the nanoscale hotspot from quenching. Within 30 ps, a local deflagration wave develops. It propagates at 0.25 km/s and consists of an ultrathin reaction zone ofmore » only ~5 nm, thus involving large temperature and composition gradients. Contrary to the assumptions in current models, a static thermal hotspot matching the dynamical one in size and thermodynamic conditions fails to produce a deflagration wave indicating the importance of nonequilibrium loading in the criticality of nanoscale hot spots. These results provide insight into the initiation of reactive decomposition.« less

  11. Pre-ignition confinement and deflagration violence in LX-10 and PBX 9501

    SciTech Connect

    Tringe, J. W. Glascoe, E. A.; McClelland, M. A.; Greenwood, D.; Chambers, R. D.; Springer, H. K.; Levie, H. W.

    2014-08-07

    In thermal explosions of the nitramine octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX)-based explosives LX-10 and PBX-9501, the pre-ignition spatial and temporal heating profile defines the ignition location. The ignition location then determines the extent of inertial confinement and the violence of the resulting deflagration. In this work, we present results of experiments in which ∼23 g cylinders of LX-10 and PBX 9501 in thin-walled aluminum confinement vessels were subjected to identical heating profiles but which presented starkly different energy release signatures. Post-explosion LX-10 containment vessels were completely fragmented, while the PBX 9501 vessels were merely ruptured. Flash x-ray radiography images show that the initiation location for the LX-10 is a few mm farther from the end caps of the vessel relative to the initiation location of PBX 9501. This difference increases deflagration confinement for LX-10 at the time of ignition and extends the pressurization time during which the deflagration front propagates in the explosive. The variation in the initiation location, in turn, is determined by the thermal boundary conditions, which differ for these two explosives because of the larger coefficient of thermal expansion and greater thermal stability of the Viton binder in LX-10 relative to the estane and bis(2,2-dinitropropyl) acetal/formal binder of the PBX 9501. The thermal profile and initiation location were modeled for LX-10 using the hydrodynamics and structures code ALE3D; results indicate temperatures in the vicinity of the ignition location in excess of 274 °C near the time of ignition. The conductive burn rates for these two explosives, as determined by flash x-ray radiography, are comparable in the range 0.1–0.2 mm/μs, somewhat faster than rates observed by strand burner experiments for explosives in the temperature range 150–180 °C and pressures up to 100 MPa. The thinnest-wall aluminum containment vessels

  12. Neutrinos from type Ia supernovae: The deflagration-to-detonation transition scenario

    DOE PAGES

    Wright, Warren P.; Nagaraj, Gautam; Kneller, James P.; ...

    2016-07-19

    It has long been recognized that the neutrinos detected from the next core-collapse supernova in the Galaxy have the potential to reveal important information about the dynamics of the explosion and the nucleosynthesis conditions as well as allowing us to probe the properties of the neutrino itself. The neutrinos emitted from thermonuclear—type Ia—supernovae also possess the same potential, although these supernovae are dimmer neutrino sources. For the first time, we calculate the time, energy, line of sight, and neutrino-flavor-dependent features of the neutrino signal expected from a three-dimensional delayed-detonation explosion simulation, where a deflagration-to-detonation transition triggers the complete disruption ofmore » a near-Chandrasekhar mass carbon-oxygen white dwarf. We also calculate the neutrino flavor evolution along eight lines of sight through the simulation as a function of time and energy using an exact three-flavor transformation code. We identify a characteristic spectral peak at ˜10 MeV as a signature of electron captures on copper. This peak is a potentially distinguishing feature of explosion models since it reflects the nucleosynthesis conditions early in the explosion. We simulate the event rates in the Super-K, Hyper-K, JUNO, and DUNE neutrino detectors with the SNOwGLoBES event rate calculation software and also compute the IceCube signal. Hyper-K will be able to detect neutrinos from our model out to a distance of ˜10 kpc. Here, at 1 kpc, JUNO, Super-K, and DUNE would register a few events while IceCube and Hyper-K would register several tens of events.« less

  13. Neutrinos from type Ia supernovae: The deflagration-to-detonation transition scenario

    SciTech Connect

    Wright, Warren P.; Nagaraj, Gautam; Kneller, James P.; Scholberg, Kate; Seitenzahl, Ivo R.

    2016-07-19

    It has long been recognized that the neutrinos detected from the next core-collapse supernova in the Galaxy have the potential to reveal important information about the dynamics of the explosion and the nucleosynthesis conditions as well as allowing us to probe the properties of the neutrino itself. The neutrinos emitted from thermonuclear—type Ia—supernovae also possess the same potential, although these supernovae are dimmer neutrino sources. For the first time, we calculate the time, energy, line of sight, and neutrino-flavor-dependent features of the neutrino signal expected from a three-dimensional delayed-detonation explosion simulation, where a deflagration-to-detonation transition triggers the complete disruption of a near-Chandrasekhar mass carbon-oxygen white dwarf. We also calculate the neutrino flavor evolution along eight lines of sight through the simulation as a function of time and energy using an exact three-flavor transformation code. We identify a characteristic spectral peak at ˜10 MeV as a signature of electron captures on copper. This peak is a potentially distinguishing feature of explosion models since it reflects the nucleosynthesis conditions early in the explosion. We simulate the event rates in the Super-K, Hyper-K, JUNO, and DUNE neutrino detectors with the SNOwGLoBES event rate calculation software and also compute the IceCube signal. Hyper-K will be able to detect neutrinos from our model out to a distance of ˜10 kpc. Here, at 1 kpc, JUNO, Super-K, and DUNE would register a few events while IceCube and Hyper-K would register several tens of events.

  14. Neutrinos from type Ia supernovae: The deflagration-to-detonation transition scenario

    NASA Astrophysics Data System (ADS)

    Wright, Warren P.; Nagaraj, Gautam; Kneller, James P.; Scholberg, Kate; Seitenzahl, Ivo R.

    2016-07-01

    It has long been recognized that the neutrinos detected from the next core-collapse supernova in the Galaxy have the potential to reveal important information about the dynamics of the explosion and the nucleosynthesis conditions as well as allowing us to probe the properties of the neutrino itself. The neutrinos emitted from thermonuclear—type Ia—supernovae also possess the same potential, although these supernovae are dimmer neutrino sources. For the first time, we calculate the time, energy, line of sight, and neutrino-flavor-dependent features of the neutrino signal expected from a three-dimensional delayed-detonation explosion simulation, where a deflagration-to-detonation transition triggers the complete disruption of a near-Chandrasekhar mass carbon-oxygen white dwarf. We also calculate the neutrino flavor evolution along eight lines of sight through the simulation as a function of time and energy using an exact three-flavor transformation code. We identify a characteristic spectral peak at ˜10 MeV as a signature of electron captures on copper. This peak is a potentially distinguishing feature of explosion models since it reflects the nucleosynthesis conditions early in the explosion. We simulate the event rates in the Super-K, Hyper-K, JUNO, and DUNE neutrino detectors with the SNOwGLoBES event rate calculation software and also compute the IceCube signal. Hyper-K will be able to detect neutrinos from our model out to a distance of ˜10 kpc . At 1 kpc, JUNO, Super-K, and DUNE would register a few events while IceCube and Hyper-K would register several tens of events.

  15. Simulations of flame acceleration and deflagration-to-detonation transitions in methane-air systems

    SciTech Connect

    Kessler, D.A.; Gamezo, V.N.; Oran, E.S.

    2010-11-15

    Flame acceleration and deflagration-to-detonation transitions (DDT) in large obstructed channels filled with a stoichiometric methane-air mixture are simulated using a single-step reaction mechanism. The reaction parameters are calibrated using known velocities and length scales of laminar flames and detonations. Calculations of the flame dynamics and DDT in channels with obstacles are compared to previously reported experimental data. The results obtained using the simple reaction model qualitatively, and in many cases, quantitatively match the experiments and are found to be largely insensitive to small variations in model parameters. (author)

  16. Stochastic modeling of carbon oxidation

    SciTech Connect

    Chen, W.Y,; Kulkarni, A.; Milum, J.L.; Fan, L.T.

    1999-12-01

    Recent studies of carbon oxidation by scanning tunneling microscopy indicate that measured rates of carbon oxidation can be affected by randomly distributed defects in the carbon structure, which vary in size. Nevertheless, the impact of this observation on the analysis or modeling of the oxidation rate has not been critically assessed. This work focuses on the stochastic analysis of the dynamics of carbon clusters' conversions during the oxidation of a carbon sheet. According to the classic model of Nagle and Strickland-Constable (NSC), two classes of carbon clusters are involved in three types of reactions: gasification of basal-carbon clusters, gasification of edge-carbon clusters, and conversion of the edge-carbon clusters to the basal-carbon clusters due to the thermal annealing. To accommodate the dilution of basal clusters, however, the NSC model is modified for the later stage of oxidation in this work. Master equations governing the numbers of three classes of carbon clusters, basal, edge and gasified, are formulated from stochastic population balance. The stochastic pathways of three different classes of carbon during oxidation, that is, their means and the fluctuations around these means, have been numerically simulated independently by the algorithm derived from the master equations, as well as by an event-driven Monte Carlo algorithm. Both algorithms have given rise to identical results.

  17. Steady Deflagration of PBX-9501 Within a Copper Cylinder

    SciTech Connect

    Pemberton, Steven J.; Herrera, Dennis H.; Herrera, Tommy J.; Arellano, Jesus C.; Sandoval, Thomas D.

    2012-06-26

    A copper cylinder cook-off experiment has been designed to cause steady deflagration in PBX-9501 explosive material. The design is documented and preliminary copper expansion results are presented for steady deflagration with a reaction speed of 1092 +/- 24 m/s. The expansion of reaction products from the detonation of an explosive is something that is well understood, and reasonably simulated using documented equations of state (EOS) for many explosives of interest. These EOS were historically measured using a 'standard' copper cylinder test design; this design comprised an annealed, oxygen-free high conductivity (OFHC) copper tube filled with explosive material and detonated from one end. Expansion of the copper wall was measured as a function of time using either a streak camera (for classic testing), or more recently using laser velocimetry techniques. Expansion data were then used to derive the EOS in various preferred forms - which are not discussed here for the sake of brevity. [Catanach, et. al., 1999] When an explosive deflagrates rather than detonating, simulation becomes more difficult. Reaction products are released on a slower time scale, and the reactions are much more affected by the geometry and local temperature within the reaction environment. It is assumed that the standard, documented EOS will no longer apply. In an effort to establish a first order approximation of deflagration product behavior, a cook-off test has been designed to cause steady deflagration in PBX-9501 explosive material, and to record the copper expansion profile as a function of time during this test. The purpose of the current paper is to document the initial test design and report some preliminary results. A proposal for modification of the design is also presented.

  18. Deflagration of HMX-Based Explosives at High Temperatures and Pressures

    SciTech Connect

    Maienschein, J L; Wardell, J F; DeHaven, M R; Black, C K

    2004-05-12

    We measure the deflagration behavior of energetic materials at extreme conditions (up to 520K and 1 GPa) in the LLNL High Pressure Strand Burner, thereby obtaining reaction rate data for prediction of violence of thermal explosions. The apparatus provides both temporal pressure history and flame time-of-arrival information during deflagration, allowing direct calculation of deflagration rate as a function of pressure. Samples may be heated before testing. Here we report the deflagration behavior of several HMX-based explosives at pressures of 10-600 MPa and temperatures of 300-460 K. We find that formulation details are very important to overall deflagration behavior. Formulations with high binder content (>15 wt%) deflagrate smoothly over the entire pressure range regardless of particle size, with a larger particle size distribution leading to a slower reaction. The deflagration follows a power law function with the pressure exponent being unity. Formulations with lower binder content ({le} 10% or less by weight) show physical deconsolidation at pressures over 100-200 MPA, with transition to a rapid erratic deflagration 10-100 times faster. High temperatures have a relatively minor effect on the deflagration rate until the HMX {beta} {yields} {delta} phase transition occurs, after which the deflagration rate increases by more than a factor of 10.

  19. Simple ocean carbon cycle models

    SciTech Connect

    Caldeira, K.; Hoffert, M.I.; Siegenthaler, U.

    1994-02-01

    Simple ocean carbon cycle models can be used to calculate the rate at which the oceans are likely to absorb CO{sub 2} from the atmosphere. For problems involving steady-state ocean circulation, well calibrated ocean models produce results that are very similar to results obtained using general circulation models. Hence, simple ocean carbon cycle models may be appropriate for use in studies in which the time or expense of running large scale general circulation models would be prohibitive. Simple ocean models have the advantage of being based on a small number of explicit assumptions. The simplicity of these ocean models facilitates the understanding of model results.

  20. NUCLEOSYNTHESIS IN TWO-DIMENSIONAL DELAYED DETONATION MODELS OF TYPE Ia SUPERNOVA EXPLOSIONS

    SciTech Connect

    Maeda, K.; Roepke, F.K.; Fink, M.; Hillebrandt, W.; Travaglio, C.; Thielemann, F.-K.

    2010-03-20

    For the explosion mechanism of Type Ia supernovae (SNe Ia), different scenarios have been suggested. In these, the propagation of the burning front through the exploding white dwarf (WD) star proceeds in different modes, and consequently imprints of the explosion model on the nucleosynthetic yields can be expected. The nucleosynthetic characteristics of various explosion mechanisms are explored based on three two-dimensional explosion simulations representing extreme cases: a pure turbulent deflagration, a delayed detonation following an approximately spherical ignition of the initial deflagration, and a delayed detonation arising from a highly asymmetric deflagration ignition. Apart from this initial condition, the deflagration stage is treated in a parameter-free approach. The detonation is initiated when the turbulent burning enters the distributed burning regime. This occurs at densities around 10{sup 7} g cm{sup -3}-relatively low as compared to existing nucleosynthesis studies for one-dimensional spherically symmetric models. The burning in these multidimensional models is different from that in one-dimensional simulations as the detonation wave propagates both into unburned material in the high-density region near the center of a WD and into the low-density region near the surface. Thus, the resulting yield is a mixture of different explosive burning products, from carbon-burning products at low densities to complete silicon-burning products at the highest densities, as well as electron-capture products synthesized at the deflagration stage. Detailed calculations of the nucleosynthesis in all three models are presented. In contrast to the deflagration model, the delayed detonations produce a characteristic layered structure and the yields largely satisfy constraints from Galactic chemical evolution. In the asymmetric delayed detonation model, the region filled with electron capture species (e.g., {sup 58}Ni, {sup 54}Fe) is within a shell, showing a large off

  1. [Forest carbon cycle model: a review].

    PubMed

    Wang, Ping

    2009-06-01

    Forest carbon cycle is one of the important items in the research of terrestrial carbon cycle, while carbon cycle model is an important means in studying the carbon cycle mechanisms of forest ecosystem and in estimating carbon fluxes. Based on the sum-up of main carbon cycle models, this paper classified the forest carbon cycle models into two categories, i.e., patch scale forest carbon cycle models and regional scale terrestrial carbon cycle models, with their features commented. The future development trend in the research of forest carbon cycle models in China was discussed.

  2. Turbulent Deflagrated Flame Interaction with a Fluidic Jet Flow for Deflagration-to-Detonation Flame Acceleration

    NASA Astrophysics Data System (ADS)

    Chambers, Jessica; McGarry, Joseph; Ahmed, Kareem

    2015-11-01

    Detonation is a high energetic mode of pressure gain combustion. Detonation combustion exploits the pressure rise to augment high flow momentum and thermodynamic cycle efficiencies. The driving mechanism of deflagrated flame acceleration to detonation is turbulence generation and induction. A fluidic jet is an innovative method for the production of turbulence intensities and flame acceleration. Compared to traditional obstacles, the jet reduces the pressure losses and heat soak effects while providing turbulence generation control. The investigation characterizes the turbulent flame-flow interactions. The focus of the study is on classifying the turbulent flame dynamics and the temporal evolution of turbulent flame regime. The turbulent flame-flow interactions are experimentally studied using a LEGO Detonation facility. Advanced high-speed laser diagnostics, particle image velocimetry (PIV), planar laser induced florescence (PLIF), and Schlieren imaging are used in analyzing the physics of the interaction and flame acceleration. Higher turbulence induction is observed within the turbulent flame after contact with the jet, leading to increased flame burning rates. The interaction with the fluidic jet results in turbulent flame transition from the thin reaction zones to the broken reaction regime.

  3. Deflagration Rate Measurements of Three Insensitive High Explosives: LLM-105, TATB, and DAAF

    SciTech Connect

    Glascoe, E A; Maienschein, J L; Lorenz, K T; Tan, N; Koerner, J G

    2010-03-08

    The pressure dependent deflagration rates of LLM-105, DAAF and TATB based formulations were measured in the LLNL high pressure strand burner. The role of binder amount, explosive type, and thermal damage and their effects on the deflagration rate will be discussed. One DAAF formulation, two different formulations of LLM-105, and four formulations of TATB were studied; results indicate that binder amount and type play a minor role in the deflagration behavior. This is in sharp contrast to the HMX based formulations which strongly depend on binder amount and type. The effect of preheating these samples was considerably more dramatic. In the case of LLM-105, preheating the sample appears to have little effect on the deflagration rate. In contrast, preheating DAAF and TATB formulations causes the deflagration rate to accelerate. The thermal and mechanical properties of these formulations will be discussed in the context of their pressure and temperature dependent deflagration rates.

  4. Deflagration-to-Detonation Transition Control by Nanosecond Gas Discharges

    DTIC Science & Technology

    2008-04-07

    Report 3. DATES COVERED (From – To) 1 April 2007 - 18 August 09 4. TITLE AND SUBTITLE Deflagration-To- Detonation Transition Control By Nanosecond...SUPPLEMENTARY NOTES 14. ABSTRACT During the current project, an extensive experimental study of detonation initiation by high{voltage...nanosecond gas discharges has been performed in a smooth detonation tube with different discharge chambers and various discharge cell numbers. The chambers

  5. The Role of Binder in Deflagrating HMX-based Explosives

    NASA Astrophysics Data System (ADS)

    Tringe, J. W.; Levie, H. W.; Glascoe, E. A.; Greenwood, D. W.; de Haven, M. R.; Molitoris, J. D.; Springer, H. K.

    2011-06-01

    Deflagration rates are known to be a strong function of temperature and pressure, but chemical reactions facilitated by the explosive's binder can also play an important role. Here we report a study of two HMX-based formulations, PBX-9501 (HMX 95%, estane 2.5%, bdnpa 1.25%, and bdnpf 1.25%) and LX-10 (HMX 95%, Viton-A 5%), which we use to investigate the origins of violence in thermal explosions. We employ flash x-ray radiography to directly image the rates at which reaction fronts proceed in a confined vessel. Photonic Doppler velocimetry (PDV) characterizes the vessel wall motion as a function of time. Our results show that thermal explosions of PBX-9501, with its more reactive binder, are more violent than explosions of LX-10. In LX-10, we observe quenched deflagration and limited violence. In PBX-9501, however, a higher deflagration rate is developed and sustained even after vessel rupture. Thermal explosions of initially-confined PBX-9501 therefore are more complete and significantly more violent. This work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

  6. Control of quantum magnetic deflagration in Mn12 acetate.

    NASA Astrophysics Data System (ADS)

    Hernandez-Minguez, Alberto; Hernandez, Joan Manel; Macia, Ferran; Garcia-Santiago, Antonio; Tejada, Javier; Santos, Paulo

    2006-03-01

    Magnetic avalanches in Mn12-ac involve spin tunneling through an energy barrier which is controlled by the applied magnetic field. The reversal proceeds through the propagation of a narrow magnetic reversal front at constant velocity through the crystal [1]. In this contribution, we demonstrate that the ignition of the deflagration can be controlled in a deterministic way using surface acoustic waves (SAWs). For that purpose, the Mn12 crystal was mounted on the surface of a piezoelectric LiNbO3 substrate containing an interdigital transducer (IDT) for the excitation of SAWs. In the super-paramagnetic regime (above 3 K), the Mn12 magnetization shows pronounced changes when the IDT is excited at its resonant frequencies, thus proving that the crystals can be used as very sensitive acoustic detectors. At low temperatures (below 3 K), both the ignition rate and the velocity of the deflagration front present peaks for the values of the magnetic fields that bring the spin levels on both sides of the tunneling barrier into resonance, thus demonstrating the occurrence of both quantum magnetic ignition and quantum magnetic deflagration [2]. [1] Y. Suzuki et. al., Phys. Rev. Lett. 95, 147201 (2005). [2] A. Hern'andez-M'inguez et. al., Phys. Rev. Lett. 95, 217205 (2005).

  7. Presupernova models and supernovae

    NASA Technical Reports Server (NTRS)

    Sugimoto, D.; Nomoto, K.

    1980-01-01

    The present status of theories of presupernova stellar evolution and the triggering mechanisms of supernova explosions are reviewed. The validity of the single-star approximation for stellar core evolution is considered, and the central density and temperature of the stellar core are discussed. Attention is then given to the results of numerical models of supernova explosions by carbon deflagration of an intermediate mass star, resulting in the total disruption of the star; the photodissociation of iron nuclei in a massive star, resulting in neutron star or black hole formation; and stellar core collapse triggered by electron capture in stars of mass ranging between those of the intermediate mass and massive stars, resulting in neutron star formation despite oxygen deflagration. Helium and carbon combustion and detonation in accreting white dwarfs and the gravitational collapse triggered by electron-pair creation in supermassive stars are also discussed, and problems requiring future investigation are indicated.

  8. Deflagration-to-detonation transition in gases in tubes with cavities

    NASA Astrophysics Data System (ADS)

    Smirnov, N. N.; Nikitin, V. F.; Phylippov, Yu. G.

    2010-12-01

    DDT control in gaseous fuel-air mixtures became very acute. This paper contains results of theoretical and experimental investigations of DDT processes in combustible gaseous mixtures. In particular, the paper investigates the effect of cavities incorporated in detonation tubes at the onset of detonation in gases. Extensive numerical modeling and simulations allowed studying the features of deflagration-to-detonation transition in gases in tubes incorporating cavities of a wider cross section. The presence of cavities substantially affects the combustion modes being established in the device and their dependence on the governing parameters of the problem. The influence of geometrical characteristics of the confinement and flow turbulization on the onset of detonation and the influence of temperature and fuel concentration in the unburned mixture are discussed. It was demonstrated both experimentally and theoretically that the presence of cavities of wider cross section in the ignition part of the tube promotes DDT and shortens the predetonation length. At the same time, cavities incorporated along the whole length or in the far-end section inhibit detonation and bring about the onset of low-velocity galloping detonation or galloping combustion modes. The presence of cavities in the ignition section turns an increase in the initial mixture temperature into a DDT-promoting factor instead of a DDT-inhibiting factor.

  9. Modelling Sublimation of Carbon Dioxide

    ERIC Educational Resources Information Center

    Winkel, Brian

    2012-01-01

    In this article, the author reports results in their efforts to model sublimation of carbon dioxide and the associated kinetics order and parameter estimation issues in their model. They have offered the reader two sets of data and several approaches to determine the rate of sublimation of a piece of solid dry ice. They presented several models…

  10. Multiphase magnetic deflagrations in a Nd5Ge3 single crystal

    NASA Astrophysics Data System (ADS)

    Villuendas, D.; Vélez, S.; Tsutaoka, T.; Hernàndez, J. M.

    2017-02-01

    We report magnetic deflagration phenomena ocurring in both antiferromagnetic and ferromagnetic phases in a single crystal of the intermetallic compound Nd5Ge3. We have investigated, using a trigger heat pulse, the spatial and time-resolved evolution of induced magnetic avalanches as a function of the applied magnetic field. The experimental data fit well with the theory of magnetic deflagration.

  11. Quantum ignition of deflagration in the Fe8 molecular magnet

    NASA Astrophysics Data System (ADS)

    Leviant, Tom; Keren, Amit; Zeldov, Eli; Myasoedov, Yuri

    2014-10-01

    We report spatially resolved, time-dependent, magnetization reversal measurements of an Fe8 single molecular magnet using a microscopic Hall bar array. We found that a deflagration process, where molecules reverse their spin direction along a moving front, can be ignited quantum mechanically (T →0) at a resonance field, with no phonon pulse. The avalanche front velocity is of the order of 1m/s and is sensitive to field gradients and sweep rates. We also measured the thermal diffusivity κ in Fe8. This allows us to estimate the "flame" temperature.

  12. Deflagration-to-detonation transition project. Quarterly report, December 1979-February 1980

    SciTech Connect

    Lieberman, M.L.

    1980-09-01

    Progress in a project on deflagration-to-detonation transition (DDT) is reported. The activities of this project pertain primarily to the development of small, safe, low-voltage, hot-wire detonators. Its major goals are: the formulation of a modeling capability for DDT of the explosive 2-(5-cyanotetrazolato)pentaamminecobalt (III) perchlorate (CP); the development of improved DDT materials; the establishment of a data base for corrosion, compatibility, and reliability of CP-loaded detonators; and the design and development of advanced DDT components. Information is included on materials development, component development, and compatibility studies encompassing the thermal and chemical stability of CP in contact with the component materials. (LCL)

  13. Potential VOC Deflagrations in a Vented TRU Drum

    SciTech Connect

    Mukesh, GUPTA

    2005-04-07

    The objective of the analysis is to examine the potential for lid ejection from a vented transuranic (TRU) waste drum due to pressure buildup caused by the deflagration of hydrogen and volatile organic compounds (VOCs) inside the drum. In this analysis, the AICC pressure for a stoichiometric mixture of VOCs is calculated and then compared against the experimental peak pressure of stoichiometric combustion of propane and hexane in a combustion chamber. The experimental peak pressures of propane and hexane are about 12 percent lower than the calculated AICC pressure. Additional losses in the drum are calculated due to venting of the gases, drum bulging, waste compaction, and heat losses from the presence of waste in the drum. After accounting for these losses, the final pressures are compared to the minimum observed pressure that ejects the lid from a TRU drum. The ejection pressure of 105 psig is derived from data that was recorded for a series of tests where hydrogen-air mixtures were ignited inside sealed TRU drums. Since the calculated pressures are below the minimum lid ejection pressure, none of the VOCs and the hydrogen (up to 4 percent) mixtures present in the TRU waste drum is expected to cause lid ejection if ignited. The analysis of potential VOC deflagrations in a vented TRU drum can be applied across the DOE-Complex since TRU waste is stored in drums throughout the complex.

  14. Evaluating systematic dependencies of type Ia supernovae : the influence of deflagration to detonation density.

    SciTech Connect

    Jackson, A. P.; Calder, A. C.; Townsley, D. M.; Chamulak, D. A.; Brown, E. F.; Timmes, F. X.

    2010-09-01

    We explore the effects of the deflagration to detonation transition (DDT) density on the production of {sup 56}Ni in thermonuclear supernova (SN) explosions (Type Ia supernovae). Within the DDT paradigm, the transition density sets the amount of expansion during the deflagration phase of the explosion and therefore the amount of nuclear statistical equilibrium (NSE) material produced. We employ a theoretical framework for a well-controlled statistical study of two-dimensional simulations of thermonuclear SNe with randomized initial conditions that can, with a particular choice of transition density, produce a similar average and range of {sup 56}Ni masses to those inferred from observations. Within this framework, we utilize a more realistic 'simmered' white dwarf progenitor model with a flame model and energetics scheme to calculate the amount of {sup 56}Ni and NSE material synthesized for a suite of simulated explosions in which the transition density is varied in the range (1-3) x 10{sup 7} g cm{sup -3}. We find a quadratic dependence of the NSE yield on the log of the transition density, which is determined by the competition between plume rise and stellar expansion. By considering the effect of metallicity on the transition density, we find the NSE yield decreases by 0.055 {+-} 0.004 M {circle_dot} for a 1 Z {circle_dot} increase in metallicity evaluated about solar metallicity. For the same change in metallicity, this result translates to a 0.067 {+-} 0.004 M {circle_dot} decrease in the {sup 56}Ni yield, slightly stronger than that due to the variation in electron fraction from the initial composition. Observations testing the dependence of the yield on metallicity remain somewhat ambiguous, but the dependence we find is comparable to that inferred from some studies.

  15. EVALUATING SYSTEMATIC DEPENDENCIES OF TYPE Ia SUPERNOVAE: THE INFLUENCE OF DEFLAGRATION TO DETONATION DENSITY

    SciTech Connect

    Jackson, Aaron P.; Calder, Alan C.; Townsley, Dean M.; Chamulak, David A.; Brown, Edward F.; Timmes, F. X.

    2010-09-01

    We explore the effects of the deflagration to detonation transition (DDT) density on the production of {sup 56}Ni in thermonuclear supernova (SN) explosions (Type Ia supernovae). Within the DDT paradigm, the transition density sets the amount of expansion during the deflagration phase of the explosion and therefore the amount of nuclear statistical equilibrium (NSE) material produced. We employ a theoretical framework for a well-controlled statistical study of two-dimensional simulations of thermonuclear SNe with randomized initial conditions that can, with a particular choice of transition density, produce a similar average and range of {sup 56}Ni masses to those inferred from observations. Within this framework, we utilize a more realistic 'simmered' white dwarf progenitor model with a flame model and energetics scheme to calculate the amount of {sup 56}Ni and NSE material synthesized for a suite of simulated explosions in which the transition density is varied in the range (1-3) x10{sup 7} g cm{sup -3}. We find a quadratic dependence of the NSE yield on the log of the transition density, which is determined by the competition between plume rise and stellar expansion. By considering the effect of metallicity on the transition density, we find the NSE yield decreases by 0.055 {+-} 0.004 M {sub sun} for a 1 Z{sub sun} increase in metallicity evaluated about solar metallicity. For the same change in metallicity, this result translates to a 0.067 {+-} 0.004 M{sub sun} decrease in the {sup 56}Ni yield, slightly stronger than that due to the variation in electron fraction from the initial composition. Observations testing the dependence of the yield on metallicity remain somewhat ambiguous, but the dependence we find is comparable to that inferred from some studies.

  16. Evaluating Systematic Dependencies of Type Ia Supernovae: The Influence of Deflagration to Detonation Density

    NASA Astrophysics Data System (ADS)

    Jackson, Aaron P.; Calder, Alan C.; Townsley, Dean M.; Chamulak, David A.; Brown, Edward F.; Timmes, F. X.

    2010-09-01

    We explore the effects of the deflagration to detonation transition (DDT) density on the production of 56Ni in thermonuclear supernova (SN) explosions (Type Ia supernovae). Within the DDT paradigm, the transition density sets the amount of expansion during the deflagration phase of the explosion and therefore the amount of nuclear statistical equilibrium (NSE) material produced. We employ a theoretical framework for a well-controlled statistical study of two-dimensional simulations of thermonuclear SNe with randomized initial conditions that can, with a particular choice of transition density, produce a similar average and range of 56Ni masses to those inferred from observations. Within this framework, we utilize a more realistic "simmered" white dwarf progenitor model with a flame model and energetics scheme to calculate the amount of 56Ni and NSE material synthesized for a suite of simulated explosions in which the transition density is varied in the range (1-3) ×107 g cm-3. We find a quadratic dependence of the NSE yield on the log of the transition density, which is determined by the competition between plume rise and stellar expansion. By considering the effect of metallicity on the transition density, we find the NSE yield decreases by 0.055 ± 0.004 M sun for a 1 Z sun increase in metallicity evaluated about solar metallicity. For the same change in metallicity, this result translates to a 0.067 ± 0.004 M sun decrease in the 56Ni yield, slightly stronger than that due to the variation in electron fraction from the initial composition. Observations testing the dependence of the yield on metallicity remain somewhat ambiguous, but the dependence we find is comparable to that inferred from some studies.

  17. Four simple ocean carbon models

    NASA Technical Reports Server (NTRS)

    Moore, Berrien, III

    1992-01-01

    This paper briefly reviews the key processes that determine oceanic CO2 uptake and sets this description within the context of four simple ocean carbon models. These models capture, in varying degrees, these key processes and establish a clear foundation for more realistic models that incorporate more directly the underlying physics and biology of the ocean rather than relying on simple parametric schemes. The purpose of this paper is more pedagogical than purely scientific. The problems encountered by current attempts to understand the global carbon cycle not only require our efforts but set a demand for a new generation of scientist, and it is hoped that this paper and the text in which it appears will help in this development.

  18. 'Tertiary' nuclear burning - Neutron star deflagration?

    NASA Technical Reports Server (NTRS)

    Michel, F. Curtis

    1988-01-01

    A motivation is presented for the idea that dense nuclear matter can burn to a new class of stable particles. One of several possibilities is an 'octet' particle which is the 16 baryon extension of alpha particle, but now composed of a pair of each of the two nucleons, (3Sigma, Delta, and 2Xi). Such 'tertiary' nuclear burning (here 'primary' is H-He and 'secondary' is He-Fe) may lead to neutron star explosions rather than collapse to a black hole, analogous to some Type I supernovae models wherein accreting white dwarfs are pushed over the Chandrasekhar mass limit but explode rather than collapse to form neutron stars. Such explosions could possibly give gamma-ray bursts and power quasars, with efficient particle acceleration in the resultant relativistic shocks. The new stable particles themselves could possibly be the sought-after weakly interacting, massive particles (WIMPs) or 'dark' matter.

  19. Measurement and ALE3D Simulation of Violence in a Deflagration Experiment With LX-10 and Aermet-100 Alloy

    SciTech Connect

    Knap, J; McClelland, M A; Maienschein, J L; Howard, W M; Nichols, A L; deHaven, M R; Strand, O T

    2006-06-22

    We describe the results of a Scaled-Thermal-Explosion-eXperiment (STEX) for LX-10 (94.7 % HMX, 5.3 % Viton A) confined in an AerMet 100 (iron-cobalt-nickel alloy) tube with reinforced end caps. The experimental measurements are compared with predictions of an Arbitrary-Lagrangian-Eulerian (ALE3D) computer model. ALE3D is a three-dimensional multi-physics computer code capable of solving coupled equations describing thermal, mechanical and chemical behavior of materials. In particular, we focus on the processes linked to fracture and fragmentation of the AerMet tube driven by the LX-10 deflagration.

  20. A toy terrestrial carbon flow model

    NASA Technical Reports Server (NTRS)

    Parton, William J.; Running, Steven W.; Walker, Brian

    1992-01-01

    A generalized carbon flow model for the major terrestrial ecosystems of the world is reported. The model is a simplification of the Century model and the Forest-Biogeochemical model. Topics covered include plant production, decomposition and nutrient cycling, biomes, the utility of the carbon flow model for predicting carbon dynamics under global change, and possible applications to state-and-transition models and environmentally driven global vegetation models.

  1. Multiscale Modeling with Carbon Nanotubes

    SciTech Connect

    Maiti, A

    2006-02-21

    Technologically important nanomaterials come in all shapes and sizes. They can range from small molecules to complex composites and mixtures. Depending upon the spatial dimensions of the system and properties under investigation computer modeling of such materials can range from equilibrium and nonequilibrium Quantum Mechanics, to force-field-based Molecular Mechanics and kinetic Monte Carlo, to Mesoscale simulation of evolving morphology, to Finite-Element computation of physical properties. This brief review illustrates some of the above modeling techniques through a number of recent applications with carbon nanotubes: nano electromechanical sensors (NEMS), chemical sensors, metal-nanotube contacts, and polymer-nanotube composites.

  2. The Physics of Deflagration-to-Detonation Transition in Type Ia Supernovae

    NASA Astrophysics Data System (ADS)

    Poludnenko, Alexei

    BACKGROUND: The scenario currently best capable of explaining the observational properties of normal bright type Ia supernovae (SNIa), which are of primary importance for cosmology, is the delayed detonation model of the explosion of a white dwarf star with the mass near the Chandrasekhar limit in a single-degenerate binary system. In this model, the explosion starts as a subsonic deflagration that later transitions to a supersonic detonation (deflagration-to-detonation transition, or DDT). Significant progress has been made over the years both experimentally and numerically in elucidating the physics of DDT in terrestrial confined systems. It remains unclear, however, whether and how a detonation can be formed in an unpressurized, unconfined system such as the interior of a WD. Modern large-scale multidimensional models of SNIa cannot capture the DDT process and, thus, are forced to make two crucial assumptions, namely (a) that DDT does occur at some point, and (b) when and where it occurs. As a result, delayed detonation is a parameterized model that must be "tuned" in order to obtain the proper match with the observations. This substantially hinders the possibility of investigating potential sources of systematic errors in the calibration of normal bright SNIa as standard candles. Recently we have carried out a systematic study of the high-speed turbulence-flame interaction through first-principles direct numerical simulations (DNS) using reaction models similar to those describing terrestrial chemical flames. Our analysis has shown that at sufficiently high turbulent intensities, subsonic turbulent flames in unconfined environments, such as the WD interior, are indeed inherently susceptible to DDT. The associated mechanism is based on the unsteady evolution of turbulent flames faster than the Chapman-Jouguet deflagrations. This process is qualitatively different from the traditional spontaneous reaction wave model and does not require the formation of

  3. High-speed OH-PLIF imaging of deflagration-to-detonation transition in H2-air mixtures

    NASA Astrophysics Data System (ADS)

    Boeck, Lorenz R.; Mével, Rémy; Fiala, Thomas; Hasslberger, Josef; Sattelmayer, Thomas

    2016-06-01

    Planar laser-induced fluorescence (PLIF) is considered a standard experimental technique in combustion diagnostics. However, it has only been occasionally applied to explosion experiments with fast combustion regimes. It has been shown that single-shot OH-PLIF with high pulse energies yields clear fluorescence images of fast deflagrations and also detonations. This paper presents the first application of high-speed OH-PLIF at 20 kHz repetition rate to a deflagration-to-detonation transition experiment. Hydrogen-air mixtures at initial atmospheric pressure and ambient temperature are investigated. Satisfactory results are obtained for flame speeds up to about 500 m/s. Flame instabilities and turbulence-flame interactions are observed. Two factors limit the applicability of HS OH-PLIF toward higher flame speeds: excessive flame luminescence masking the HS OH-PLIF signal and strong absorption of laser light by the flame. The variation in OH-PLIF signal-to-background ratio across a DDT process is studied using a 1D laminar premixed flame simulation extended by spectroscopic models.

  4. Carbon dioxide dangers demonstration model

    USGS Publications Warehouse

    Venezky, Dina; Wessells, Stephen

    2010-01-01

    Carbon dioxide is a dangerous volcanic gas. When carbon dioxide seeps from the ground, it normally mixes with the air and dissipates rapidly. However, because carbon dioxide gas is heavier than air, it can collect in snowbanks, depressions, and poorly ventilated enclosures posing a potential danger to people and other living things. In this experiment we show how carbon dioxide gas displaces oxygen as it collects in low-lying areas. When carbon dioxide, created by mixing vinegar and baking soda, is added to a bowl with candles of different heights, the flames are extinguished as if by magic.

  5. Deflagration-to-detonation transition in granular HMX

    NASA Technical Reports Server (NTRS)

    Campbell, A. W.

    1980-01-01

    Granular HMX of three degrees of fineness was packed into heavy-walled steel tubes closed at both ends. Ignition was obtained at one end using an intimate mixture of finely divided titanium and boron as an igniter that produced heat with little gas. The distance to detonation was determined by examination of the resulting tube fragments. By inserting tightly-fitted neoprene diaphragms periodically into the HMX column, it was shown that the role of convective combustion was limited to the initial stage of the deflagration to detonation (DDT) process. Experiments in which various combinations of two of the three types of HMX were loaded into the same tube showed that heating by adiabatic shear of explosive grains was an essential factor in the final buildup to detonation. A description of the DDT process is developed in which conductive burning is followed in turn by convective burning, bed collapse with plug formation, onset of accelerated burning at the front of the plug through heating by intercrystalline friction and adiabatic shear, and intense shock formation resulting in high-order detonation.

  6. A Tracer Method for Computing Type Ia Supernova Yields: Burning Model Calibration, Reconstruction of Thickened Flames, and Verification for Planar Detonations

    NASA Astrophysics Data System (ADS)

    Townsley, Dean M.; Miles, Broxton J.; Timmes, F. X.; Calder, Alan C.; Brown, Edward F.

    2016-07-01

    We refine our previously introduced parameterized model for explosive carbon-oxygen fusion during thermonuclear Type Ia supernovae (SNe Ia) by adding corrections to post-processing of recorded Lagrangian fluid-element histories to obtain more accurate isotopic yields. Deflagration and detonation products are verified for propagation in a medium of uniform density. A new method is introduced for reconstructing the temperature-density history within the artificially thick model deflagration front. We obtain better than 5% consistency between the electron capture computed by the burning model and yields from post-processing. For detonations, we compare to a benchmark calculation of the structure of driven steady-state planar detonations performed with a large nuclear reaction network and error-controlled integration. We verify that, for steady-state planar detonations down to a density of 5 × 106 g cm-3, our post-processing matches the major abundances in the benchmark solution typically to better than 10% for times greater than 0.01 s after the passage of the shock front. As a test case to demonstrate the method, presented here with post-processing for the first time, we perform a two-dimensional simulation of a SN Ia in the scenario of a Chandrasekhar-mass deflagration-detonation transition (DDT). We find that reconstruction of deflagration tracks leads to slightly more complete silicon burning than without reconstruction. The resulting abundance structure of the ejecta is consistent with inferences from spectroscopic studies of observed SNe Ia. We confirm the absence of a central region of stable Fe-group material for the multi-dimensional DDT scenario. Detailed isotopic yields are tabulated and change only modestly when using deflagration reconstruction.

  7. Carbon export algorithm advancements in models

    NASA Astrophysics Data System (ADS)

    Çağlar Yumruktepe, Veli; Salihoğlu, Barış

    2015-04-01

    The rate at which anthropogenic CO2 is absorbed by the oceans remains a critical question under investigation by climate researchers. Construction of a complete carbon budget, requires better understanding of air-sea exchanges and the processes controlling the vertical and horizontal transport of carbon in the ocean, particularly the biological carbon pump. Improved parameterization of carbon sequestration within ecosystem models is vital to better understand and predict changes in the global carbon cycle. Due to the complexity of processes controlling particle aggregation, sinking and decomposition, existing ecosystem models necessarily parameterize carbon sequestration using simple algorithms. Development of improved algorithms describing carbon export and sequestration, suitable for inclusion in numerical models is an ongoing work. Existing unique algorithms used in the state-of-the art ecosystem models and new experimental results obtained from mesocosm experiments and open ocean observations have been inserted into a common 1D pelagic ecosystem model for testing purposes. The model was implemented to the timeseries stations in the North Atlantic (BATS, PAP and ESTOC) and were evaluated with datasets of carbon export. Targetted topics of algorithms were PFT functional types, grazing and vertical movement of zooplankton, and remineralization, aggregation and ballasting dynamics of organic matter. Ultimately it is intended to feed improved algorithms to the 3D modelling community, for inclusion in coupled numerical models.

  8. A Thermal Model for Carbon Nanotube Interconnects

    PubMed Central

    Mohsin, Kaji Muhammad; Srivastava, Ashok; Sharma, Ashwani K.; Mayberry, Clay

    2013-01-01

    In this work, we have studied Joule heating in carbon nanotube based very large scale integration (VLSI) interconnects and incorporated Joule heating influenced scattering in our previously developed current transport model. The theoretical model explains breakdown in carbon nanotube resistance which limits the current density. We have also studied scattering parameters of carbon nanotube (CNT) interconnects and compared with the earlier work. For 1 µm length single-wall carbon nanotube, 3 dB frequency in S12 parameter reduces to ~120 GHz from 1 THz considering Joule heating. It has been found that bias voltage has little effect on scattering parameters, while length has very strong effect on scattering parameters.

  9. On the mechanism of the deflagration-to-detonation transition in a hydrogen-oxygen mixture

    SciTech Connect

    Liberman, M. A.; Ivanov, M. F.; Kiverin, A. D.; Kuznetsov, M. S.; Rakhimova, T. V.; Chukalovskii, A. A.

    2010-10-15

    The flame acceleration and the physical mechanism underlying the deflagration-to-detonation transition (DDT) have been studied experimentally, theoretically, and using a two-dimensional gasdynamic model for a hydrogen-oxygen gas mixture by taking into account the chain chemical reaction kinetics for eight components. A flame accelerating in a tube is shown to generate shock waves that are formed directly at the flame front just before DDT occurred, producing a layer of compressed gas adjacent to the flame front. A mixture with a density higher than that of the initial gas enters the flame front, is heated, and enters into reaction. As a result, a high-amplitude pressure peak is formed at the flame front. An increase in pressure and density at the leading edge of the flame front accelerates the chemical reaction, causing amplification of the compression wave and an exponentially rapid growth of the pressure peak, which 'drags' the flame behind. A high-amplitude compression wave produces a strong shock immediately ahead of the reaction zone, generating a detonation wave. The theory and numerical simulations of the flame acceleration and the new physical mechanism of DDT are in complete agreement with the experimentally observed flame acceleration, shock formation, and DDT in a hydrogen-oxygen gas mixture.

  10. Deflagration-to-detonation transition project: quarterly report for the period September through November 1979

    SciTech Connect

    Lieberman, M. L.

    1980-07-01

    The activities of the Sandia Laboratories project on deflagration-to-detonation transition (DDT) pertain primarily to the development of small, safe, low-voltage, hot-wire detonators. Its major goals are: the formulation of a modeling capability for DDT of the explosive 2-(5-cyanotetrazolato)pentaamminecobalt(III) perchlorate (CP); the development of improved DDT materials; the establishment of a data base for corrosion, compatibility, and reliability of CP-loaded detonators; and the design and development of advanced DDT components. Progress in this research is reported. The planned development of the MC3423 detonator has been completed and the final design review meeting has been held. Additional work must be performed to establish satisfactory output function. Ignition sensitivity data have also been obtained. Ignition and shock testing experiments for development of the MC3533 detonator have been planned. An initial version of the component will utilize available MC3423 headers, while the final design will incorporate a new header that has been designed and ordered. Detonator performance studies have been planned to optimize CP density-length factors. Feasibility studies on the MC3196A detonator have continued in an effort to obtain a reliable 50-200 ..mu..s function time.

  11. The Peculiar SN 2005hk: Do Some Type Ia Supernovae Explode As Deflagrations?

    SciTech Connect

    Phillips, M.M.; Li, W.; Frieman, J.A.; Blinnikov, S.I.; DePoy, D.; Prieto, J.L.; Milne, P.; Contreras, C.; Folatelli, Gaston; Morrell, N.; Hamuy, M.; Suntzeff, N.B.; Roth, M.; Gonzalez, S.; Krzeminski, W.; Filippenko, A.V.; Freedman, W.L.; Chornock, R.; Jha, S.; Madore, B.F.; Persson, S.E.; /Las Campanas Observ. /UC, Berkeley, Astron. Dept. /Chicago U., Astron. Astrophys. Ctr. /KICP, Chicago /Fermilab /Moscow, ITEP /Garching, Max Planck Inst. /Ohio State U., Dept. Astron. /Arizona U., Astron. Dept. - Steward Observ. /Chile U., Santiago /Texas A-M /Carnegie Inst. Observ. /KIPAC, Menlo Park /Caltech, IPAC /Notre Dame U. /South African Astron. Observ. /Cape Town U. /Washington U., Seattle, Astron. Dept. /New Mexico State U. /Chicago U., FLASH /Baltimore, Space Telescope Sci.

    2006-11-14

    We present extensive u{prime}g{prime}r{prime}i{prime} BV RIY JHK{sub s} photometry and optical spectroscopy of SN 2005hk. These data reveal that SN 2005hk was nearly identical in its observed properties to SN 2002cx, which has been called 'the most peculiar known type Ia supernova'. Both supernovae exhibited high ionization SN 1991T-like pre-maximum spectra, yet low peak luminosities like SN 1991bg. The spectra reveal that SN 2005hk, like SN 2002cx, exhibited expansion velocities that were roughly half those of typical type Ia supernovae. The R and I light curves of both supernovae were also peculiar in not displaying the secondary maximum observed for normal type Ia supernovae. Our Y JH photometry of SN 2005hk reveals the same peculiarity in the near-infrared. By combining our optical and near-infrared photometry of SN 2005hk with published ultraviolet light curves obtained with the Swift satellite, we are able to construct a bolometric light curve from {approx} 10 days before to {approx}60 days after B maximum. The shape and unusually low peak luminosity of this light curve, plus the low expansion velocities and absence of a secondary maximum at red and near-infrared wavelengths, are all in reasonable agreement with model calculations of a 3D deflagration which produces {approx} 0.25 M{sub {circle_dot}} of {sup 56}Ni.

  12. Plasma-assisted ignition and deflagration-to-detonation transition.

    PubMed

    Starikovskiy, Andrey; Aleksandrov, Nickolay; Rakitin, Aleksandr

    2012-02-13

    Non-equilibrium plasma demonstrates great potential to control ultra-lean, ultra-fast, low-temperature flames and to become an extremely promising technology for a wide range of applications, including aviation gas turbine engines, piston engines, RAMjets, SCRAMjets and detonation initiation for pulsed detonation engines. The analysis of discharge processes shows that the discharge energy can be deposited into the desired internal degrees of freedom of molecules when varying the reduced electric field, E/n, at which the discharge is maintained. The amount of deposited energy is controlled by other discharge and gas parameters, including electric pulse duration, discharge current, gas number density, gas temperature, etc. As a rule, the dominant mechanism of the effect of non-equilibrium plasma on ignition and combustion is associated with the generation of active particles in the discharge plasma. For plasma-assisted ignition and combustion in mixtures containing air, the most promising active species are O atoms and, to a smaller extent, some other neutral atoms and radicals. These active particles are efficiently produced in high-voltage, nanosecond, pulse discharges owing to electron-impact dissociation of molecules and electron-impact excitation of N(2) electronic states, followed by collisional quenching of these states to dissociate the molecules. Mechanisms of deflagration-to-detonation transition (DDT) initiation by non-equilibrium plasma were analysed. For longitudinal discharges with a high power density in a plasma channel, two fast DDT mechanisms have been observed. When initiated by a spark or a transient discharge, the mixture ignited simultaneously over the volume of the discharge channel, producing a shock wave with a Mach number greater than 2 and a flame. A gradient mechanism of DDT similar to that proposed by Zeldovich has been observed experimentally under streamer initiation.

  13. Structural modeling of amorphous conducting carbon film

    NASA Astrophysics Data System (ADS)

    Bhattacharyya, Somnath; Pati, Swapan K.; Subramanyam, S. V.

    1998-04-01

    Amorphous conducting carbon films are prepared using plasma assisted polymerization process. SEM and TEM shows random aggregate of globular clusters of micron size inside the samples. Electrical measurements indicate a near metallic nature. A tendency of saturation of resistivity at low temperature is observed. From spectroscopic analysis we find some unusual features. Based on these observations a structural model of this carbon is proposed.

  14. A statistical model of carbon/carbon composite failure

    NASA Technical Reports Server (NTRS)

    Slattery, Kerry T.

    1991-01-01

    A failure model which considers the stochastic nature of the damage accumulation process is essential to assess reliability and to accurately scale the results from standard test specimens to composite structures. A superior filamentary composite for high temperature applications is composed of carbon fibers in a carbon matrix. Carbon-carbon composites are the strongest known material at very high temperatures. Since there appears to be a significant randomness in C-C material strength which cannot be controlled or detected with current technology, a better model of the material failure based upon statistical principles should be used. Simple applications of the model based upon the limited data provide encouraging results that indicate that better design of test specimens would provide a substantially higher prediction for the design strength of C-C composites. An A-basis strength for the C-C tensile rings from a first stage D-5 billets was estimated. A statistical failure model was developed for these rings which indicates that this strength may be very conservative for larger C-C parts. The analysis may be improved by use of a heterogeneous/noncontinuum finite element approach on the minimechanical level.

  15. Carbon cycle modeling calculations for the IPCC

    SciTech Connect

    Wuebbles, D.J.; Jain, A.K.

    1993-08-12

    We carried out essentially all the carbon cycle modeling calculations that were required by the IPCC Working Group 1. Specifically, IPCC required two types of calculations, namely, ``inverse calculations`` (input was CO{sub 2} concentrations and the output was CO{sub 2} emissions), and the ``forward calculations`` (input was CO{sub 2} emissions and output was CO{sub 2} concentrations). In particular, we have derived carbon dioxide concentrations and/or emissions for several scenarios using our coupled climate-carbon cycle modelling system.

  16. Temperature effects on failure thickness and deflagration-to-detonation transition in PBX 9502 and TATB

    SciTech Connect

    Asay, B.W.; McAfee, J.B.

    1993-04-01

    The deflagration-to-detonation (DDT) behavior of TATB has been investigated at high temperatures and severe confinement. comparison is made to other common explosives under similar confinement. TATB did not DDT under these conditions. The failure thickness of PBX 9502 at 250{degrees}C has also been determined. Two mm appears to be the limiting value at this temperature.

  17. Temperature effects on failure thickness and deflagration-to-detonation transition in PBX 9502 and TATB

    SciTech Connect

    Asay, B.W.; McAfee, J.B.

    1993-01-01

    The deflagration-to-detonation (DDT) behavior of TATB has been investigated at high temperatures and severe confinement. comparison is made to other common explosives under similar confinement. TATB did not DDT under these conditions. The failure thickness of PBX 9502 at 250[degrees]C has also been determined. Two mm appears to be the limiting value at this temperature.

  18. Critical deflagration waves leading to detonation onset under different boundary conditions

    NASA Astrophysics Data System (ADS)

    Lin, Wei; Zhou, Jin; Fan, Xiao-Hua; Lin, Zhi-Yong

    2015-01-01

    High-speed turbulent critical deflagration waves before detonation onset in H2-air mixture propagated into a square cross section channel, which was assembled of optional rigid rough, rigid smooth, or flexible walls. The corresponding propagation characteristic and the influence of the wall boundaries on the propagation were investigated via high-speed shadowgraph and a high-frequency pressure sampling system. As a comprehensive supplement to the different walls effect investigation, the effect of porous absorbing walls on the detonation propagation was also investigated via smoke foils and the high-frequency pressure sampling system. Results are as follows. In the critical deflagration stage, the leading shock and the closely following turbulent flame front travel at a speed of nearly half the CJ detonation velocity. In the preheated zone, a zonary flame arises from the overlapping part of the boundary layer and the pressure waves, and then merges into the mainstream flame. Among these wall boundary conditions, the rigid rough wall plays a most positive role in the formation of the zonary flame and thus accelerates the transition of the deflagration to detonation (DDT), which is due to the boost of the boundary layer growth and the pressure wave reflection. Even though the flexible wall is not conducive to the pressure wave reflection, it brings out a faster boundary layer growth, which plays a more significant role in the zonary flame formation. Additionally, the porous absorbing wall absorbs the transverse wave and yields detonation decay and velocity deficit. After the absorbing wall, below some low initial pressure conditions, no re-initiation occurs and the deflagration propagates in critical deflagration for a relatively long distance. Project supported by the National Natural Science Foundation of China (Grant No. 51206182).

  19. Processing, characterization and modeling of carbon nanofiber modified carbon/carbon composites

    NASA Astrophysics Data System (ADS)

    Samalot Rivera, Francis J.

    Carbon/Carbon (C/C) composites are used in high temperature applications because they exhibit excellent thermomechanical properties. There are several challenges associated with the processing of C/C composites that include long cycle times, formation of closed porosity within fabric woven architecture and carbonization induced cracks that can lead to reduction of mechanical properties. This work addresses various innovative approaches to reduce processing uncertainties and thereby improve thermomechanical properties of C/C by using vapor grown carbon nanofibers (VGCNFs) in conjunction with carbon fabric and precursor phenolic matrix. The different aspects of the proposed research contribute to understanding of the translation of VGCNFs properties in a C/C composite. The specific objectives of the research are; (a) To understand the mechanical properties and microstructural features of phenolic resin precursor with and without modification with VGCNFs; (b) To develop innovative processing concepts that incorporate VGCNFs by spraying them on carbon fabric and/or adding VGCNFs to the phenolic resin precursor; and characterizing the process induced thermal and mechanical properties; and (c) To develop a finite element model to evaluate the thermal stresses developed in the carbonization of carbon/phenolic with and without VGCNFs. Addition of VGCNFs to phenolic resin enhanced the thermal and physical properties in terms of flexure and interlaminar properties, storage modulus and glass transition temperature and lowered the coefficient of thermal expansion. The approaches of spraying VGCNFs on the fabric surface and mixing VGCNFs with the phenolic resin was found to be effective in enhancing mechanical and thermal properties of the resulting C/C composites. Fiber bridging, improved carbon yield and minimization of carbonization-induced damage were the benefits of incorporating VGCNFs in C/C composites. Carbonization induced matrix cracking predicted by the finite

  20. Two dimensional numerical prediction of deflagration-to-detonation transition in porous energetic materials.

    PubMed

    Narin, B; Ozyörük, Y; Ulas, A

    2014-05-30

    This paper describes a two-dimensional code developed for analyzing two-phase deflagration-to-detonation transition (DDT) phenomenon in granular, energetic, solid, explosive ingredients. The two-dimensional model is constructed in full two-phase, and based on a highly coupled system of partial differential equations involving basic flow conservation equations and some constitutive relations borrowed from some one-dimensional studies that appeared in open literature. The whole system is solved using an optimized high-order accurate, explicit, central-difference scheme with selective-filtering/shock capturing (SF-SC) technique, to augment central-diffencing and prevent excessive dispersion. The sources of the equations describing particle-gas interactions in terms of momentum and energy transfers make the equation system quite stiff, and hence its explicit integration difficult. To ease the difficulties, a time-split approach is used allowing higher time steps. In the paper, the physical model for the sources of the equation system is given for a typical explosive, and several numerical calculations are carried out to assess the developed code. Microscale intergranular and/or intragranular effects including pore collapse, sublimation, pyrolysis, etc. are not taken into account for ignition and growth, and a basic temperature switch is applied in calculations to control ignition in the explosive domain. Results for one-dimensional DDT phenomenon are in good agreement with experimental and computational results available in literature. A typical shaped-charge wave-shaper case study is also performed to test the two-dimensional features of the code and it is observed that results are in good agreement with those of commercial software.

  1. Mathematical models of carbon-carbon composite deformation

    NASA Astrophysics Data System (ADS)

    Golovin, N. N.; Kuvyrkin, G. N.

    2016-09-01

    Mathematical models of carbon-carbon composites (CCC) intended for describing the processes of deformation of structures produced by using CCC under high-temperature loading are considered. A phenomenological theory of CCC inelastic deformation is proposed, where such materials are considered as homogeneous ones with effective characteristics and where their high anisotropy of mechanical characteristics and different ways of resistance to extension and compression are taken into account. Micromechanical models are proposed for spatially reinforced CCC, where the difference between mechanical characteristics of components and the reinforcement scheme are taken into account. Themodel parameters are determined from the results of experiments of composite macrospecimens in the directions typical of the material. A version of endochronictype theory with several internal times "launched" for each composite component and related to some damage accumulation mechanisms is proposed for describing the inelastic deformation. Some practical examples are considered.

  2. Fracture of Carbon Nanotube - Amorphous Carbon Composites: Molecular Modeling

    NASA Technical Reports Server (NTRS)

    Jensen, Benjamin D.; Wise, Kristopher E.; Odegard, Gregory M.

    2015-01-01

    Carbon nanotubes (CNTs) are promising candidates for use as reinforcements in next generation structural composite materials because of their extremely high specific stiffness and strength. They cannot, however, be viewed as simple replacements for carbon fibers because there are key differences between these materials in areas such as handling, processing, and matrix design. It is impossible to know for certain that CNT composites will represent a significant advance over carbon fiber composites before these various factors have been optimized, which is an extremely costly and time intensive process. This work attempts to place an upper bound on CNT composite mechanical properties by performing molecular dynamics simulations on idealized model systems with a reactive forcefield that permits modeling of both elastic deformations and fracture. Amorphous carbon (AC) was chosen for the matrix material in this work because of its structural simplicity and physical compatibility with the CNT fillers. It is also much stiffer and stronger than typical engineering polymer matrices. Three different arrangements of CNTs in the simulation cell have been investigated: a single-wall nanotube (SWNT) array, a multi-wall nanotube (MWNT) array, and a SWNT bundle system. The SWNT and MWNT array systems are clearly idealizations, but the SWNT bundle system is a step closer to real systems in which individual tubes aggregate into large assemblies. The effect of chemical crosslinking on composite properties is modeled by adding bonds between the CNTs and AC. The balance between weakening the CNTs and improving fiber-matrix load transfer is explored by systematically varying the extent of crosslinking. It is, of course, impossible to capture the full range of deformation and fracture processes that occur in real materials with even the largest atomistic molecular dynamics simulations. With this limitation in mind, the simulation results reported here provide a plausible upper limit on

  3. Electrochemical carbon dioxide concentrator: Math model

    NASA Technical Reports Server (NTRS)

    Marshall, R. D.; Schubert, F. H.; Carlson, J. N.

    1973-01-01

    A steady state computer simulation model of an Electrochemical Depolarized Carbon Dioxide Concentrator (EDC) has been developed. The mathematical model combines EDC heat and mass balance equations with empirical correlations derived from experimental data to describe EDC performance as a function of the operating parameters involved. The model is capable of accurately predicting performance over EDC operating ranges. Model simulation results agree with the experimental data obtained over the prediction range.

  4. Carbon accounting model for forests in Australia.

    PubMed

    Brack, C L; Richards, G P

    2002-01-01

    CAMFor (Carbon Accounting Model for Forests) is a sophisticated spreadsheet model developed to assist in carbon accounting and projection. This model can integrate information from a range of alternate sources including user input, default parameters and third party model outputs to calculate the carbon flows associated with a stand of trees and the wood products derived from harvests of that stand. Carbon is tracked in the following pools: * Biomass (stemwood, branches, bark, fine and coarse roots, leaves and twigs) * Soil (organic matter and inert charcoal) * Debris (coarse and fine litter, slash, below ground dead material) * Products (waste wood, sawn timber, paper, biofuel, reconstituted wood products). These pools can be tracked following thinning, fires and over multiple rotations. A sensitivity module has been developed to assist examination of the important assumptions and inputs. This paper reviews the functionality of CAMFor and reports on its use in a case study to explore the precision of estimates of carbon sequestration in a eucalypt plantation. Information on variability in unbiased models, measurement accuracy and other sources of error are combined in a sensitivity analysis to estimate the overall precision of sequestration estimates.

  5. Initiation Mechanisms of Low-loss Swept-ramp Obstacles for Deflagration to Detonation Transition in Pulse Detonation Combustors

    DTIC Science & Technology

    2009-12-01

    MECHANISMS OF LOW-LOSS SWEPT-RAMP OBSTACLES FOR DEFLAGRATION TO DETONATION TRANSITION IN PULSE DETONATION COMBUSTORS by Charles B. Myers IV...TITLE AND SUBTITLE Initiation Mechanisms of Low-loss Swept-ramp Obstacles for Deflagration to Detonation Transition in Pulse Detonation Combustors 6...DISTRIBUTION CODE A 13. ABSTRACT (maximum 200 words) In order to enhance the performance of pulse detonation combustors (PDCs), an efficient

  6. Next Generation Carbon-Nitrogen Dynamics Model

    NASA Astrophysics Data System (ADS)

    Xu, C.; Fisher, R. A.; Vrugt, J. A.; Wullschleger, S. D.; McDowell, N. G.

    2012-12-01

    Nitrogen is a key regulator of vegetation dynamics, soil carbon release, and terrestrial carbon cycles. Thus, to assess energy impacts on the global carbon cycle and future climates, it is critical that we have a mechanism-based and data-calibrated nitrogen model that simulates nitrogen limitation upon both above and belowground carbon dynamics. In this study, we developed a next generation nitrogen-carbon dynamic model within the NCAR Community Earth System Model (CESM). This next generation nitrogen-carbon dynamic model utilized 1) a mechanistic model of nitrogen limitation on photosynthesis with nitrogen trade-offs among light absorption, electron transport, carboxylation, respiration and storage; 2) an optimal leaf nitrogen model that links soil nitrogen availability and leaf nitrogen content; and 3) an ecosystem demography (ED) model that simulates the growth and light competition of tree cohorts and is currently coupled to CLM. Our three test cases with changes in CO2 concentration, growing temperature and radiation demonstrate the model's ability to predict the impact of altered environmental conditions on nitrogen allocations. Currently, we are testing the model against different datasets including soil fertilization and Free Air CO2 enrichment (FACE) experiments across different forest types. We expect that our calibrated model will considerably improve our understanding and predictability of vegetation-climate interactions.itrogen allocation model evaluations. The figure shows the scatter plots of predicted and measured Vc,max and Jmax scaled to 25 oC (i.e.,Vc,max25 and Jmax25) at elevated CO2 (570 ppm, test case one), reduced radiation in canopy (0.1-0.9 of the radiation at the top of canopy, test case two) and reduced growing temperature (15oC, test case three). The model is first calibrated using control data under ambient CO2 (370 ppm), radiation at the top of the canopy (621 μmol photon/m2/s), the normal growing temperature (30oC). The fitted model

  7. Modeling the dynamics of continental shelf carbon.

    PubMed

    Hofmann, Eileen E; Cahill, Bronwyn; Fennel, Katja; Friedrichs, Marjorie A M; Hyde, Kimberly; Lee, Cindy; Mannino, Antonio; Najjar, Raymond G; O'Reilly, John E; Wilkin, John; Xue, Jianhong

    2011-01-01

    Continental margin systems are important contributors to global nutrient and carbon budgets. Effort is needed to quantify this contribution and how it will be modified under changing patterns of climate and land use. Coupled models will be used to provide projections of future states of continental margin systems. Thus, it is appropriate to consider the limitations that impede the development of realistic models. Here, we provide an overview of the current state of modeling carbon cycling on continental margins as well as the processes and issues that provide the next challenges to such models. Our overview is done within the context of a coupled circulation-biogeochemical model developed for the northeastern North American continental shelf region. Particular choices of forcing and initial fields and process parameterizations are used to illustrate the consequences for simulated distributions, as revealed by comparisons to observations using quantitative statistical metrics.

  8. Stochastic multiscale model for carbonate rocks.

    PubMed

    Biswal, B; Oren, P-E; Held, R J; Bakke, S; Hilfer, R

    2007-06-01

    A multiscale model for the diagenesis of carbonate rocks is proposed. It captures important pore scale characteristics of carbonate rocks: wide range of length scales in the pore diameters; large variability in the permeability; and strong dependence of the geometrical and transport parameters on the resolution. A pore scale microstructure of an oolithic dolostone with generic diagenetic features is successfully generated. The continuum representation of a reconstructed cubic sample of side length 2mm contains roughly 42 x 10{6} crystallites and pore diameters varying over many decades. Petrophysical parameters are computed on discretized samples of sizes up to 1000{3}. The model can be easily adapted to represent the multiscale microstructure of a wide variety of carbonate rocks.

  9. Modeling Mechanical Properties of Carbon Molecular Clusters and Carbon Nanostructural Materials

    DTIC Science & Technology

    2003-01-01

    UNCLASSIFIED Defense Technical Information Center Compilation Part Notice ADP014264 TITLE: Modeling Mechanical Properties of Carbon Molecular...Clusters and Carbon Nanostructural Materials DISTRIBUTION: Approved for public release, distribution unlimited This paper is part of the following report...Res. Soc. Symp. Proc. Vol. 740 © 2003 Materials Research Society 17.2 Modeling mechanical properties of carbon molecular clusters and carbon

  10. [Fire disaster due to deflagration of a propane gas-air mixture].

    PubMed

    Nadjem, Hadi; Vogt, Susanne; Simon, Karl-Heinz; Pollak, Stefan; Geisenberger, Dorothee; Kramer, Lena; Pircher, Rebecca; Perdekampl, Markus Große; Thierauf-Emberger, Annette

    2015-01-01

    On 26 Nov 2012, a serious fire occurred at Neustadt/Black Forest in which 14 persons in a sheltered workshop died and 10 other individuals were injured. The fire was caused by the unbridled escape of propane gas due to accidental disconnection of the screw fixing between a gas bottle and a catalytic heater. Deflagration of the propane gas-air mixture set the workshop facilities on fire. In spite of partly extensive burns the fatally injured victims could be rapidly identified. The results of the fire investigations at the scene and the autopsy findings are presented. Carboxyhemoglobin concentrations ranged between 8 and 56 % and signs of fire fume inhalation were present in all cases. Three victims had eardrum ruptures due to the sudden increase in air pressure during the deflagration.

  11. Evaluation of bursting capacity of containment vessels for hydrogen gas deflagrations and detonations

    SciTech Connect

    Raske, D. T.

    2000-05-17

    This paper describes a procedure to assess the bursting capacity of containment vessels used to transport radioactive materials. These vessels can be susceptible to an internal deflagration or detonation due to the ignition of hydrogen gas evolved by radiolysis. The maximum pressure capacity of a containment vessel can be established by determining the maximum primary vessel stresses at the maximum normal operating pressure and linearly extrapolating this pressure to stresses equal to the tensile yield or ultimate strength of the vessel's structural material. This leads to a maximum pressure to yield or burst the vessel. Comparison of data obtained with this procedure with experimental data or calculations that estimate the maximum deflagration or detonation pressure can provide a reasonable estimate of the capability of the containment vessel to safely contain the gases.

  12. The role and importance of porosity in the deflagration rates of HMX-based materials

    SciTech Connect

    Glascoe, E A; Hsu, P C; Springer, H K

    2011-03-15

    The deflagration behavior of thermally damaged HMX-based materials will be discussed. Strands of material were burned at pressures ranging from 10-300 MPa using the LLNL high pressure strand burner. Strands were heated in-situ and burned while still hot; temperatures range from 90-200 C and were chosen in order to allow for thermal damage of the material without significant decomposition of the HMX. The results indicate that multiple variables affect the burn rate but the most important are the polymorph of HMX and the nature and thermal stability of the non-HE portion of the material. Characterization of the strands indicate that the thermal soak produces significant porosity and permeability in the sample allowing for significantly faster burning due to the increased surface area and new pathways for flame spread into the material. Specifically, the deflagration rates of heated PBXN-9, LX-10, and PBX-9501 will be discussed and compared.

  13. MODELING MERCURY CONTROL WITH POWDERED ACTIVATED CARBON

    EPA Science Inventory

    The paper presents a mathematical model of total mercury removed from the flue gas at coal-fired plants equipped with powdered activated carbon (PAC) injection for Mercury control. The developed algorithms account for mercury removal by both existing equipment and an added PAC in...

  14. Modeling Carbon-Black/Polymer Composite Sensors

    PubMed Central

    Lei, Hua; Pitt, William G.; McGrath, Lucas K.; Ho, Clifford K.

    2012-01-01

    Conductive polymer composite sensors have shown great potential in identifying gaseous analytes. To more thoroughly understand the physical and chemical mechanisms of this type of sensor, a mathematical model was developed by combining two sub-models: a conductivity model and a thermodynamic model, which gives a relationship between the vapor concentration of analyte(s) and the change of the sensor signals. In this work, 64 chemiresistors representing eight different carbon concentrations (8–60 vol% carbon) were constructed by depositing thin films of a carbon-black/polyisobutylene composite onto concentric spiral platinum electrodes on a silicon chip. The responses of the sensors were measured in dry air and at various vapor pressures of toluene and trichloroethylene. Three parameters in the conductivity model were determined by fitting the experimental data. It was shown that by applying this model, the sensor responses can be adequately predicted for given vapor pressures; furthermore the analyte vapor concentrations can be estimated based on the sensor responses. This model will guide the improvement of the design and fabrication of conductive polymer composite sensors for detecting and identifying mixtures of organic vapors. PMID:22518071

  15. A report on the deflagration-to-detonation transition (DDT) in the high explosive LX-04

    SciTech Connect

    Hare, D E; Forbes, J W; Garcia, F; Granholm, R H; Tarver, C M; Vandersall, K S; Sandusky, H W

    2004-06-30

    The deflagration-to-detonation transition (DDT) was investigated for 1.874 g/cc (98.8 % of theoretical maximum density) LX-04 in moderate confinement (4340 steel tube at R{sub C} 32 with 1.020 inch inside diameter and 0.235 inch thick wall) at both ambient initial temperature (roughly 20 C) and at an initial temperature of 186 C. No transition to detonation was observed in a 295 mm column length for either case.

  16. Visualization and Measurement of the Deflagration of Metal-Foil Bounded JA2

    DTIC Science & Technology

    2015-06-01

    ABSTRACT  The US Army Research Laboratory conducted experiments to broaden its knowledge of the mechanisms underlying the deflagration of nitrate ester...predict enhanced mass generation rates and surface topology for nitrate - ester based propellants embedded with thermally conductive materials, whether... nitrate -ester propellants. Journal of Propulsion and Power. 20:440–454. 11. Anderson W, Meagher N, Vanderhoff J. Dark zones of solid propellant

  17. Deflagration Behavior of PBXN-109 and Composition B at High Pressures and Temperatures

    SciTech Connect

    Maienschein, J L; Wardell, J F

    2002-03-11

    We report deflagration rate measurements on PBXN-109 (RDWAVHTPB) and Composition B (RXDTTNThrvax) at pressures from 1,500-100,000 psi (10-700 MPa). This was done with the LLNL High Pressure Strand Burner, in which embedded wires are used to record the time-of-arrival of the burn front in the cylindrical sample as a function of pressure. The propellant samples are 6.4 mm in diameter and 6.4 mm long, with burn wires inserted between samples. Burning on the cylindrical surface is inhibited with an epoxy or polyurethane layer. With this direct measurement we do not have to account for product gas equation of state or heat losses in the system, and the burn wires allow detection of irregular burning. We report deflagration results for PBXN-109 as received, and also after it has been damaged by heating. The burn behavior of pristine PBXN-109 is very regular, and exhibits a reduction in pressure exponent from 1.32 to 0.85 at pressures above 20,000 psi (135 MPa). When PBXN-109 is thermally damaged by heating to 170-180 C, the deflagration rate is increased by more than a factor of 10. This appears to be a physical effect, as the faster burning may be explained by an increase in surface area. Our results with Composition B show an apparent 2nd order pressure dependence for initial deflagration, followed by deconsolidation and onset of very rapid and erratic burning. The deconsolidation may be the result of the TNT melting as heat flows into the sample.

  18. Different stages of flame acceleration from slow burning to Chapman-Jouguet deflagration.

    PubMed

    Valiev, Damir M; Bychkov, Vitaly; Akkerman, V'yacheslav; Eriksson, Lars-Erik

    2009-09-01

    Numerical simulations of spontaneous flame acceleration are performed within the problem of flame transition to detonation in two-dimensional channels. The acceleration is studied in the extremely wide range of flame front velocity changing by 3 orders of magnitude during the process. Flame accelerates from realistically small initial velocity (with Mach number about 10(-3)) to supersonic speed in the reference frame of the tube walls. It is shown that flame acceleration undergoes three distinctive stages: (1) initial exponential acceleration in the quasi-isobaric regime, (2) almost linear increase in the flame speed to supersonic values, and (3) saturation to a stationary high-speed deflagration velocity. The saturation velocity of deflagration may be correlated with the Chapman-Jouguet deflagration speed. The acceleration develops according to the Shelkin mechanism. Results on the exponential flame acceleration agree well with previous theoretical and numerical studies. The saturation velocity is in line with previous experimental results. Transition of flame acceleration regime from the exponential to the linear one, and then to the constant velocity, happens because of gas compression both ahead and behind the flame front.

  19. Modeling the Carbon Dust Around Evolved Carbon Stars

    NASA Astrophysics Data System (ADS)

    Derby, John; Chiar, Jean E.; Povich, Matthew S.; Egan, Michael P.; Jones, Anthony P.; Tielens, Xander

    2015-01-01

    We used a 3D Monte Carlo radiative transfer code to model the dust emission around the evolved carbon star, IRAS 07134+1005. We assume the axially symmetric superwind dust shell model as defined by Meixner et al. 1997 (ApJ, 482, 897). IRAS 07134+1005 is a '21 mm' object and is, thus, a carbon-rich, low metallicity star with a large infrared excess. In order to determine the characteristics of the circumstellar carbonaceous dust, we use a set of optical constants for carbonaceous materials computed over a range of H/C and band-gaps. This is the first study to use a set of known hydrocarbon types that covered a range of hydrogen atom fractions and thus a span of aromatic rich (low hydrogen atom fraction) to aliphatic rich (high hydrogen atom fraction) hydrocarbon materials. Our observational data (photometry and spectroscopy from the literature) cover the wavelength range from 0.352-100 mm. We compare our model spectrum and simulated mid-IR images to the observed spectral energy distribution and images to draw conclusions about the nature of the hydrocarbon dust around IRAS 07134+1005.Support for this work came from National Science Foundation under Award No. AST-1322432, a PAARE Grant for the California-Arizona Minority Partnership for Astronomy Research and Education (CAMPARE) and AST-1359346, an REU Site Grant at the SETI Institute, and by the John Templeton Foundation through its New Frontiers in Astronomy and Cosmology, administered by Don York of the University of Chicago.

  20. Improving carbon model phenology using data assimilation

    NASA Astrophysics Data System (ADS)

    Exrayat, Jean-François; Smallman, T. Luke; Bloom, A. Anthony; Williams, Mathew

    2015-04-01

    Carbon cycle dynamics is significantly impacted by ecosystem phenology, leading to substantial seasonal and inter-annual variation in the global carbon balance. Representing inter-annual variability is key for predicting the response of the terrestrial ecosystem to climate change and disturbance. Existing terrestrial ecosystem models (TEMs) often struggle to accurately simulate observed inter-annual variability. TEMs often use different phenological models based on plant functional type (PFT) assumptions. Moreover, due to a high level of computational overhead in TEMs they are unable to take advantage of globally available datasets to calibrate their models. Here we describe the novel CARbon DAta MOdel fraMework (CARDAMOM) for data assimilation. CARDAMOM is used to calibrate the Data Assimilation Linked Ecosystem Carbon version 2 (DALEC2) model using Bayes' Theorem within a Metropolis Hastings - Markov Chain Monte Carlo (MH-MCMC). CARDAMOM provides a framework which combines knowledge from observations, such as remotely sensed LAI, and heuristic information in the form of Ecological and Dynamical Constraints (EDCs). The EDCs are representative of real world processes and constrain parameter interdependencies and constrain carbon dynamics. We used CARDAMOM to bring together globally spanning datasets of LAI and the DALEC2 and DALEC2-GSI models. These analyses allow us to investigate the sensitivity ecosystem processes to the representation of phenology. DALEC2 uses an analytically solved model of phenology which is invariant between years. In contrast DALEC2-GSI uses a growing season index (GSI) calculated as a function of temperature, vapour pressure deficit (VPD) and photoperiod to calculate bud-burst and leaf senescence, allowing the model to simulate inter-annual variability in response to climate. Neither model makes any PFT assumptions about the phenological controls of a given ecosystem, allowing the data alone to determine the impact of the meteorological

  1. Modeling of carbon nanotubes and carbon nanotube-polymer composites

    NASA Astrophysics Data System (ADS)

    Pal, G.; Kumar, S.

    2016-01-01

    In order to meet stringent environmental, safety and performance requirements from respective regulatory bodies, various technology-based industries are promoting the use of advanced carbon nanotube (CNT) reinforced lightweight and high strength polymer nanocomposites (PNCs) as a substitute to conventional materials both in structural and non-structural applications. The superior mechanical properties of PNCs made up of CNTs or bundles of CNTs can be attributed to the interfacial interaction between the CNTs and matrix, CNT's morphologies and to their uniform dispersion in the matrix. In PNCs, CNTs physically bond with polymeric matrix at a level where the assumption of continuum level interactions is not applicable. Modeling and prediction of mechanical response and failure behavior of CNTs and their composites becomes a complex task and is dealt with the help of up-scale modeling strategies involving multiple spatial and temporal scales in hierarchical or concurrent manner. Firstly, the article offers an insight into various modeling techniques in studying the mechanical response of CNTs; namely, equivalent continuum approach, quasi-continuum approach and molecular dynamics (MD) simulation. In the subsequent steps, these approaches are combined with analytical and numerical micromechanics models in a multiscale framework to predict the average macroscopic response of PNCs. The review also discusses the implementation aspects of these computational approaches, their current status and associated challenges with a future outlook.

  2. Multiphase Sequestration Geochemistry: Model for Mineral Carbonation

    SciTech Connect

    White, Mark D.; McGrail, B. Peter; Schaef, Herbert T.; Hu, Jian Z.; Hoyt, David W.; Felmy, Andrew R.; Rosso, Kevin M.; Wurstner, Signe K.

    2011-04-01

    Carbonation of formation minerals converts low viscosity supercritical CO2 injected into deep saline reservoirs for geologic sequestration into an immobile form. Until recently the scientific focus of mineralization reactions with reservoir rocks has been those that follow an aqueous-mediated dissolution/precipitation mechanism, driven by the sharp reduction in pH that occurs with CO2 partitioning into the aqueous phase. For sedimentary basin formations the kinetics of aqueous-mediated dissolution/precipitation reactions are sufficiently slow to make the role of mineralization trapping insignificant over a century period. For basaltic saline formations aqueous-phase mineralization progresses at a substantially higher rate, making the role of mineralization trapping significant, if not dominant, over a century period. The overlooked mineralization reactions for both sedimentary and basaltic saline formations, however, are those that occur in liquid or supercritical CO2 phase; where, dissolved water appears to play a catalyst role in the formation of carbonate minerals. A model is proposed in this paper that describes mineral carbonation over sequestration reservoir conditions ranging from dissolved CO2 in aqueous brine to dissolved water in supercritical CO2. The model theory is based on a review of recent experiments directed at understanding the role of water in mineral carbonation reactions of interest in geologic sequestration systems occurring under low water contents.

  3. Soil fauna: key to new carbon models

    NASA Astrophysics Data System (ADS)

    Filser, Juliane; Faber, Jack H.; Tiunov, Alexei V.; Brussaard, Lijbert; Frouz, Jan; De Deyn, Gerlinde; Uvarov, Alexei V.; Berg, Matty P.; Lavelle, Patrick; Loreau, Michel; Wall, Diana H.; Querner, Pascal; Eijsackers, Herman; José Jiménez, Juan

    2016-11-01

    Soil organic matter (SOM) is key to maintaining soil fertility, mitigating climate change, combatting land degradation, and conserving above- and below-ground biodiversity and associated soil processes and ecosystem services. In order to derive management options for maintaining these essential services provided by soils, policy makers depend on robust, predictive models identifying key drivers of SOM dynamics. Existing SOM models and suggested guidelines for future SOM modelling are defined mostly in terms of plant residue quality and input and microbial decomposition, overlooking the significant regulation provided by soil fauna. The fauna controls almost any aspect of organic matter turnover, foremost by regulating the activity and functional composition of soil microorganisms and their physical-chemical connectivity with soil organic matter. We demonstrate a very strong impact of soil animals on carbon turnover, increasing or decreasing it by several dozen percent, sometimes even turning C sinks into C sources or vice versa. This is demonstrated not only for earthworms and other larger invertebrates but also for smaller fauna such as Collembola. We suggest that inclusion of soil animal activities (plant residue consumption and bioturbation altering the formation, depth, hydraulic properties and physical heterogeneity of soils) can fundamentally affect the predictive outcome of SOM models. Understanding direct and indirect impacts of soil fauna on nutrient availability, carbon sequestration, greenhouse gas emissions and plant growth is key to the understanding of SOM dynamics in the context of global carbon cycling models. We argue that explicit consideration of soil fauna is essential to make realistic modelling predictions on SOM dynamics and to detect expected non-linear responses of SOM dynamics to global change. We present a decision framework, to be further developed through the activities of KEYSOM, a European COST Action, for when mechanistic SOM models

  4. BOREAS TE-19 Ecosystem Carbon Balance Model

    NASA Technical Reports Server (NTRS)

    Hall, Forrest G. (Editor); Papagno, Andrea (Editor); Frolking, Steve

    2000-01-01

    The BOREAS TE-19 team developed a model called the Spruce and Moss Model (SPAM) designed to simulate the daily carbon balance of a black spruce/moss boreal forest ecosystem. It is driven by daily weather conditions, and consists of four components: (1) soil climate, (2) tree photosynthesis and respiration, (3) moss photosynthesis and respiration, and (4) litter decomposition and associated heterotrophic respiration. The model simulates tree gross and net photosynthesis, wood respiration, live root respiration, moss gross and net photosynthesis, and heterotrophic respiration (decomposition of root litter, young needle and moss litter, and humus). These values can be combined to generate predictions of total site net ecosystem exchange of carbon (NEE), total soil dark respiration (live roots + heterotrophs + live moss), spruce and moss net productivity, and net carbon accumulation in the soil. To date, simulations have been of the BOREAS NSA-OBS and SSA-OBS tower sites, from 1968-95 (except 1990-93). The files include source code and sample input and output files in ASCII format. The data files are available on a CD-ROM (see document number 20010000884), or from the Oak Ridge National Laboratory (ORNL) Distributed Activity Archive Center (DAAC).

  5. Modeling the carbon cycle in Lake Matano.

    PubMed

    Kuntz, L B; Laakso, T A; Schrag, D P; Crowe, S A

    2015-09-01

    Lake Matano, Indonesia, is a stratified anoxic lake with iron-rich waters that has been used as an analogue for the Archean and early Proterozoic oceans. Past studies of Lake Matano report large amounts of methane production, with as much as 80% of primary production degraded via methanogenesis. Low δ(13)C values of DIC in the lake are difficult to reconcile with this notion, as fractionation during methanogenesis produces isotopically heavy CO2. To help reconcile these observations, we develop a box model of the carbon cycle in ferruginous Lake Matano, Indonesia, that satisfies the constraints of CH4 and DIC isotopic profiles, sediment composition, and alkalinity. We estimate methane fluxes smaller than originally proposed, with about 9% of organic carbon export to the deep waters degraded via methanogenesis. In addition, despite the abundance of Fe within the waters, anoxic ferric iron respiration of organic matter degrades <3% of organic carbon export, leaving methanogenesis as the largest contributor to anaerobic organic matter remineralization, while indicating a relatively minor role for iron as an electron acceptor. As the majority of carbon exported is buried in the sediments, we suggest that the role of methane in the Archean and early Proterozoic oceans is less significant than presumed in other studies.

  6. An isopycnic ocean carbon cycle model

    NASA Astrophysics Data System (ADS)

    Assmann, K. M.; Bentsen, M.; Segschneider, J.; Heinze, C.

    2010-02-01

    The carbon cycle is a major forcing component in the global climate system. Modelling studies, aiming to explain recent and past climatic changes and to project future ones, increasingly include the interaction between the physical and biogeochemical systems. Their ocean components are generally z-coordinate models that are conceptually easy to use but that employ a vertical coordinate that is alien to the real ocean structure. Here, we present first results from a newly-developed isopycnic carbon cycle model and demonstrate the viability of using an isopycnic physical component for this purpose. As expected, the model represents well the interior ocean transport of biogeochemical tracers and produces realistic tracer distributions. Difficulties in employing a purely isopycnic coordinate lie mainly in the treatment of the surface boundary layer which is often represented by a bulk mixed layer. The most significant adjustments of the ocean biogeochemistry model HAMOCC, for use with an isopycnic coordinate, were in the representation of upper ocean biological production. We present a series of sensitivity studies exploring the effect of changes in biogeochemical and physical processes on export production and nutrient distribution. Apart from giving us pointers for further model development, they highlight the importance of preformed nutrient distributions in the Southern Ocean for global nutrient distributions. The sensitivity studies show that iron limitation for biological particle production, the treatment of light penetration for biological production, and the role of diapycnal mixing result in significant changes of nutrient distributions and liniting factors of biological production.

  7. An isopycnic ocean carbon cycle model

    NASA Astrophysics Data System (ADS)

    Assmann, K. M.; Bentsen, M.; Segschneider, J.; Heinze, C.

    2009-07-01

    The carbon cycle is a major forcing component in the global climate system. Modelling studies aiming to explain recent and past climatic changes and to project future ones thus increasingly include the interaction between the physical and biogeochemical systems. Their ocean components are generally z-coordinate models that are conceptually easy to use but that employ a vertical coordinate that is alien to the real ocean structure. Here we present first results from a newly developed isopycnic carbon cycle model and demonstrate the viability of using an isopycnic physical component for this purpose. As expected, the model represents interior ocean transport of biogeochemical tracers well and produces realistic tracer distributions. Difficulties in employing a purely isopycnic coordinate lie mainly in the treatment of the surface boundary layer which is often represented by a bulk mixed layer. The most significant adjustments of the biogeochemical code for use with an isopycnic coordinate are in the representation of upper ocean biological production. We present a series of sensitivity studies exploring the effect of changes in biogeochemical and physical processes on export production and nutrient distribution. Apart from giving us pointers for further model development, they highlight the importance of preformed nutrient distributions in the Southern Ocean for global nutrient distributions. Use of a prognostic slab atmosphere allows us to assess the effect of the changes in export production on global ocean carbon uptake and atmospheric CO2 levels. Sensitivity studies show that iron limitation for biological particle production, the treatment of light penetration for biological production, and the role of diapycnal mixing result in significant changes of modelled air-sea fluxes and nutrient distributions.

  8. Modeling flow of mineralized carbon dioxide slurry

    SciTech Connect

    Penner, Larry R.; Dahlin, David C.; Gerdemann, Stephen J.; Saha, K.K.

    2005-04-01

    Direct mineral carbonation was investigated at Albany Research Center (US DOE) as a means to sequester carbon dioxide into stable mineral matrices. Although previous work focused on treating Mg-containing minerals in conventional autoclaves, recent work has been done using pipeline-reactor technology for the high-temperature, high-pressure (HTHP) reaction of the minerals in aqueous/CO2 media. Sequestration of CO2 using above-ground reactors may be uneconomical, but the technology may also be applicable in geological sequestration of CO2. Progress is described in using a prototype HTHP flow-loop reactor to model flow in the dynamic three-phase system to help determine the pumping-energy requirements to optimize reactivity.

  9. Existing Soil Carbon Models Do Not Apply to Forested Wetlands.

    SciTech Connect

    Trettin, C C; Song, B; Jurgensen, M F; Li, C

    2001-09-14

    Evaluation of 12 widely used soil carbon models to determine applicability to wetland ecosystems. For any land area that includes wetlands, none of the individual models would produce reasonable simulations based on soil processes. Study presents a wetland soil carbon model framework based on desired attributes, the DNDC model and components of the CENTURY and WMEM models. Proposed synthesis would be appropriate when considering soil carbon dynamics at multiple spatial scales and where the land area considered includes both wetland and upland ecosystems.

  10. Deflagration to detonation transition in mechanoactivated mixtures of ammonium perchlorate with aluminum

    NASA Astrophysics Data System (ADS)

    Shevchenko, A. A.; Dolgoborodov, A. Yu; Kirilenko, V. G.; Brazhnikov, M. A.

    2016-11-01

    Deflagration-to-detonation transition (DDT) in aluminum-ammonium perchlorate (Al/AP) loose-packed charges (80% porosity) has been studied. The charges were manufactured from preliminary mechanoactivated mixtures. The mixtures placed in steel tubes 10 mm in diameter were ignited by Nichrome wire. It was found that it is possible to distinguish three parts corresponding to different stages of DDT process development. Steady-state detonation velocity reached the level of 2500 m/s at the distance of 90 mm from the ignition point.

  11. Apparatus and method for rapid detection of explosives residue from the deflagration signature thereof

    DOEpatents

    Funsten, Herbert O.; McComas, David J.

    1997-01-01

    Apparatus and method for rapid detection of explosives residue from the deflagration signature thereof. A property inherent to most explosives is their stickiness, resulting in a strong tendency of explosive particulate to contaminate the environment of a bulk explosive. An apparatus for collection of residue particulate, burning the collected particulate, and measurement of the optical emission produced thereby is described. The present invention can be utilized for real-time screening of personnel, cars, packages, suspected devices, etc., and provides an inexpensive, portable, and noninvasive means for detecting explosives.

  12. Apparatus and method for rapid detection of explosives residue from the deflagration signature thereof

    DOEpatents

    Funsten, H.O.; McComas, D.J.

    1999-06-15

    Apparatus and method are disclosed for rapid detection of explosives residue from the deflagration signature thereof. A property inherent to most explosives is their stickiness, resulting in a strong tendency of explosive particulate to contaminate the environment of a bulk explosive. An apparatus for collection of residue particulate, burning the collected particulate, and measurement of the ultraviolet emission produced thereby, is described. The present invention can be utilized for real-time screening of personnel, cars, packages, suspected devices, etc., and provides an inexpensive, portable, and noninvasive means for detecting explosives. 4 figs.

  13. Apparatus and method for rapid detection of explosives residue from the deflagration signature thereof

    DOEpatents

    Funsten, Herbert O.; McComas, David J.

    1999-01-01

    Apparatus and method for rapid detection of explosives residue from the deflagration signature thereof. A property inherent to most explosives is their stickiness, resulting in a strong tendency of explosive particulate to contaminate the environment of a bulk explosive. An apparatus for collection of residue particulate, burning the collected particulate, and measurement of the ultraviolet emission produced thereby, is described. The present invention can be utilized for real-time screening of personnel, cars, packages, suspected devices, etc., and provides an inexpensive, portable, and noninvasive means for detecting explosives.

  14. Self-deflagration rates of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB). [burning tate, thermal stability

    NASA Technical Reports Server (NTRS)

    Boggs, T. L.; Price, C. F.; Zurn, D. E.; Atwood, A. I.; Eisel, J. L.

    1980-01-01

    The thermal stability and resistance to impact was investigated for the ingredient TABA. Particular attention was given to determining the use of TABA as a possible alternative ingredient or substitute for HMX in explosives and high energy propellants. The burn rate of TABA was investigated as a function of pressure. It was concluded that the self deflagration rate of TABA is an order of magnitude lower than HMX over the range 2000-15000 psi; TABA will not sustain self deflagration at low pressures (less than or equal to 1500 psi) in the sample configuration and apparatus used.

  15. Silicon Carbide Derived Carbons: Experiments and Modeling

    SciTech Connect

    Kertesz, Miklos

    2011-02-28

    The main results of the computational modeling was: 1. Development of a new genealogical algorithm to generate vacancy clusters in diamond starting from monovacancies combined with energy criteria based on TBDFT energetics. The method revealed that for smaller vacancy clusters the energetically optimal shapes are compact but for larger sizes they tend to show graphitized regions. In fact smaller clusters of the size as small as 12 already show signatures of this graphitization. The modeling gives firm basis for the slit-pore modeling of porous carbon materials and explains some of their properties. 2. We discovered small vacancy clusters and their physical characteristics that can be used to spectroscopically identify them. 3. We found low barrier pathways for vacancy migration in diamond-like materials by obtaining for the first time optimized reaction pathways.

  16. Dynamic energy models and carbon mitigation policies

    NASA Astrophysics Data System (ADS)

    Tilley, Luke A.

    In this dissertation I examine a specific class of energy models and their implications for carbon mitigation policies. The class of models includes a production function capable of reproducing the empirically observed phenomenon of short run rigidity of energy use in response to energy price changes and long run exibility of energy use in response to energy price changes. I use a theoretical model, parameterized using empirical data, to simulate economic performance under several tax regimes where taxes are levied on capital income, investment, and energy. I also investigate transitions from one tax regime to another. I find that energy taxes intended to reduce energy use can successfully achieve those goals with minimal or even positive impacts on macroeconomic performance. But the transition paths to new steady states are lengthy, making political commitment to such policies very challenging.

  17. Models for generation of carbonate cycles

    NASA Astrophysics Data System (ADS)

    Read, J. F.; Grotzinger, J. P.; Bova, J. A.; Koerschner, W. F.

    1986-02-01

    Computer modeling provides a quantitative approach to a better understanding of actual carbonate cyclic sequences. To model carbonate cycles, we can use water-depth-dependent sedimentation rate for each facies, an initial lag time, linear subsidence, tidal range, and period and amplitude of sea-level oscillation about a horizontal datum. Tidal-flat-capped cycles up to a few metres thick result from low-amplitude sea-level oscillation of a few metres and short lag times. Nonerosive caps reflect sea-level lowering being balanced by subsidence, and basinward migration of the shoreline not exceeding tidal-flat progradation rate. When higher amplitude sea-level oscillations occur, the tidal flats are abandoned on the inner shelf during sea-level fall, because seaward movement of the strandline outpaces progradation rate of flats. Increased amplitude also results in sea level falling faster than flats can subside, so that disconformities with thick vadose profiles develop. High-amplitude (100 m or more) oscillations result in incipient drowning of platforms and juxtaposition of deep-water facies against shallow-water facies within cycles. Sea level falls before the platform can build to the sea-level highstand, and the shoreline migrates much more rapidly than tidal flats can prograde; thus, cycles are disconformity-bounded and lack tidal-flat caps.

  18. Fast Hydrogen-Air Flames for Turbulence Driven Deflagration to Detonation Transition

    NASA Astrophysics Data System (ADS)

    Chambers, Jessica; Ahmed, Kareem

    2016-11-01

    Flame acceleration to Detonation produces several combustion modes as the Deflagration-to-Detonation Transition (DDT) is initiated, including fast deflagration, auto-ignition, and quasi-detonation. Shock flame interactions and turbulence levels in the reactant mixture drive rapid flame expansion, formation of a leading shockwave and post-shock conditions. An experimental study to characterize the developing shock and flame front behavior of propagating premixed hydrogen-air flames in a square channel is presented. To produce each flame regime, turbulence levels and flame propagation velocity are controlled using perforated plates in several configurations within the experimental facility. High speed optical diagnostics including Schlieren and Particle Image Velocimetry are used to capture the flow field. In-flow pressure measurements acquired post-shock, detail the dynamic changes that occur in the compressed gas directly ahead of the propagating flame. Emphasis on characterizing the turbulent post-shock environment of the various flame regimes helps identify the optimum conditions to initiate the DDT process. The study aims to further the understanding of complex physical mechanisms that drive transient flame conditions for detonation initiation. American Chemical Society.

  19. Experimental Characterization of a Plasma Deflagration Accelerator for Simulating Fusion Wall Response to Disruption Events

    NASA Astrophysics Data System (ADS)

    Underwood, Thomas; Loebner, Keith; Cappelli, Mark

    2016-10-01

    In this work, the suitability of a pulsed deflagration accelerator to simulate the interaction of edge-localized modes with plasma first wall materials is investigated. Experimental measurements derived from a suite of diagnostics are presented that focus on the both the properties of the plasma jet and the manner in which such jets couple with material interfaces. Detailed measurements of the thermodynamic plasma state variables within the jet are presented using a quadruple Langmuir probe operating in current-saturation mode. This data in conjunction with spectroscopic measurements of H α Stark broadening via a fast-framing, intensified CCD camera provide spatial and temporal measurements of how the plasma density and temperature scale as a function of input energy. Using these measurements, estimates for the energy flux associated with the deflagration accelerator are found to be completely tunable over a range spanning 150 MW m-2 - 30 GW m-2. The plasma-material interface is investigated using tungsten tokens exposed to the plasma plume under variable conditions. Visualizations of resulting shock structures are achieved through Schlieren cinematography and energy transfer dynamics are discussed by presenting temperature measurements of exposed materials. This work is supported by the U.S. Department of Energy Stewardship Science Academic Program in addition to the National Defense Science Engineering Graduate Fellowship.

  20. Chemical Energy Release in Several Recently Discovered Detonation and Deflagration Flows

    NASA Astrophysics Data System (ADS)

    Tarver, Craig M.

    2010-10-01

    Several recent experiments on complex detonation and deflagration flows are analyzed in terms of the chemical energy release required to sustain these flows. The observed double cellular structures in detonating gaseous nitromethane-oxygen and NO2-fuel (H2, CH4, and C2H6) mixtures are explained by the amplification of two distinct pressure wave frequencies by two exothermic reactions, the faster reaction forming vibrationally excited NO* and the slower reaction forming highly vibrationally excited N2**. The establishment of a Chapman-Jouguet (C-J) deflagration behind a weak shock wave, the C-J detonation established after a head-on collision with a shock front, and the C-J detonation conditions established in reactive supersonic flows are quantitatively calculated using the chemical energy release of a H2 + Cl2 mixture. For these three reactive flows, these calculations illustrate that different fractions of the exothermic chemical energy are used to sustain steady-state propagation. C-J detonation calculations on the various initial states using the CHEETAH chemical equilibrium code are shown to be in good agreement with experimental detonation velocity measurements for the head-on collision and supersonic flow detonations.

  1. The AEM and regional carbonate aquifer modeling.

    PubMed

    Johnson, Cady; Mifflin, Martin

    2006-01-01

    The analytic element method (AEM) has been applied to a 15,000-km2 area of the Paleozoic carbonate rock terrain of Nevada. The focus is the Muddy River springs area, which receives 1.44 m3/s (51 ft3/s) of regionally derived ground water, and forms the Muddy River. The study was undertaken early in 2000 to support the development of a cooling water supply for a gas-fired generation facility 20 km south of the Muddy River springs. The primary objectives of the AEM modeling were to establish a better understanding of regional fluxes and boundary conditions and to provide a framework for examination of more local transient effects using MODFLOW. Geochemical evidence available in 2000 suggested two separate flow fields, one in the north discharging at the springs, and a southern area of small hydraulic gradients. To be conservative, however, hydraulic continuity between the two areas was maintained in the 2000 AEM model. Using new monitoring well data collected in the south, and analyses confirming that seasonal pumping effects in the north are not propagated to the south, a later AEM model that included a barrier calibrated with relative ease. The analytic element model was well suited for simulating an area larger than the immediate area of interest, was easy to modify as more information became available, and facilitated the stepwise development of multiple conceptual models of the site.

  2. First principles model of carbonate compaction creep

    NASA Astrophysics Data System (ADS)

    Keszthelyi, Daniel; Dysthe, Dag Kristian; Jamtveit, Bjørn

    2016-05-01

    Rocks under compressional stress conditions are subject to long-term creep deformation. From first principles we develop a simple micromechanical model of creep in rocks under compressional stress that combines microscopic fracturing and pressure solution. This model was then upscaled by a statistical mechanical approach to predict strain rate at core and reservoir scale. The model uses no fitting parameter and has few input parameters: effective stress, temperature, water saturation porosity, and material parameters. Material parameters are porosity, pore size distribution, Young's modulus, interfacial energy of wet calcite, the dissolution, and precipitation rates of calcite, and the diffusion rate of calcium carbonate, all of which are independently measurable without performing any type of deformation or creep test. Existing long-term creep experiments were used to test the model which successfully predicts the magnitude of the resulting strain rate under very different effective stress, temperature, and water saturation conditions. The model was used to predict the observed compaction of a producing chalk reservoir.

  3. Modelling feedback mechanisms in the carbon cycle: balancing the carbon budget

    NASA Astrophysics Data System (ADS)

    Rotmans, J.; den Elzen, M. G. J.

    1993-09-01

    Within the carbon cycle feedback, mechanisms that amplify or dampen the exchange of carbon dioxide between the different reservoirs to enhance concentrations of carbon dioxide and increase temperature from anthropogenic perturbations, play a crucial rôle. Quite a lot of these feedbacks are known, but most of them only potentially. This article evaluates the role of a number of these feedback processes within the carbon cycle. In order to assess their impact, some terrestrial feedbacks have been built into a coupled carbon cycle and climate model, as part of the integrated climate assessment model IMAGE. A number of simulation experiments have been performed with this coupled carbon cycle/climate model to compare historical atmospheric concentration values of carbon dioxide with simulated values. Also global biospheric and oceanic carbon fluxes were validated against other modelling estimates. Based on the assumptions of the IPCC's 1990 Business-as-Usual (BaU-1990) scenario, future projections of the carbon dioxide concentration have been made. A key principle in this is that we have used the modelled feedbacks in order to balance the past and present carbon budget. For atmospheric carbon dioxide, this results in substantially lower projections than the IPCC-estimates: the difference in 2100 is approximately 16% from the 1990 level. Furthermore, the IPCC's 'best guess' or 'central estimate' value of the CO2 concentration in 2100 falls outside the uncertainty range estimated with our balanced modelling approach. Sensitivity experiments with the model have been performed to quantify to what extent the terrestrial feedback processes and oceanic fluxes influence the global carbon balance in the model. It is shown that a historical and present carbon balance can be obtained in many different ways, resulting in different biospheric fluxes and thus in considerably different atmospheric CO2 projections.

  4. Distribution of calcium carbonate in desert soils: A model

    SciTech Connect

    Mayer, L.; McFadden, L.D.; Harden, J.W.

    1988-04-01

    A model that describes the distribution of calcium carbonate in desert soils as a function of dust flux, time, climate, and other soil-forming factors shows which factors most strongly influence the accumulation of carbonate and can be used to evaluate carbonate-based soil age estimates or paleoclimatic reconstructions. Models for late Holocene soils have produced carbonate distributions that are very similar to those of well-dated soils in New Mexico and southern California. These results suggest that (1) present climate is a fair representation of late Holocene climate, (2) carbonate dust flux can be approximated by its Holocene rate, and (3) changes in climate and/or dust flux at the end of the Pleistocene effected profound and complex changes in soil carbonate distributions. Both higher carbonate dust flux and greater effective precipitation are required during the latest Pleistocene-early Holocene to explain carbonate distributions in latest Pleistocene soils. 21 refs., 4 figs., 1 tab.

  5. First Principles Atomistic Model for Carbon-Doped Boron Suboxide

    DTIC Science & Technology

    2014-09-01

    First Principles Atomistic Model for Carbon-Doped Boron Suboxide by Amol B Rahane, Jennifer S Dunn, and Vijay Kumar ARL-TR-7106...2014 First Principles Atomistic Model for Carbon-Doped Boron Suboxide Amol B Rahane Dr Vijay Kumar Foundation 1969 Sector 4 Gurgaon...Final 3. DATES COVERED (From - To) October 2013–July 2014 4. TITLE AND SUBTITLE First Principles Atomistic Model for Carbon-Doped Boron Suboxide

  6. The role of gas phase reactions in the deflagration-to-detonation transition of high energy propellants

    NASA Technical Reports Server (NTRS)

    Boggs, T. L.; Price, C. F.; Atwood, A. I.; Zurn, D. E.; Eisel, J. L.; Derr, R. L.

    1980-01-01

    The inadequacies of the two commonly used assumptions are shown, along with the need for considering gas phase reactions. Kinetic parameters that describe the gas phase reactions for several ingredients are provided, and the first steps in convective combustion leading to deflagration to detonation transition are described.

  7. Approximate model for laser ablation of carbon

    NASA Astrophysics Data System (ADS)

    Shusser, Michael

    2010-08-01

    The paper presents an approximate kinetic theory model of ablation of carbon by a nanosecond laser pulse. The model approximates the process as sublimation and combines conduction heat transfer in the target with the gas dynamics of the ablated plume which are coupled through the boundary conditions at the interface. The ablated mass flux and the temperature of the ablating material are obtained from the assumption that the ablation rate is restricted by the kinetic theory limitation on the maximum mass flux that can be attained in a phase-change process. To account for non-uniform distribution of the laser intensity while keeping the calculation simple the quasi-one-dimensional approximation is used in both gas and solid phases. The results are compared with the predictions of the exact axisymmetric model that uses the conservation relations at the interface derived from the momentum solution of the Boltzmann equation for arbitrary strong evaporation. It is seen that the simpler approximate model provides good accuracy.

  8. Modelling interactions of carbon dioxide, forests, and climate

    SciTech Connect

    Luxmoore, R.J.; Baldocchi, D.D.

    1994-09-01

    Atmospheric carbon dioxide is rising and forests and climate is changing! This combination of fact and premise may be evaluated at a range of temporal and spatial scales with the aid of computer simulators describing the interrelationships between forest vegetation, litter and soil characteristics, and appropriate meteorological variables. Some insights on the effects of climate on the transfers of carbon and the converse effect of carbon transfer on climate are discussed as a basis for assessing the significance of feedbacks between vegetation and climate under conditions of rising atmospheric carbon dioxide. Three main classes of forest models are reviewed. These are physiologically-based models, forest succession simulators based on the JABOWA model, and ecosystem-carbon budget models that use compartment transfer rates with empirically estimated coefficients. Some regression modeling approaches are also outlined. Energy budget models applied to forests and grasslands are also reviewed. This review presents examples of forest models; a comprehensive discussion of all available models is not undertaken.

  9. Modeling of HiPco Process for Carbon Nanotube Production

    NASA Technical Reports Server (NTRS)

    Gokcen, T.; Dateo, C. E.; Meyyappan, M.; Colbert, D. T.; Smith, D. T.; Smith, K.; Smalley, R. E.; Arnold, James O. (Technical Monitor)

    2000-01-01

    High-pressure carbon monoxide (HiPco) reactor, developed at Rice University, is used to produce single-walled carbon nanotubes (SWNT) from gas-phase reactions of iron carbonyl and nickel carbonyl in carbon monoxide at high pressures (10 - 100 atm). Computational modeling is used to better understand the HiPco process. In the present model, decomposition of the precursor, metal cluster formation and growth, and carbon nanotube growth are addressed. Decomposition of precursor molecules is necessary to initiate metal cluster formation. The metal clusters serve as catalysts for carbon nanotube growth. Diameter of metal clusters and number of atoms in these clusters are some of the essential information for predicting carbon nanotube formation and growth, which is then modeled by Boudouard reaction (2CO ---> C(s) + CO2) with metal catalysts. The growth kinetic model is integrated with a two-dimensional axisymmetric reactor flow model to predict reactor performance.

  10. Models for naturally fractured, carbonate reservoir simulations

    SciTech Connect

    Tuncay, K.; Park, A.; Ozkan, G.; Zhan, X.; Ortoleva, P.; Hoak, T.; Sundberg, K.

    1998-12-31

    This report outlines the need for new tools for the simulation of fractured carbonate reservoirs. Several problems are identified that call for the development of new reservoir simulation physical models and numerical techniques. These include: karst and vuggy media wherein Darcy`s and traditional multi-phase flow laws do not apply; the need for predicting the preproduction state of fracturing and stress so that the later response of effective stress-dependent reservoirs can be predicted; and methods for predicting the fracturing and collapse of vuggy and karst reservoirs in response to draw-down pressure created during production. Specific research directions for addressing each problem are outlined and preliminary results are noted.

  11. Modelling Seasonal Carbon Dynamics on Fen Peatlands

    NASA Astrophysics Data System (ADS)

    Giebels, Michael; Beyer, Madlen; Augustin, Jürgen; Roppel, Mario; Juszczak, Radoszlav; Serba, Tomasz

    2010-05-01

    In Germany more than 99 % of fens have lost their carbon and nutrient sink function due to heavy drainage and agricultural land use especially during the last decades and thus resulted in compression and heavy peat loss (CHARMAN 2002; JOOSTEN & CLARKE 2002; SUCCOW & JOOSTEN 2001; AUGUSTIN et al. 1996; KUNTZE 1993). Therefore fen peatlands play an important part (4-5 %) in the national anthropogenic trace gas budget. But only a small part of drained and agricultural used fens in NE Germany can be restored. Knowledge of the influence of land use to trace gas exchange is important for mitigation of the climate impact of the anthropogenic peatland use. We study carbon exchanges between soil and atmosphere on several fen peatland use areas at different sites in NE-Germany. Our research covers peatlands of supposed strongly climate forcing land use (cornfield and intensive pasture) and of probably less forcing, alternative types (meadow and extensive pasture) as well as rewetted (formerly drained) areas and near-natural sites like a low-degraded fen and a wetted alder woodland. We measured trace gas fluxes with manual and automatic chambers in periodic routines since spring 2007. The used chamber technique bases on DROESLER (2005). In total we now do research at 22 sites situated in 5 different locations covering agricultural, varying states of rewetted and near-natural treatments. We present results of at least 2 years of measurements on our site of varying types of agricultural land use. There we found significant differences in the annual carbon balances depending on the genesis of the observed sites and the seasonal dynamics. Annual balances were constructed by applying single respiration and photosynthesis CO2 models for each measurement campaign. These models were based on LLOYD-TAYLOR (1994) and Michaelis-Menten-Kinetics respectively. Crosswise comparison of different site treatments combined with the seasonal environmental observations give good hints for the

  12. Accreting white dwarf models for type 1 supernovae. 1: Presupernova evolution and triggering mechanisms

    NASA Technical Reports Server (NTRS)

    Nomoto, K.

    1981-01-01

    As a plausible explosion model for a Type I supernova, the evolution of carbon-oxygen white dwarfs accreting helium in binary systems was investigated from the onset of accretion up to the point at which a thermonuclear explosion occurs. The relationship between the conditions in the binary system and the triggering mechanism for the supernova explosion is discussed, especially for the cases with relatively slow accretion rate. It is found that the growth of a helium zone on the carbon-oxygen core leads to a supernova explosion which is triggered either by the off-center helium detonation for slow and intermediate accretion rates or by the carbon deflagration for slow and rapid accretion rates. Both helium detonation and carbon deflagration are possible for the case of slow accretion, since in this case the initial mass of the white dwarf is an important parameter for determining the mode of ignition. Finally, various modes of building up the helium zone on the white dwarf, namely, direct transfer of helium from the companion star and the various types and strength of the hydrogen shell flashes are discussed in some detail.

  13. Model light curves of linear Type II supernovae

    SciTech Connect

    Swartz, D.A.; Wheeler, J.C.; Harkness, R.P. )

    1991-06-01

    Light curves computed from hydrodynamic models of supernova are compared graphically with the average observed B and V-band light curves of linear Type II supernovae. Models are based on the following explosion scenarios: carbon deflagration within a C + O core near the Chandrasekhar mass, electron-capture-induced core collapse of an O-Ne-Mg core of the Chandrasekhar mass, and collapse of an Fe core in a massive star. A range of envelope mass, initial radius, and composition is investigated. Only a narrow range of values of these parameters are consistent with observations. Within this narrow range, most of the observed light curve properties can be obtained in part, but none of the models can reproduce the entire light curve shape and absolute magnitude over the full 200 day comparison period. The observed lack of a plateau phase is explained in terms of a combination of small envelope mass and envelope helium enhancement. The final cobalt tail phase of the light curve can be reproduced only if the mass of explosively synthesized radioactive Ni-56 is small. The results presented here, in conjunction with the observed homogeneity among individual members of the supernova subclass, argue favorably for the O-Ne-Mg core collapse mechanism as an explanation for linear Type II supernovae. The Crab Nebula may arisen from such an explosion. Carbon deflagrations may lead to brighter events like SN 1979C. 62 refs.

  14. Above-belowground Carbon Allocation in Earth System Models

    NASA Astrophysics Data System (ADS)

    Song, X.; Hoffman, F. M.; Xu, X.; Iversen, C. M.; Kumar, J.

    2014-12-01

    Above-belowground carbon allocation is a critical mechanism for vegetation growth and its adaptation to the changing environment. The model representation of carbon allocation mechanisms significantly influence the simulated carbon stock and land-atmosphere exchange in Earth System Models (ESMs). Few previous studies, however, have investigated and evaluated the above-belowground carbon allocation in ESMs. In this study, we analyzed carbon density in belowground, total vegetation (above + belowground), and belowground:vegetation ratios of eleven ESMs from the Coupled Model Inter-comparison Project Phase 5 (CMIP5), which were used for the latest IPCC Assessment Report (AR5). Overall, results of ESMs are not consistent with observational data; both the belowground and total vegetation carbon density are underestimated in tropical/subtropical and temperate regions, while overestimated in arctic/subarctic regions. Moreover, the ratios of belowground:total vegetation carbon are underestimated in all three climate zones. The model-data discrepancies in carbon density vary substantially among biomes, while the ratios of belowground:total vegetation carbon are consistently underestimated across all major biomes expect tropical moist forests. This study indicates that the carbon allocation algorithms in current ESMs need to be improved to better simulate vegetation growth and its responses to global change.

  15. Carbon Dynamics and Export from Flooded Wetlands: A Modeling Approach

    EPA Science Inventory

    Described in this article is development and validation of a process based model for carbon cycling in flooded wetlands, called WetQual-C. The model considers various biogeochemical interactions affecting C cycling, greenhouse gas emissions, organic carbon export and retention. ...

  16. Simulated Carbon Cycling in a Model Microbial Mat.

    NASA Astrophysics Data System (ADS)

    Decker, K. L.; Potter, C. S.

    2006-12-01

    We present here the novel addition of detailed organic carbon cycling to our model of a hypersaline microbial mat ecosystem. This ecosystem model, MBGC (Microbial BioGeoChemistry), simulates carbon fixation through oxygenic and anoxygenic photosynthesis, and the release of C and electrons for microbial heterotrophs via cyanobacterial exudates and also via a pool of dead cells. Previously in MBGC, the organic portion of the carbon cycle was simplified into a black-box rate of accumulation of simple and complex organic compounds based on photosynthesis and mortality rates. We will discuss the novel inclusion of fermentation as a source of carbon and electrons for use in methanogenesis and sulfate reduction, and the influence of photorespiration on labile carbon exudation rates in cyanobacteria. We will also discuss the modeling of decomposition of dead cells and the ultimate release of inorganic carbon. The detailed modeling of organic carbon cycling is important to the accurate representation of inorganic carbon flux through the mat, as well as to accurate representation of growth models of the heterotrophs under different environmental conditions. Because the model ecosystem is an analog of ancient microbial mats that had huge impacts on the atmosphere of early earth, this MBGC can be useful as a biological component to either early earth models or models of other planets that potentially harbor life.

  17. Carbon Management In the Post-Cap-and-Trade Carbon Economy: An Economic Model for Limiting Climate Change by Managing Anthropogenic Carbon Flux

    NASA Astrophysics Data System (ADS)

    DeGroff, F. A.

    2013-05-01

    In this paper, we discuss an economic model for comprehensive carbon management that focuses on changes in carbon flux in the biosphere due to anthropogenic activity. The two unique features of the model include: 1. A shift in emphasis from primarily carbon emissions, toward changes in carbon flux, mainly carbon extraction, and 2. A carbon price vector (CPV) to express the value of changes in carbon flux, measured in changes in carbon sequestration, or carbon residence time. The key focus with the economic model is the degree to which carbon flux changes due to anthropogenic activity. The economic model has three steps: 1. The CPV metric is used to value all forms of carbon associated with any anthropogenic activity. In this paper, the CPV used is a logarithmic chronological scale to gauge expected carbon residence (or sequestration) time. In future economic models, the CPV may be expanded to include other factors to value carbon. 2. Whenever carbon changes form (and CPV) due to anthropogenic activity, a carbon toll is assessed as determined by the change in the CPV. The standard monetary unit for carbon tolls are carbon toll units, or CTUs. The CTUs multiplied by the quantity of carbon converted (QCC) provides the total carbon toll, or CT. For example, CT = (CTU /mole carbon) x (QCC moles carbon). 3. Whenever embodied carbon (EC) attributable to a good or service moves via trade to a jurisdiction with a different CPV metric, a carbon toll (CT) is assessed representing the CPV difference between the two jurisdictions. This economic model has three clear advantages. First, the carbon pricing and cost scheme use existing and generally accepted accounting methodologies to ensure the veracity and verifiability of carbon management efforts with minimal effort and expense using standard, existing auditing protocols. Implementing this economic model will not require any new, special, unique, or additional training, tools, or systems for any entity to achieve their minimum

  18. One-step reduced kinetics for lean hydrogen-air deflagration

    SciTech Connect

    Fernandez-Galisteo, D.; Sanchez, A.L.; Linan, A.; Williams, F.A.

    2009-05-15

    A short mechanism consisting of seven elementary reactions, of which only three are reversible, is shown to provide good predictions of hydrogen-air lean-flame burning velocities. This mechanism is further simplified by noting that over a range of conditions of practical interest, near the lean flammability limit all reaction intermediaries have small concentrations in the important thin reaction zone that controls the hydrogen-air laminar burning velocity and therefore follow a steady state approximation, while the main species react according to the global irreversible reaction 2H{sub 2} + O{sub 2} {yields} 2H{sub 2}O. An explicit expression for the non-Arrhenius rate of this one-step overall reaction for hydrogen oxidation is derived from the seven-step detailed mechanism, for application near the flammability limit. The one-step results are used to calculate flammability limits and burning velocities of planar deflagrations. Furthermore, implications concerning radical profiles in the deflagration and reasons for the success of the approximations are clarified. It is also demonstrated that adding only two irreversible direct recombination steps to the seven-step mechanism accurately reproduces burning velocities of the full detailed mechanism for all equivalence ratios at normal atmospheric conditions and that an eight-step detailed mechanism, constructed from the seven-step mechanism by adding to it the fourth reversible shuffle reaction, improves predictions of O and OH profiles. The new reduced-chemistry descriptions can be useful for both analytical and computational studies of lean hydrogen-air flames, decreasing required computation times. (author)

  19. The uncertainty of modeled soil carbon stock change for Finland

    NASA Astrophysics Data System (ADS)

    Lehtonen, Aleksi; Heikkinen, Juha

    2013-04-01

    Countries should report soil carbon stock changes of forests for Kyoto Protocol. Under Kyoto Protocol one can omit reporting of a carbon pool by verifying that the pool is not a source of carbon, which is especially tempting for the soil pool. However, verifying that soils of a nation are not a source of carbon in given year seems to be nearly impossible. The Yasso07 model was parametrized against various decomposition data using MCMC method. Soil carbon change in Finland between 1972 and 2011 were simulated with Yasso07 model using litter input data derived from the National Forest Inventory (NFI) and fellings time series. The uncertainties of biomass models, litter turnoverrates, NFI sampling and Yasso07 model were propagated with Monte Carlo simulations. Due to biomass estimation methods, uncertainties of various litter input sources (e.g. living trees, natural mortality and fellings) correlate strongly between each other. We show how original covariance matrices can be analytically combined and the amount of simulated components reduce greatly. While doing simulations we found that proper handling correlations may be even more essential than accurate estimates of standard errors. As a preliminary results, from the analysis we found that both Southern- and Northern Finland were soil carbon sinks, coefficient of variations (CV) varying 10%-25% when model was driven with long term constant weather data. When we applied annual weather data, soils were both sinks and sources of carbon and CVs varied from 10%-90%. This implies that the success of soil carbon sink verification depends on the weather data applied with models. Due to this fact IPCC should provide clear guidance for the weather data applied with soil carbon models and also for soil carbon sink verification. In the UNFCCC reporting carbon sinks of forest biomass have been typically averaged for five years - similar period for soil model weather data would be logical.

  20. Modelling the effects of grassland management on the carbon cycle

    NASA Astrophysics Data System (ADS)

    Rolinski, Susanne; Heinke, Jens; Weindl, Isabelle

    2014-05-01

    Management of grassland is assumed to have a substantial impact on the global carbon cycle and large potential for carbon sequestration. There are few global assessments of the respective fluxes. Within the well-established dynamic global vegetation model LPJmL, we implemented four major options for the management and harvest regimes of grasslands. This approach enables to study the feedbacks of biomass removal through harvest and grazing on grassland productivity. We demonstrate sensitivity of carbon fluxes and stocks under different grassland management options. This opens the possibility for the integration of observation-based estimates of carbon sequestration in global models.

  1. Effects of Corona, Spark and Surface Discharges on Ignition Delay and Deflagration-to-Detonation Times in Pulsed Detonation Engines (Postprint)

    DTIC Science & Technology

    2006-12-01

    AFRL-RZ-WP-TP-2008-2034 EFFECTS OF CORONA, SPARK AND SURFACE DISCHARGES ON IGNITION DELAY AND DEFLAGRATION-TO-DETONATION TIMES IN PULSED ...DETONATION ENGINES (POSTPRINT) Kenneth Busby, Jennifer Corrigan , Sheng-Tao Yu, Skip Williams, Campbell D. Carter, Frederick Schauer, John Hoke...DELAY AND DEFLAGRATION-TO-DETONATION TIMES IN PULSED DETONATION ENGINES (POSTPRINT) 5c. PROGRAM ELEMENT NUMBER 61102F 5d. PROJECT NUMBER 2308 5e

  2. Comparing global soil models to soil carbon profile databases

    NASA Astrophysics Data System (ADS)

    Koven, C. D.; Harden, J. W.; He, Y.; Lawrence, D. M.; Nave, L. E.; O'Donnell, J. A.; Treat, C.; Sulman, B. N.; Kane, E. S.

    2015-12-01

    As global soil models begin to consider the dynamics of carbon below the surface layers, it is crucial to assess the realism of these models. We focus on the vertical profiles of soil C predicted across multiple biomes form the Community Land Model (CLM4.5), using different values for a parameter that controls the rate of decomposition at depth versus at the surface, and compare these to observationally-derived diagnostics derived from the International Soil Carbon Database (ISCN) to assess the realism of model predictions of carbon depthattenuation, and the ability of observations to provide a constraint on rates of decomposition at depth.

  3. Kinetic viscoelasticity modeling applied to degradation during carbon-carbon composite processing

    NASA Astrophysics Data System (ADS)

    Drakonakis, Vassilis M.; Seferis, James C.; Wardle, Brian L.; Nam, Jae-Do; Papanicolaou, George C.; Doumanidis, Charalambos C.

    2010-04-01

    Kinetic viscoelasticity modeling has been successfully utilized to describe phenomena during cure of thermoset based carbon fiber reinforced matrices. The basic difference from classic viscoelasticity is that the fundamental material descriptors change as a result of reaction kinetics. Accordingly, we can apply the same concept for different kinetic phenomena with simultaneous curing and degradation. The application of this concept can easily be utilized in processing and manufacturing of carbon-carbon composites, where phenolic resin matrices are cured degraded and reinfused in a carbon fiber bed. This work provides a major step towards understanding complex viscoelastic phenomena that go beyond simple thermomechanical descriptors.

  4. Isotope-based Fluvial Organic Carbon (ISOFLOC) Model: Model formulation, sensitivity, and evaluation

    NASA Astrophysics Data System (ADS)

    Ford, William I.; Fox, James F.

    2015-06-01

    Watershed-scale carbon budgets remain poorly understood, in part due to inadequate simulation tools to assess in-stream carbon fate and transport. A new numerical model termed ISOtope-based FLuvial Organic Carbon (ISOFLOC) is formulated to simulate the fluvial organic carbon budget in watersheds where hydrologic, sediment transport, and biogeochemical processes are coupled to control benthic and transported carbon composition and flux. One ISOFLOC innovation is the formulation of new stable carbon isotope model subroutines that include isotope fractionation processes in order to estimate carbon isotope source, fate, and transport. A second innovation is the coupling of transfers between carbon pools, including algal particulate organic carbon, fine particulate and dissolved organic carbon, and particulate and dissolved inorganic carbon, to simulate the carbon cycle in a comprehensive manner beyond that of existing watershed water quality models. ISOFLOC was tested and verified in a low-gradient, agriculturally impacted stream. Results of a global sensitivity analysis suggested the isotope response variable had unique sensitivity to the coupled interaction between fluvial shear resistance of algal biomass and the concentration of dissolved inorganic carbon. Model calibration and validation suggested good agreement at event, seasonal, and annual timescales. Multiobjective uncertainty analysis suggested inclusion of the carbon stable isotope routine reduced uncertainty by 80% for algal particulate organic carbon flux estimates.

  5. Response Of Ocean Carbon Export To Different Model Algorithms

    NASA Astrophysics Data System (ADS)

    Caglar Yumruktepe, Veli; Salihoglu, Baris; Kideys, Ahmet E.

    2013-04-01

    Effects of climate change on the biological carbon pump (BCP) and vice-versa, and the influence of change in ecosystem structure on the dynamics of BCP are vital topics to understand the role of oceans in the global carbon cycle and sequestration of greenhouse gases. Construction of a complete carbon budget, requires better understanding of air-sea exchanges and the processes controlling the vertical and horizontal transport of carbon in the ocean, particularly the biological carbon pump. Improved parameterization of carbon sequestration within ecosystem models is vital to better understand and predict changes in the global carbon cycle. However, due to the complexity of processes controlling particle aggregation, sinking and decomposition, existing ecosystem models necessarily parameterize carbon sequestration using simple algorithms. For this reason, the primary aim of this study is to provide new parameterizations of the downward flux of organic carbon, suitable for inclusion in numerical models. The study area was chosen to be the North Atlantic Basin (NA) and the surrounding shelf seas. In the scope of this study, first, the skill of existing models in representing particle fluxes were compared theoretically. The unique algorithms used in three state-of-the art ecosystem models ERSEM, PISCES and MEDUSA have been compared and tested against observational data collected at the PAP mooring site. For testing purposes, algorithms were inserted into a common 1D pelagic ecosystem model. Following comparison of existing algorithms, new experimental results obtained from targeted mesocosm experiments and open ocean observations, will be utilized to develop improved formulations. New algorithms will be compared to existing model formulations using a standard validation data set complied within the framework of BASIN. In order to assess algorithm response under differing hydrographic environments, each set of algorithms will be tested within a 1D framework at three sites

  6. CarbonTracker-Lagrange: A model-data assimilation system for North American carbon flux estimates

    NASA Astrophysics Data System (ADS)

    He, Wei; Chen, Huilin; van der Velde, Ivar; Andrews, Arlyn; Sweeney, Colm; Baker, Ian; Ju, Weimin; van der Laan-Luijkx, Ingrid; Tans, Pieter; Peters, Wouter

    2016-04-01

    Understanding the regional carbon fluxes is of great importance for climate-related studies. To derive these carbon fluxes, atmospheric inverse modeling methods are often used. Different from global inverse modeling, regional studies need to deal with lateral boundary conditions (BCs) at the outer atmospheric domain studied. Also, regional inverse modeling systems typically use a higher spatial resolution and can be more computation-intensive. In this study, we implement a regional inverse modeling system for atmospheric CO₂ based on the CarbonTracker framework. We combine it with a high-resolution Lagrangian transport model, the Stochastic Time-Inverted Lagrangian Transport model driven by the Weather Forecast and Research meteorological fields (WRF-STILT). The new system uses independent information from aircraft CO₂ profiles to optimize lateral BCs, while simultaneously optimizing biosphere fluxes with near-surface CO₂ observations from tall towers. This Lagrangian transport model with precalculated footprints is computational more efficient than using an Eulerian model. We take SiBCASA biosphere model results as prior NEE from the terrestrial biosphere. Three different lateral BCs, derived from CarbonTracker North America mole fraction fields, CarbonTracker Europe mole fraction fields and an empirical BC from NOAA aircraft profiles, are employed to investigate the influence of BCs. To estimate the uncertainties of the optimized fluxes from the system and to determine the impacts of system setup on biosphere flux covariances, BC uncertainties and model-data mismatches, we tested various prior biosphere fluxes and BCs. To estimate the transport uncertainties, we also tested an alternative Lagrangian transport model Hybrid Single Particle Lagrangian Integrated Trajectory Model driven by the North American Mesoscale Forecast System meteorological fields (HYSPLIT-NAM12). Based on the above tests, we achieved an ensemble of inverse estimates from our system

  7. Integrating microbial diversity in soil carbon dynamic models parameters

    NASA Astrophysics Data System (ADS)

    Louis, Benjamin; Menasseri-Aubry, Safya; Leterme, Philippe; Maron, Pierre-Alain; Viaud, Valérie

    2015-04-01

    Faced with the numerous concerns about soil carbon dynamic, a large quantity of carbon dynamic models has been developed during the last century. These models are mainly in the form of deterministic compartment models with carbon fluxes between compartments represented by ordinary differential equations. Nowadays, lots of them consider the microbial biomass as a compartment of the soil organic matter (carbon quantity). But the amount of microbial carbon is rarely used in the differential equations of the models as a limiting factor. Additionally, microbial diversity and community composition are mostly missing, although last advances in soil microbial analytical methods during the two past decades have shown that these characteristics play also a significant role in soil carbon dynamic. As soil microorganisms are essential drivers of soil carbon dynamic, the question about explicitly integrating their role have become a key issue in soil carbon dynamic models development. Some interesting attempts can be found and are dominated by the incorporation of several compartments of different groups of microbial biomass in terms of functional traits and/or biogeochemical compositions to integrate microbial diversity. However, these models are basically heuristic models in the sense that they are used to test hypotheses through simulations. They have rarely been confronted to real data and thus cannot be used to predict realistic situations. The objective of this work was to empirically integrate microbial diversity in a simple model of carbon dynamic through statistical modelling of the model parameters. This work is based on available experimental results coming from a French National Research Agency program called DIMIMOS. Briefly, 13C-labelled wheat residue has been incorporated into soils with different pedological characteristics and land use history. Then, the soils have been incubated during 104 days and labelled and non-labelled CO2 fluxes have been measured at ten

  8. A global predictive model of carbon in mangrove soils

    NASA Astrophysics Data System (ADS)

    Jardine, Sunny L.; Siikamäki, Juha V.

    2014-10-01

    Mangroves are among the most threatened and rapidly vanishing natural environments worldwide. They provide a wide range of ecosystem services and have recently become known for their exceptional capacity to store carbon. Research shows that mangrove conservation may be a low-cost means of reducing CO2 emissions. Accordingly, there is growing interest in developing market mechanisms to credit mangrove conservation projects for associated CO2 emissions reductions. These efforts depend on robust and readily applicable, but currently unavailable, localized estimates of soil carbon. Here, we use over 900 soil carbon measurements, collected in 28 countries by 61 independent studies, to develop a global predictive model for mangrove soil carbon. Using climatological and locational data as predictors, we explore several predictive modeling alternatives, including machine-learning methods. With our predictive model, we construct a global dataset of estimated soil carbon concentrations and stocks on a high-resolution grid (5 arc min). We estimate that the global mangrove soil carbon stock is 5.00 ± 0.94 Pg C (assuming a 1 meter soil depth) and find this stock is highly variable over space. The amount of carbon per hectare in the world’s most carbon-rich mangroves (approximately 703 ± 38 Mg C ha-1) is roughly a 2.6 ± 0.14 times the amount of carbon per hectare in the world’s most carbon-poor mangroves (approximately 272 ± 49 Mg C ha-1). Considerable within country variation in mangrove soil carbon also exists. In Indonesia, the country with the largest mangrove soil carbon stock, we estimate that the most carbon-rich mangroves contain 1.5 ± 0.12 times as much carbon per hectare as the most carbon-poor mangroves. Our results can aid in evaluating benefits from mangrove conservation and designing mangrove conservation policy. Additionally, the results can be used to project changes in mangrove soil carbon stocks based on changing climatological predictors, e.g. to

  9. Observatory enabled modeling of the Global Carbon Cycle

    NASA Astrophysics Data System (ADS)

    Schimel, D.; Fox, A. M.; Moore, D. J.; Sacks, W. J.; Berukoff, S. J.

    2011-12-01

    A central challenge to global modeling of the terrestrial carbon cycle is the scaling of organism-scale characteristics to large regions. Emerging ground- and space-based global observatories will allow coupling observations directly to state and parameter values in a state-of-the-art coupled carbon climate model. Model-data fusion will qualitatively improve understanding and forecasting of interannual to centennial scale responses of terrestrial ecosystems and carbon cycle to global environmental change. This modeling study will use the baseline measures of global terrestrial ecosystem biochemical composition to reduce uncertainty in forecasting E&CC responses to climate and land-use change. The NCAR Community Land Model (Community Land Model - Carbon/Nitrogen or CLM-CN) simulates carbon, water and energy exchange at the land surface and includes detailed parameters governing plant-mediated fluxes and storage NEON and NCAR are developing a data assimilation version of the CLM, designed to work with new observatory data. Data requirements of CLM are quite different from earlier generation land surface models because the nitrogen cycle is explicitly simulated. Nitrogen concentrations regulate plant photosynthesis and decomposition of dead organic matter but their within biome and global distributions are poorly constrained by observations. Developing a Observatory-enabled version of the CLM, and the cyberinfrastructure to support it creates a very different set of requirements for modeling and observatory information systems than traditional approaches. In the talk, we will discuss briefly the science of carbon data assimilation and the observing requirements it generates.

  10. Toward more realistic projections of soil carbon dynamics by Earth system models: SOIL CARBON MODELING

    SciTech Connect

    Luo, Yiqi; Ahlström, Anders; Allison, Steven D.; Batjes, Niels H.; Brovkin, Victor; Carvalhais, Nuno; Chappell, Adrian; Ciais, Philippe; Davidson, Eric A.; Finzi, Adien; Georgiou, Katerina; Guenet, Bertrand; Hararuk, Oleksandra; Harden, Jennifer W.; He, Yujie; Hopkins, Francesca; Jiang, Lifen; Koven, Charlie; Jackson, Robert B.; Jones, Chris D.; Lara, Mark J.; Liang, Junyi; McGuire, A. David; Parton, William; Peng, Changhui; Randerson, James T.; Salazar, Alejandro; Sierra, Carlos A.; Smith, Matthew J.; Tian, Hanqin; Todd-Brown, Katherine E. O.; Torn, Margaret; van Groenigen, Kees Jan; Wang, Ying Ping; West, Tristram O.; Wei, Yaxing; Wieder, William R.; Xia, Jianyang; Xu, Xia; Xu, Xiaofeng; Zhou, Tao

    2016-01-21

    Soil carbon (C) is a critical component of Earth system models (ESMs) and its diverse representations are a major source of the large spread across models in the terrestrial C sink from the 3rd to 5th assessment reports of the Intergovernmental Panel on Climate Change (IPCC). Improving soil C projections is of a high priority for Earth system modeling in the future IPCC and other assessments. To achieve this goal, we suggest that (1) model structures should reflect real-world processes, (2) parameters should be calibrated to match model outputs with observations, and (3) external forcing variables should accurately prescribe the environmental conditions that soils experience. Firstly, most soil C cycle models simulate C input from litter production and C release through decomposition. The latter process has traditionally been represented by 1st-order decay functions, regulated primarily by temperature, moisture, litter quality, and soil texture. While this formulation well captures macroscopic SOC dynamics, better understanding is needed of their underlying mechanisms as related to microbial processes, depth-dependent environmental controls, and other processes that strongly affect soil C dynamics. Secondly, incomplete use of observations in model parameterization is a major cause of bias in soil C projections from ESMs. Optimal parameter calibration with both pool- and flux-based datasets through data assimilation is among the highest priorities for near-term research to reduce biases among ESMs. Thirdly, external variables are represented inconsistently among ESMs, leading to differences in modeled soil C dynamics. We recommend the implementation of traceability analyses to identify how external variables and model parameterizations influence SOC dynamics in different ESMs. Overall, projections of the terrestrial C sink can be substantially improved when reliable datasets are available to select the most representative model structure, constrain parameters, and

  11. Frequency of deflagration in the in-tank precipitation process tanks due to loss of nitrogen purge system. Revision 2

    SciTech Connect

    Jansen, J.M.; Mason, C.L.; Olsen, L.M.; Shapiro, B.J.; Gupta, M.K.; Britt, T.E.

    1994-01-01

    High-level liquid wastes (HLLW) from the processing of nuclear material at the Savannah River Site (SRS) are stored in large tanks in the F- and H-Area tank farms. The In-Tank Precipitation (ITP) process is one step in the processing and disposal of HLLW. The process hazards review for the ITP identified the need to implement provisions that minimize deflagration/explosion hazards associated with the process. The objective of this analysis is to determine the frequency of a deflagration in Tank 48 and/or 49 due to nitrogen purge system failures (including external events) and coincident ignition source. A fault tree of the nitrogen purge system coupled with ignition source probability is used to identify dominant system failures that contribute to the frequency of deflagration. These system failures are then used in the recovery analysis. Several human actions, recovery actions, and repair activities are identified that reduce total frequency. The actions are analyzed and quantified as part of a Human Reliability Analysis (HRA). The probabilities of failure of these actions are applied to the fault tree cutsets and the event trees.

  12. Model of carbon cycling in planktonic food webs

    SciTech Connect

    Connolly, J.P.; Coffin, R.B.

    1995-10-01

    A mathematical model of carbon fluxes through the heterotrophic microbial food web is developed from a synthesis of laboratory and field research. The basis of the model is the segregation of organic carbon into lability classes that are defined by bioassay experiments. Bacteria, phytoplankton, three trophic levels of zooplankton, and dissolved organic carbon (DOC) and particulate organic carbon (POC) are modeled. The descriptions of bacterial growth and utilization of the various classes of substrate were treated as universal constants in the application of the model to three distinct ecosystems, ranging from oligotrophic to highly eutrophic. The successful application of the model to these diverse ecosystems supports the basic validity of the description of the microbial food web and the dynamics of carbon flux. The model indicates that the dynamics of bacteria and protozoan zooplankton production govern the rates of oxidation of carbon entering the water column. Explicit consideration of these groups would improve the capability of eutrophication models to predict dissolved oxygen dynamics, particularly when projecting responses to loading changes.

  13. Atomistic modeling of carbon Cottrell atmospheres in bcc iron.

    PubMed

    Veiga, R G A; Perez, M; Becquart, C S; Domain, C

    2013-01-16

    Atomistic simulations with an EAM interatomic potential were used to evaluate carbon-dislocation binding energies in bcc iron. These binding energies were then used to calculate the occupation probability of interstitial sites in the vicinity of an edge and a screw dislocation. The saturation concentration due to carbon-carbon interactions was also estimated by atomistic simulations in the dislocation core and taken as an upper limit for carbon concentration in a Cottrell atmosphere. We obtained a maximum concentration of 10 ± 1 at.% C at T = 0 K within a radius of 1 nm from the dislocation lines. The spatial carbon distributions around the line defects revealed that the Cottrell atmosphere associated with an edge dislocation is denser than that around a screw dislocation, in contrast with the predictions of the classical model of Cochardt and colleagues. Moreover, the present Cottrell atmosphere model is in reasonable quantitative accord with the three-dimensional atom probe data available in the literature.

  14. Multiwalled Carbon Nanotube Deposition on Model Environmental Surfaces

    EPA Science Inventory

    Deposition of multiwalled carbon nanotubes (MWNTs) on model environmental surfaces was investigated using a quartz crystal microbalance with dissipation monitoring (QCM-D). Deposition behaviors of MWNTs on positively and negatively charged surfaces were in good agreement with Der...

  15. Review and developments of dissemination models for airborne carbon fibers

    NASA Technical Reports Server (NTRS)

    Elber, W.

    1980-01-01

    Dissemination prediction models were reviewed to determine their applicability to a risk assessment for airborne carbon fibers. The review showed that the Gaussian prediction models using partial reflection at the ground agreed very closely with a more elaborate diffusion analysis developed for the study. For distances beyond 10,000 m the Gaussian models predicted a slower fall-off in exposure levels than the diffusion models. This resulting level of conservatism was preferred for the carbon fiber risk assessment. The results also showed that the perfect vertical-mixing models developed herein agreed very closely with the diffusion analysis for all except the most stable atmospheric conditions.

  16. Global Carbon Cycle Modeling in GISS ModelE2 GCM

    NASA Astrophysics Data System (ADS)

    Aleinov, I. D.; Kiang, N. Y.; Romanou, A.; Romanski, J.

    2014-12-01

    Consistent and accurate modeling of the Global Carbon Cycle remains one of the main challenges for the Earth System Models. NASA Goddard Institute for Space Studies (GISS) ModelE2 General Circulation Model (GCM) was recently equipped with a complete Global Carbon Cycle algorithm, consisting of three integrated components: Ent Terrestrial Biosphere Model (Ent TBM), Ocean Biogeochemistry Module and atmospheric CO2 tracer. Ent TBM provides CO2 fluxes from the land surface to the atmosphere. Its biophysics utilizes the well-known photosynthesis functions of Farqhuar, von Caemmerer, and Berry and Farqhuar and von Caemmerer, and stomatal conductance of Ball and Berry. Its phenology is based on temperature, drought, and radiation fluxes, and growth is controlled via allocation of carbon from labile carbohydrate reserve storage to different plant components. Soil biogeochemistry is based on the Carnegie-Ames-Stanford (CASA) model of Potter et al. Ocean biogeochemistry module (the NASA Ocean Biogeochemistry Model, NOBM), computes prognostic distributions for biotic and abiotic fields that influence the air-sea flux of CO2 and the deep ocean carbon transport and storage. Atmospheric CO2 is advected with a quadratic upstream algorithm implemented in atmospheric part of ModelE2. Here we present the results for pre-industrial equilibrium and modern transient simulations and provide comparison to available observations. We also discuss the process of validation and tuning of particular algorithms used in the model.

  17. Modelling carbon in permafrost soils from preindustrial to the future

    NASA Astrophysics Data System (ADS)

    Kleinen, T.; Brovkin, V.

    2015-12-01

    The carbon release from thawing permafrost soils constitutes one of the large uncertainties in the carbon cycle under future climate change. Analysing the problem further, this uncertainty results from an uncertainty about the total amount of C that is stored in frozen soils, combined with an uncertainty about the areas where soils might thaw under a particular climate change scenario, as well as an uncertainty about the decomposition product since some of the decomposed C might result the release of CH4 as well as CO2. We use the land surface model JSBACH, part of the Max Planck Institute Earth System Model MPI-ESM, to quantify the release of soil carbon from thawing permafrost soils. We have extended the soil carbon model YASSO by introducing carbon storages in frozen soils, with increasing fractions of C being available to decomposition as permafrost thaws. In order to quantify the amount of carbon released as CH4, as opposed to CO2, we have also implemented a TOPMODEL-based wetland scheme, as well as anaerobic C decomposition and methane transport. We initialise the soil C pools for the preindustrial climate state from the Northern Circumpolar Soil Carbon Database to insure initial C pool sizes close to measurements. We then determine changes in soil C storage in transient model experiments following historical and future climate changes under RCP 8.5. Based on these experiments, we quantify the greenhouse gas release from permafrost C decomposition, determining both CH4 and CO2 emissions.

  18. In Situ Imaging of Particle Formation and Dynamics in Reactive Material Deflagrations

    SciTech Connect

    Sullivan, Kyle T.

    2016-12-12

    Reactive composites utilizing nanoparticles have been the topic of extensive research in the past two decades. The driver for this is that, as the particle size is decreased, the mixing scale between constituents is greatly reduced, which has long thought to increase the rate of chemical reaction. While a general trend of increased reactivity has been seen for metal / metal oxide, or thermite, reactive materials, some results have demonstrated diminishing returns as the particle size is further decreased. Recent results have shown that nanoparticles, which are typically aggregates of several primary particles, can undergo very rapid coalescence to form micron particles once a critical temperature is reached. Experiments on this topic to date have been performed on very small sample masses, and sometimes under vacuum; conditions which are not representative of the environment during a deflagration. In this feasibility study, a custom burn tube was used to ignite and react 100 mg powdered thermite samples in long acrylic tubes. X-ray imaging at APS Sector 32 was performed to image the particle field as a function of distance and time as the rarefied particle cloud expanded and flowed down the tube. Five different thermite formulations were investigated, Al / CuO, Al / Fe2O3, Al / SnO2, Al / WO3, and Al / Fe2O3, along with Al / CuO formulations with different sizes of Al particles ranging from 80 nm to approximate 10 μm. The results clearly show that the sample powder reacts and unloads into a distribution of larger micron-scale particles (~5-500 μm), which continue to react and propagate as the particle-laden stream flows down the tube. This was the first direct imaging of the particle field during a thermite deflagration, and gives significant insight into the evolution of reactants to products. Analysis of phase is currently being pursued to determine whether this method can be used to extract

  19. Empirically Modeling Carbon Fluxes over the Northern Great Plains Grasslands

    NASA Astrophysics Data System (ADS)

    Zhang, L.; Wylie, B. K.; Ji, L.; Gilmanov, T.; Tieszen, L. L.

    2007-12-01

    Grasslands cover nearly one-fifth of the global terrestrial surface and store most of their carbon below ground. The grassland ecosystem in the Great Plains occupies over 1.5 million km2 of land area and is the primary resource for livestock production in North America. However, the contributions of grasslands to local and regional carbon budgets remain uncertain due to the lack of carbon flux data for the expansive grassland ecosystems under various managements, land uses, and climate variability. A quantitative understanding of carbon fluxes across these systems is essential for developing regional, national, and global carbon budgets and providing guidance to policy makers and managers when substantial conversion to biofuels are implemented. Additionally, these estimates will provide insights into how the grassland ecosystem will respond to future climate and what systems are sustainable and offer net carbon sinks. This knowledge base and decisions support tools are needed for developing land management strategies for the region under a variety of environmental conditions and land use options. In the past, we used a remote sensing-based piecewise regression (PWR) model to estimate the grassland carbon fluxes in the northern Great Plains using the 1-km SPOT VEGETATION normalized difference vegetation index (NDVI) data. We estimated the carbon fluxes through integrated spatial databases and remotely sensed extrapolations of flux tower data to regional scales. The PWR model was applied to derive an empirical relationship between environmental variables and tower-based measurements. The PWR equations were then applied through time and space to estimate carbon fluxes across the study area at 1-km resolution. We now improve this modeling approach by 1) using Moderate Resolution Imaging Spectroradiometer (MODIS) data with higher temporal, spatial, and spectral resolutions (8-day, 500-m, and 7-band) as input; 2) incorporating the actual vegetation evapotranspiration

  20. Isotropic simple global carbon model: The use of carbon isotopes for model development. Ph.D. Thesis

    SciTech Connect

    Kwon, O.Y.

    1994-01-01

    Carbon dioxide is a major greenhouse gas in the atmosphere. Anthropogenic CO2 emissions from fossil fuel use and deforestation have perturbed the natural global carbon cycle. As a result, the atmospheric CO2 concentration has rapidly increased, causing the potential for global warming. A twenty four compartment isotopic simple global carbon model (IS-GCM) has been developed for scenario analysis, research needs prioritization, and for recommending strategies to stabilize the atmospheric CO2 level. CO2 fertilization and temperature effects are included in the terrestrial biosphere, and the ocean includes inorganic chemistry which, with ocean water circulation, enables the calculation of time-variable oceanic carbon uptake. The eight compartment simple global carbon model (SGCM) served as the basis of the ISGCM model development. Carbon isotopes, C-13 (stable carbon) and C-14(radiocarbon), were used for model constraints as well as results from SGCM that led to multiple compartments in ISGCM. The ISGCM was calibrated with the observed CO2 concentrations, delta C-13, and Delta C-14 in the atmosphere, Delta C-14 in the soil and Delta C-14 in the ocean. Also, ISGCM was constrained by literature values of oceanic carbon uptake (gas exchange) and CO2 emissions from deforestation. Inputs (forcing functions in the model) were the CO2 emissions from fossil fuel use and deforestation. Scenario analysis, together with emission strategies tests, indicate that urgent action to reduce anthropogenic emissions would need to be taken to stabilize atmospheric CO2. Results showed that quantitatively, forest management is just as effective as the reduction of fossil fuel emissions in controlling atmospheric CO2. Sensitivity analysis of temperature feedback suggests that future global warming would cause an additional perturbation in the global-carbon cycle, resulting in depletion of soil organic carbon, accumulation of plant biomass, and the increase of atmospheric CO2.

  1. Traceable components of terrestrial carbon storage capacity in biogeochemical models.

    PubMed

    Xia, Jianyang; Luo, Yiqi; Wang, Ying-Ping; Hararuk, Oleksandra

    2013-07-01

    Biogeochemical models have been developed to account for more and more processes, making their complex structures difficult to be understood and evaluated. Here, we introduce a framework to decompose a complex land model into traceable components based on mutually independent properties of modeled biogeochemical processes. The framework traces modeled ecosystem carbon storage capacity (Xss ) to (i) a product of net primary productivity (NPP) and ecosystem residence time (τE ). The latter τE can be further traced to (ii) baseline carbon residence times (τ'E ), which are usually preset in a model according to vegetation characteristics and soil types, (iii) environmental scalars (ξ), including temperature and water scalars, and (iv) environmental forcings. We applied the framework to the Australian Community Atmosphere Biosphere Land Exchange (CABLE) model to help understand differences in modeled carbon processes among biomes and as influenced by nitrogen processes. With the climate forcings of 1990, modeled evergreen broadleaf forest had the highest NPP among the nine biomes and moderate residence times, leading to a relatively high carbon storage capacity (31.5 kg cm(-2) ). Deciduous needle leaf forest had the longest residence time (163.3 years) and low NPP, leading to moderate carbon storage (18.3 kg cm(-2) ). The longest τE in deciduous needle leaf forest was ascribed to its longest τ'E (43.6 years) and small ξ (0.14 on litter/soil carbon decay rates). Incorporation of nitrogen processes into the CABLE model decreased Xss in all biomes via reduced NPP (e.g., -12.1% in shrub land) or decreased τE or both. The decreases in τE resulted from nitrogen-induced changes in τ'E (e.g., -26.7% in C3 grassland) through carbon allocation among plant pools and transfers from plant to litter and soil pools. Our framework can be used to facilitate data model comparisons and model intercomparisons via tracking a few traceable components for all terrestrial carbon

  2. Measurement of the flow properties within a copper tube containing a deflagrating explosive

    SciTech Connect

    Hill, Larry G; Morris, John S; Jackson, Scott I

    2009-01-01

    We report on the propagation of deflagration waves in the high explosive (HE) PBX 9501 (95 wt % HMX, 5 wt% binder). Our test configuration, which we call the def1agration cylinder test (DFCT), is fashioned after the detonation cylinder test (DTCT) that is used to calibrate the JWL detonation product equation of state (EOS). In the DFCT, the HE is heated to a uniform slightly subcritical temperature, and is ignited at one end by a hot wire. For some configurations and initial conditions, we observe a quasi-steady wave that flares the tube into a funnel shape, stretching it to the point of rupture. This behavior is qualitatively like the DTCT, such that, by invoking certain additional approximations that we discuss, its behavior can be analyzed by the same methods. We employ an analysis proposed by G.I. Taylor to infer the pressure-volume curve for the burning, expanding flow. By comparing this result to the EOS of HMX product gas alone. we infer that only {approx}20 wt% of the HMX has burned at tube rupture. This result confirms pre-existing observations about the role of convective burning in HMX cookoff explosions.

  3. Mechanisms of deflagration-to-detonation transition under initiation by high-voltage nanosecond discharges

    SciTech Connect

    Rakitin, Aleksandr E.; Starikovskii, Andrei Yu.

    2008-10-15

    An experimental study of detonation initiation in a stoichiometric propane-oxygen mixture by a high-voltage nanosecond gas discharge was performed in a detonation tube with a single-cell discharge chamber. The discharge study performed in this geometry showed that three modes of discharge development were realized under the experimental conditions: a spark mode with high-temperature channel formation, a streamer mode with nonuniform gas excitation, and a transient mode. Under spark and transient initiation, simultaneous ignition inside the discharge channel occurred, forming a shock wave and leading to a conventional deflagration-to-detonation transition (DDT) via an adiabatic explosion. The DDT length and time at 1 bar of initial pressure in the square smooth tube with a 20-mm transverse size amounted to 50 mm and 50{mu}s, respectively. The streamer mode of discharge development at an initial pressure of 1 bar resulted in nonuniform mixture excitation and a successful DDT via a gradient mechanism, which was confirmed by high-speed time resolved ICCD imaging. The gradient mechanism implied a longer DDT time of 150{mu}s, a DDT run-up distance of 50 mm, and an initiation energy of 1 J, which is two orders of magnitude less than the direct initiation energy for a planar detonation under these conditions. (author)

  4. Numerical simulation of deflagration-to-detonation transition by coupled flame tracking - particle method

    NASA Astrophysics Data System (ADS)

    Frolov, S. M.; Ivanov, V. S.

    2011-10-01

    The objective of the study outlined in this paper was to develop the computationally efficient algorithm for multidimensional numerical simulation of deflagration-to-detonation transition (DDT) in gas-fueled airbreathing pulse detonation engine (PDE). It is implied that the availability of such an algorithm will allow for more realistic estimates of PDE performances (specific impulse, thrust, etc.) than those obtained with the presumption of direct detonation initiation. The new algorithm is based on the coupled Flame Tracking - Particle (FTP) method implemented into the standard Computational Fluid Dynamics (CFD) code solving the Reynolds Averaged Navier-Stokes equations by the control-volume technique. The coupled methodology has been applied to the two-dimensional (2D) numerical simulation of repeatable DDT in a propane-fueled PDE at Mach 3.0 flight conditions at altitudes 9.3 and 16 km. The fuel-based specific impulse was estimated as 1700-1800 s. The DDT was shown to be a feasible approach for practical PDEs.

  5. First-Principles Petascale Simulations for Predicting Deflagration to Detonation Transition in Hydrogen-Oxygen Mixtures

    SciTech Connect

    Khokhlov, Alexei; Austin, Joanna; Bacon, C.

    2015-03-02

    Hydrogen has emerged as an important fuel across a range of industries as a means of achieving energy independence and to reduce emissions. DDT and the resulting detonation waves in hydrogen-oxygen can have especially catastrophic consequences in a variety of industrial and energy producing settings related to hydrogen. First-principles numerical simulations of flame acceleration and DDT are required for an in-depth understanding of the phenomena and facilitating design of safe hydrogen systems. The goals of this project were (1) to develop first-principles petascale reactive flow Navier-Stokes simulation code for predicting gaseous high-speed combustion and detonation (HSCD) phenomena and (2) demonstrate feasibility of first-principles simulations of rapid flame acceleration and deflagration-to-detonation transition (DDT) in stoichiometric hydrogen-oxygen mixture (2H2 + O2). The goals of the project have been accomplished. We have developed a novel numerical simulation code, named HSCD, for performing first-principles direct numerical simulations of high-speed hydrogen combustion. We carried out a series of validating numerical simulations of inert and reactive shock reflection experiments in shock tubes. We then performed a pilot numerical simulation of flame acceleration in a long pipe. The simulation showed the transition of the rapidly accelerating flame into a detonation. The DDT simulations were performed using BG/Q Mira at the Argonne National Laboratory, currently the fourth fastest super-computer in the world.

  6. Practical modeling approaches for geological storage of carbon dioxide.

    PubMed

    Celia, Michael A; Nordbotten, Jan M

    2009-01-01

    The relentless increase of anthropogenic carbon dioxide emissions and the associated concerns about climate change have motivated new ideas about carbon-constrained energy production. One technological approach to control carbon dioxide emissions is carbon capture and storage, or CCS. The underlying idea of CCS is to capture the carbon before it emitted to the atmosphere and store it somewhere other than the atmosphere. Currently, the most attractive option for large-scale storage is in deep geological formations, including deep saline aquifers. Many physical and chemical processes can affect the fate of the injected CO2, with the overall mathematical description of the complete system becoming very complex. Our approach to the problem has been to reduce complexity as much as possible, so that we can focus on the few truly important questions about the injected CO2, most of which involve leakage out of the injection formation. Toward this end, we have established a set of simplifying assumptions that allow us to derive simplified models, which can be solved numerically or, for the most simplified cases, analytically. These simplified models allow calculation of solutions to large-scale injection and leakage problems in ways that traditional multicomponent multiphase simulators cannot. Such simplified models provide important tools for system analysis, screening calculations, and overall risk-assessment calculations. We believe this is a practical and important approach to model geological storage of carbon dioxide. It also serves as an example of how complex systems can be simplified while retaining the essential physics of the problem.

  7. Nano-QSPR Modelling of Carbon-Based Nanomaterials Properties.

    PubMed

    Salahinejad, Maryam

    2015-01-01

    Evaluation of chemical and physical properties of nanomaterials is of critical importance in a broad variety of nanotechnology researches. There is an increasing interest in computational methods capable of predicting properties of new and modified nanomaterials in the absence of time-consuming and costly experimental studies. Quantitative Structure- Property Relationship (QSPR) approaches are progressive tools in modelling and prediction of many physicochemical properties of nanomaterials, which are also known as nano-QSPR. This review provides insight into the concepts, challenges and applications of QSPR modelling of carbon-based nanomaterials. First, we try to provide a general overview of QSPR implications, by focusing on the difficulties and limitations on each step of the QSPR modelling of nanomaterials. Then follows with the most significant achievements of QSPR methods in modelling of carbon-based nanomaterials properties and their recent applications to generate predictive models. This review specifically addresses the QSPR modelling of physicochemical properties of carbon-based nanomaterials including fullerenes, single-walled carbon nanotube (SWNT), multi-walled carbon nanotube (MWNT) and graphene.

  8. A carbon balance model for the great dismal swamp ecosystem

    USGS Publications Warehouse

    Sleeter, Rachel; Sleeter, Benjamin M.; Williams, Brianna; Hogan, Dianna; Hawbaker, Todd J.; Zhu, Zhiliang

    2017-01-01

    BackgroundCarbon storage potential has become an important consideration for land management and planning in the United States. The ability to assess ecosystem carbon balance can help land managers understand the benefits and tradeoffs between different management strategies. This paper demonstrates an application of the Land Use and Carbon Scenario Simulator (LUCAS) model developed for local-scale land management at the Great Dismal Swamp National Wildlife Refuge. We estimate the net ecosystem carbon balance by considering past ecosystem disturbances resulting from storm damage, fire, and land management actions including hydrologic inundation, vegetation clearing, and replanting.ResultsWe modeled the annual ecosystem carbon stock and flow rates for the 30-year historic time period of 1985–2015, using age-structured forest growth curves and known data for disturbance events and management activities. The 30-year total net ecosystem production was estimated to be a net sink of 0.97 Tg C. When a hurricane and six historic fire events were considered in the simulation, the Great Dismal Swamp became a net source of 0.89 Tg C. The cumulative above and below-ground carbon loss estimated from the South One and Lateral West fire events totaled 1.70 Tg C, while management activities removed an additional 0.01 Tg C. The carbon loss in below-ground biomass alone totaled 1.38 Tg C, with the balance (0.31 Tg C) coming from above-ground biomass and detritus.ConclusionsNatural disturbances substantially impact net ecosystem carbon balance in the Great Dismal Swamp. Through alternative management actions such as re-wetting, below-ground biomass loss may have been avoided, resulting in the added carbon storage capacity of 1.38 Tg. Based on two model assumptions used to simulate the peat system, (a burn scar totaling 70 cm in depth, and the soil carbon accumulation rate of 0.36 t C/ha−1/year−1 for Atlantic white cedar), the total soil carbon loss from the

  9. Inorganic carbon dominates total dissolved carbon concentrations and fluxes in British rivers: Application of the THINCARB model - Thermodynamic modelling of inorganic carbon in freshwaters.

    PubMed

    Jarvie, Helen P; King, Stephen M; Neal, Colin

    2017-01-01

    River water-quality studies rarely measure dissolved inorganic carbon (DIC) routinely, and there is a gap in our knowledge of the contributions of DIC to aquatic carbon fluxes and cycling processes. Here, we present the THINCARB model (THermodynamic modelling of INorganic CARBon), which uses widely-measured determinands (pH, alkalinity and temperature) to calculate DIC concentrations, speciation (bicarbonate, HCO3(-); carbonate, CO3(2-); and dissolved carbon dioxide, H2CO3(⁎)) and excess partial pressures of carbon dioxide (EpCO2) in freshwaters. If calcium concentration measurements are available, THINCARB also calculates calcite saturation. THINCARB was applied to the 39-year Harmonised Monitoring Scheme (HMS) dataset, encompassing all the major British rivers discharging to the coastal zone. Model outputs were combined with the HMS dissolved organic carbon (DOC) datasets, and with spatial land use, geology, digital elevation and hydrological datasets. We provide a first national-scale evaluation of: the spatial and temporal variability in DIC concentrations and fluxes in British rivers; the contributions of DIC and DOC to total dissolved carbon (TDC); and the contributions to DIC from HCO3(-) and CO3(2-) from weathering sources and H2CO3(⁎) from microbial respiration. DIC accounted for >50% of TDC concentrations in 87% of the HMS samples. In the seven largest British rivers, DIC accounted for an average of 80% of the TDC flux (ranging from 57% in the upland River Tay, to 91% in the lowland River Thames). DIC fluxes exceeded DOC fluxes, even under high-flow conditions, including in the Rivers Tay and Tweed, draining upland peaty catchments. Given that particulate organic carbon fluxes from UK rivers are consistently lower than DOC fluxes, DIC fluxes are therefore also the major source of total carbon fluxes to the coastal zone. These results demonstrate the importance of accounting for DIC concentrations and fluxes for quantifying carbon transfers from land

  10. Comparison of kinetic theory models of laser ablation of carbon

    SciTech Connect

    Shusser, Michael

    2010-05-15

    The paper compares the predictions of three-dimensional kinetic theory models of laser ablation of carbon. All the models are based on the moment solution of the Boltzmann equation for arbitrary strong evaporation but use different approximations. Comparison of the model predictions demonstrated that the choice of the particular model has very little influence on the results. The influence of the heat conduction from the gas to the solid phase was also found to be negligible in this problem.

  11. Graphical modelling of carbon nanotube field effect transistor

    NASA Astrophysics Data System (ADS)

    Sahoo, R.; Mishra, R. R.

    2015-02-01

    Carbon nanotube Field Effect Transistors (CNTFET) are found to be one of the most promising successors to conventional Si-MOSFET. This paper presents a novel modelling for planar CNTFET based on curve fitting method. The results obtained from the model are compared with the simulated results obtained by using the nanohub simulator. Finally the accuracy of the model is discussed by calculating the normalized root mean square difference between the nanohub simulation results and those obtained from the proposed model.

  12. Analytical modeling of glucose biosensors based on carbon nanotubes

    PubMed Central

    2014-01-01

    In recent years, carbon nanotubes have received widespread attention as promising carbon-based nanoelectronic devices. Due to their exceptional physical, chemical, and electrical properties, namely a high surface-to-volume ratio, their enhanced electron transfer properties, and their high thermal conductivity, carbon nanotubes can be used effectively as electrochemical sensors. The integration of carbon nanotubes with a functional group provides a good and solid support for the immobilization of enzymes. The determination of glucose levels using biosensors, particularly in the medical diagnostics and food industries, is gaining mass appeal. Glucose biosensors detect the glucose molecule by catalyzing glucose to gluconic acid and hydrogen peroxide in the presence of oxygen. This action provides high accuracy and a quick detection rate. In this paper, a single-wall carbon nanotube field-effect transistor biosensor for glucose detection is analytically modeled. In the proposed model, the glucose concentration is presented as a function of gate voltage. Subsequently, the proposed model is compared with existing experimental data. A good consensus between the model and the experimental data is reported. The simulated data demonstrate that the analytical model can be employed with an electrochemical glucose sensor to predict the behavior of the sensing mechanism in biosensors. PMID:24428818

  13. An Urban Diffusion Simulation Model for Carbon Monoxide

    ERIC Educational Resources Information Center

    Johnson, W. B.; And Others

    1973-01-01

    A relatively simple Gaussian-type diffusion simulation model for calculating urban carbon (CO) concentrations as a function of local meteorology and the distribution of traffic is described. The model can be used in two ways: in the synoptic mode and in the climatological mode. (Author/BL)

  14. Underestimation of boreal soil carbon stocks by mathematical soil carbon models linked to soil nutrient status

    NASA Astrophysics Data System (ADS)

    Ťupek, Boris; Ortiz, Carina A.; Hashimoto, Shoji; Stendahl, Johan; Dahlgren, Jonas; Karltun, Erik; Lehtonen, Aleksi

    2016-08-01

    Inaccurate estimate of the largest terrestrial carbon pool, soil organic carbon (SOC) stock, is the major source of uncertainty in simulating feedback of climate warming on ecosystem-atmosphere carbon dioxide exchange by process-based ecosystem and soil carbon models. Although the models need to simplify complex environmental processes of soil carbon sequestration, in a large mosaic of environments a missing key driver could lead to a modeling bias in predictions of SOC stock change.We aimed to evaluate SOC stock estimates of process-based models (Yasso07, Q, and CENTURY soil sub-model v4) against a massive Swedish forest soil inventory data set (3230 samples) organized by a recursive partitioning method into distinct soil groups with underlying SOC stock development linked to physicochemical conditions.For two-thirds of measurements all models predicted accurate SOC stock levels regardless of the detail of input data, e.g., whether they ignored or included soil properties. However, in fertile sites with high N deposition, high cation exchange capacity, or moderately increased soil water content, Yasso07 and Q models underestimated SOC stocks. In comparison to Yasso07 and Q, accounting for the site-specific soil characteristics (e. g. clay content and topsoil mineral N) by CENTURY improved SOC stock estimates for sites with high clay content, but not for sites with high N deposition.Our analysis suggested that the soils with poorly predicted SOC stocks, as characterized by the high nutrient status and well-sorted parent material, indeed have had other predominant drivers of SOC stabilization lacking in the models, presumably the mycorrhizal organic uptake and organo-mineral stabilization processes. Our results imply that the role of soil nutrient status as regulator of organic matter mineralization has to be re-evaluated, since correct SOC stocks are decisive for predicting future SOC change and soil CO2 efflux.

  15. Mechanical testing and modelling of carbon-carbon composites for aircraft disc brakes

    NASA Astrophysics Data System (ADS)

    Bradley, Luke R.

    The objective of this study is to improve the understanding of the stress distributions and failure mechanisms experienced by carbon-carbon composite aircraft brake discs using finite element (FE) analyses. The project has been carried out in association with Dunlop Aerospace as an EPSRC CASE studentship. It therefore focuses on the carbon-carbon composite brake disc material produced by Dunlop Aerospace, although it is envisaged that the approach will have broader applications for modelling and mechanical testing of carbon-carbon composites in general. The disc brake material is a laminated carbon-carbon composite comprised of poly(acrylonitrile) (PAN) derived carbon fibres in a chemical vapour infiltration (CVI) deposited matrix, in which the reinforcement is present in both continuous fibre and chopped fibre forms. To pave the way for the finite element analysis, a comprehensive study of the mechanical properties of the carbon-carbon composite material was carried out. This focused largely, but not entirely, on model composite materials formulated using structural elements of the disc brake material. The strengths and moduli of these materials were measured in tension, compression and shear in several orientations. It was found that the stress-strain behaviour of the materials were linear in directions where there was some continuous fibre reinforcement, but non-linear when this was not the case. In all orientations, some degree of non-linearity was observed in the shear stress-strain response of the materials. However, this non-linearity was generally not large enough to pose a problem for the estimation of elastic moduli. Evidence was found for negative Poisson's ratio behaviour in some orientations of the material in tension. Additionally, the through-thickness properties of the composite, including interlaminar shear strength, were shown to be positively related to bulk density. The in-plane properties were mostly unrelated to bulk density over the range of

  16. A carbon footprint simulation model for the cork oak sector.

    PubMed

    Demertzi, Martha; Paulo, Joana Amaral; Arroja, Luís; Dias, Ana Cláudia

    2016-10-01

    In the present study, a simulation model for the calculation of the carbon footprint of the cork oak sector (CCFM) is developed for the first time. A life cycle approach is adopted including the forest management, manufacturing, use and end-of-life stages. CCFM allows the user to insert the cork type used as raw material and its respective quantity and the distances in-between the various stages. The user can choose among different end-of-life destination options for the used cork products. The option of inserting different inputs, allows the use of the present simulation model for different cork oak systems, in different countries and with different conditions. CCFM allows the identification of the stages and products with the greatest carbon footprint and thus, a better management of the sector from an environmental perspective. The Portuguese cork oak sector is used as an application example of the model. The results obtained showed that the agglomeration industry is the hotspot for the carbon footprint of the cork sector mainly due to the production of the resins that are mixed with the cork granules for the production of agglomerated cork products. The consideration of the biogenic carbon emissions and sequestration of carbon at the forest in the carbon footprint, resulted to a great decrease of the sector's carbon footprint. Future actions for improvement are suggested in order to decrease the carbon footprint of the entire cork sector. It was found that by decreasing by 10% the emission factor of the agglomeration and transformation industries, substituting the transport trucks by more recent ones and by decreasing by 10% the cork products reaching the landfilling end-of-life destinations (while increasing the quantities reaching incineration and recycling), a decrease of the total CF (excluding the biogenic emissions and sequestration) of the entire cork industry by 10% can be achieved.

  17. Elevated temperature alters carbon cycling in a model microbial community

    NASA Astrophysics Data System (ADS)

    Mosier, A.; Li, Z.; Thomas, B. C.; Hettich, R. L.; Pan, C.; Banfield, J. F.

    2013-12-01

    Earth's climate is regulated by biogeochemical carbon exchanges between the land, oceans and atmosphere that are chiefly driven by microorganisms. Microbial communities are therefore indispensible to the study of carbon cycling and its impacts on the global climate system. In spite of the critical role of microbial communities in carbon cycling processes, microbial activity is currently minimally represented or altogether absent from most Earth System Models. Method development and hypothesis-driven experimentation on tractable model ecosystems of reduced complexity, as presented here, are essential for building molecularly resolved, benchmarked carbon-climate models. Here, we use chemoautotropic acid mine drainage biofilms as a model community to determine how elevated temperature, a key parameter of global climate change, regulates the flow of carbon through microbial-based ecosystems. This study represents the first community proteomics analysis using tandem mass tags (TMT), which enable accurate, precise, and reproducible quantification of proteins. We compare protein expression levels of biofilms growing over a narrow temperature range expected to occur with predicted climate changes. We show that elevated temperature leads to up-regulation of proteins involved in amino acid metabolism and protein modification, and down-regulation of proteins involved in growth and reproduction. Closely related bacterial genotypes differ in their response to temperature: Elevated temperature represses carbon fixation by two Leptospirillum genotypes, whereas carbon fixation is significantly up-regulated at higher temperature by a third closely related genotypic group. Leptospirillum group III bacteria are more susceptible to viral stress at elevated temperature, which may lead to greater carbon turnover in the microbial food web through the release of viral lysate. Overall, this proteogenomics approach revealed the effects of climate change on carbon cycling pathways and other

  18. Turbulent Chemical Diffusion in Convectively Bounded Carbon Flames

    NASA Astrophysics Data System (ADS)

    Lecoanet, Daniel; Schwab, Josiah; Quataert, Eliot; Bildsten, Lars; Timmes, F. X.; Burns, Keaton J.; Vasil, Geoffrey M.; Oishi, Jeffrey S.; Brown, Benjamin P.

    2016-11-01

    It has been proposed that mixing induced by convective overshoot can disrupt the inward propagation of carbon deflagrations in super-asymptotic giant branch stars. To test this theory, we study an idealized model of convectively bounded carbon flames with 3D hydrodynamic simulations of the Boussinesq equations using the pseudo-spectral code Dedalus. Because the flame propagation timescale is much longer than the convection timescale, we approximate the flame as fixed in space, and only consider its effects on the buoyancy of the fluid. By evolving a passive scalar field, we derive a turbulent chemical diffusivity produced by the convection as a function of height, {D}{{t}}(z). Convection can stall a flame if the chemical mixing timescale, set by the turbulent chemical diffusivity, {D}{{t}}, is shorter than the flame propagation timescale, set by the thermal diffusivity, κ, i.e., when {D}{{t}}\\gt κ . However, we find {D}{{t}}\\lt κ for most of the flame because convective plumes are not dense enough to penetrate into the flame. Extrapolating to realistic stellar conditions, this implies that convective mixing cannot stall a carbon flame and that “hybrid carbon-oxygen-neon” white dwarfs are not a typical product of stellar evolution.

  19. Comparison of Bacillus atrophaeus spore viability following exposure to detonation of C4 and to deflagration of halogen-containing thermites

    SciTech Connect

    Tringe, J. W.; Letant, S. E.; Dugan, L. C.; Levie, H. W.; Kuhl, A. L.; Murphy, G. A.; Alves, S. W.; Vandersall, K. S.; Pantoya, M. L.

    2013-12-17

    We found that energetic materials are being considered for the neutralization of spore-forming bacteria. In this study, the neutralization effects of a monomolecular explosive were compared to the effects of halogen-containing thermites. Bacillus atrophaeus spores were exposed to the post-detonation environment of a 100 g charge of the military explosive C-4 at a range of 50 cm. These tests were performed in the thermodynamically closed environment of a 506-l barometric calorimeter. Associated temperatures were calculated using a thermodynamic model informed by calculations with the Cheetah thermochemicalcode. Temperatures in the range of 2300–2800 K were calculated to persist for nearly the full 4 ms pressure observation time. After the detonation event, spores were characterized using optical microscopy and the number of viable spores was assessed. These results showed live spore survival rates in the range of 0.01%–1%. For the thermite tests, a similar, smaller-scale configuration was employed that examined the spore neutralization effects of two thermites: aluminum with iodine pentoxide andaluminum with potassium chlorate. Only the former mixture resulted in spore neutralization. Our results indicate that the detonation environment produced by an explosive with no chemical biocides may provide effective spore neutralization similar to a deflagrating thermite containing iodine.

  20. Comparison of Bacillus atrophaeus spore viability following exposure to detonation of C4 and to deflagration of halogen-containing thermites

    SciTech Connect

    Tringe, J. W.; Létant, S. E.; Dugan, L. C.; Levie, H. W.; Kuhl, A. L.; Murphy, G. A.; Alves, S. W.; Vandersall, K. S.; Pantoya, M. L.

    2013-12-21

    Energetic materials are being considered for the neutralization of spore-forming bacteria. In this study, the neutralization effects of a monomolecular explosive were compared to the effects of halogen-containing thermites. Bacillus atrophaeus spores were exposed to the post-detonation environment of a 100 g charge of the military explosive C-4 at a range of 50 cm. These tests were performed in the thermodynamically closed environment of a 506-l barometric calorimeter. Associated temperatures were calculated using a thermodynamic model informed by calculations with the Cheetah thermochemical code. Temperatures in the range of 2300–2800 K were calculated to persist for nearly the full 4 ms pressure observation time. After the detonation event, spores were characterized using optical microscopy and the number of viable spores was assessed. Results showed live spore survival rates in the range of 0.01%–1%. For the thermite tests, a similar, smaller-scale configuration was employed that examined the spore neutralization effects of two thermites: aluminum with iodine pentoxide and aluminum with potassium chlorate. Only the former mixture resulted in spore neutralization. These results indicate that the detonation environment produced by an explosive with no chemical biocides may provide effective spore neutralization similar to a deflagrating thermite containing iodine.

  1. Comparison of Bacillus atrophaeus spore viability following exposure to detonation of C4 and to deflagration of halogen-containing thermites

    DOE PAGES

    Tringe, J. W.; Letant, S. E.; Dugan, L. C.; ...

    2013-12-17

    We found that energetic materials are being considered for the neutralization of spore-forming bacteria. In this study, the neutralization effects of a monomolecular explosive were compared to the effects of halogen-containing thermites. Bacillus atrophaeus spores were exposed to the post-detonation environment of a 100 g charge of the military explosive C-4 at a range of 50 cm. These tests were performed in the thermodynamically closed environment of a 506-l barometric calorimeter. Associated temperatures were calculated using a thermodynamic model informed by calculations with the Cheetah thermochemicalcode. Temperatures in the range of 2300–2800 K were calculated to persist for nearly themore » full 4 ms pressure observation time. After the detonation event, spores were characterized using optical microscopy and the number of viable spores was assessed. These results showed live spore survival rates in the range of 0.01%–1%. For the thermite tests, a similar, smaller-scale configuration was employed that examined the spore neutralization effects of two thermites: aluminum with iodine pentoxide andaluminum with potassium chlorate. Only the former mixture resulted in spore neutralization. Our results indicate that the detonation environment produced by an explosive with no chemical biocides may provide effective spore neutralization similar to a deflagrating thermite containing iodine.« less

  2. Comparison of Bacillus atrophaeus spore viability following exposure to detonation of C4 and to deflagration of halogen-containing thermites

    NASA Astrophysics Data System (ADS)

    Tringe, J. W.; Létant, S. E.; Dugan, L. C.; Levie, H. W.; Kuhl, A. L.; Murphy, G. A.; Alves, S. W.; Vandersall, K. S.; Pantoya, M. L.

    2013-12-01

    Energetic materials are being considered for the neutralization of spore-forming bacteria. In this study, the neutralization effects of a monomolecular explosive were compared to the effects of halogen-containing thermites. Bacillus atrophaeus spores were exposed to the post-detonation environment of a 100 g charge of the military explosive C-4 at a range of 50 cm. These tests were performed in the thermodynamically closed environment of a 506-l barometric calorimeter. Associated temperatures were calculated using a thermodynamic model informed by calculations with the Cheetah thermochemical code. Temperatures in the range of 2300-2800 K were calculated to persist for nearly the full 4 ms pressure observation time. After the detonation event, spores were characterized using optical microscopy and the number of viable spores was assessed. Results showed live spore survival rates in the range of 0.01%-1%. For the thermite tests, a similar, smaller-scale configuration was employed that examined the spore neutralization effects of two thermites: aluminum with iodine pentoxide and aluminum with potassium chlorate. Only the former mixture resulted in spore neutralization. These results indicate that the detonation environment produced by an explosive with no chemical biocides may provide effective spore neutralization similar to a deflagrating thermite containing iodine.

  3. Belize model, a carbonate-clastic shelf buildup

    SciTech Connect

    Shepard, W.

    1987-05-01

    Belize, a small Central American country located on the Caribbean Sea south of the Yucatan Peninsula, offers an excellent modern analog of a mixed carbonate/clastic shelf buildup. Its 175-mi long reef tract, second longest in the world, restricts a shallow shelf depobasin into which terrigenous clastics source from the Maya Mountains to the west and carbonates dominate from the east. Mixed lithologies occur along strandlines, in submarine channels, and in lagoons and river-delta fronts, which are scattered throughout the depobasin. Energy sources from both land and sea influence sedimentation. Heavy summer rains flood the basin with arkosic and quartzose clastics, and periodic sea storms and hurricanes drive carbonate particles from the reef tract landward into the basin. Modern environments include the reef tract, carbonate tidal flats, shallow shelf patch reefs, lagoons, cayes, mainland coast deltas, estuaries, lagoons, and beach/bar barriers. Modern sediments include reef metazoans, algae, coralline algae, lime mud, quartz, and feldspathic sand and clay. The setting for the model has been influenced by Tertiary tectonics and Pleistocene sea level changes. Karstification occurred during the past 10,000 years, partly controlling topography and resulting Holocene sediment patterns. Facies patterns of the Belize Holocene are compared to the Jurassic of Montana. The Middle Jurassic Piper Formation exhibits a nearly 100-mi long carbonate barrier/buildup restricting a clastic-dominated shelf. Other ancient mixed carbonate/clastic terranes may fit this model as well.

  4. Improving conceptual models of water and carbon transfer through peat

    USGS Publications Warehouse

    McKenzie, Jeffery M.; Siegel, Donald I.; Rosenberry, Donald O.; Baird, Andrew J.; Belyea, Lisa R.; Comas, Xavier; Reeve, A.S.; Slater, Lee D.

    2009-01-01

    Northern peatlands store 500 × 1015 g of organic carbon and are very sensitive to climate change. There is a strong conceptual model of sources, sinks, and pathways of carbon within peatlands, but challenges remain both in understanding the hydrogeology and the linkages between carbon cycling and peat pore water flow. In this chapter, research findings from the glacial Lake Agassiz peatlands are used to develop a conceptual framework for peatland hydrogeology and identify four challenges related to northern peatlands yet to be addressed: (1) develop a better understanding of the extent and net impact of climate-driven groundwater flushing in peatlands; (2) quantify the complexities of heterogeneity on pore water flow and, in particular, reconcile contradictions between peatland hydrogeologic interpretations and isotopic data; (3) understand the hydrogeologic implications of free-phase methane production, entrapment, and release in peatlands; and (4) quantify the impact of arctic and subarctic warming on peatland hydrogeology and its linkage to carbon cycling.

  5. Stochastic Modeling of Carbon Photo-mineralization along Arctic Rivers

    NASA Astrophysics Data System (ADS)

    Li, A.; Aubeneau, A. F.; King, T.; Cory, R. M.; Neilson, B. T.; Kling, G. W.; Bolster, D.; Packman, A. I.

    2014-12-01

    Permafrost soil stores twice the amount of carbon found in current atmosphere, leading to increasing concern about climate feedbacks due to thawing of organic carbon stored in arctic permafrost. Current climate models assume that CO2 outgassing occurs only at the site of thawing, overlooking the flushing of dissolved organic carbon (DOC) from soils into surface waters, downstream transport, and the associated opportunities for photochemical transformations. To better understand the mechanisms producing CO2 and the effect of water flow on riverine photo-mineralization of DOC, we developed a stochastic particle-tracking model that characterizes the migration of DOC in arctic rivers and the concurrent photo-mineralization during downstream transport. We calibrated the model against field tracer measurements, and then applied the model to analyze the effects of river geometry and flow on rates of photo-mineralization of DOC to CO2 in the Kuparuk River, Alaska. We found that rates of photo-mineralization were dependent on vertical mixing in the water column and average residence times. When flow paths are restricted to areas near and beneath the river bed, where both flow velocity and light availability are low, the overall photo-mineralization of DOC is reduced. Using this model will improve our understanding of the interactions between hydrological and photochemical controls on CO2 production in surface waters, and provide tools that can be used more generally to assess redistribution and transformation of carbon in arctic and global climate models.

  6. The influence of initial temperature on flame acceleration and deflagration-to-detonation transition

    SciTech Connect

    Ciccarelli, G.; Boccio, J.L.; Ginsberg, T.

    1996-07-01

    The influence of initial mixture temperature on deflagration-to-detonation transition (DDT) has been investigated experimentally. The experiments were carried out in a 27-cm-inner diameter, 21.3-meter-long heated detonation tube, which was equipped with periodic orifice plates to promote flame acceleration. Hydrogen-air-steam mixtures were tested at a range of temperatures up to 650K and at an initial pressure of 0.1 MPa. In most cases, the limiting hydrogen mole fraction which resulted in transition to detonation corresponded to the mixture whose detonation cell size, {lambda}, was approximately equal to the inner diameter of the orifice plate, d (e.g., d/{lambda}{approximately}1). The only exception was in dry hydrogen-air mixtures at 650K where the DDT limit was observed to be 11 percent hydrogen, corresponding to a value of d/{lambda} equal to 5.5. For a 10.5 percent hydrogen mixture at 650K, the flame accelerated to a maximum velocity of about 120 m/s and then decelerated to below 2 m/s. This observation indicates that the d/{lambda} = 1 DDT limit criterion provides a necessary condition but not a sufficient one for the onset of DDT in obstacle-laden ducts. In this particular case, the mixture initial condition (i.e., temperature) resulted in the inability of the mixture to sustain flame acceleration to the point where DDT could occur. It was also observed that the distance required for the flame to accelerate to the onset of detonation was a function of both the hydrogen mole fraction and the mixture initial temperature. For example, decreasing the hydrogen mole fraction or increasing the initial mixture temperature resulted in longer transition distances.

  7. Turbulent flame speeds in ducts and the deflagration/detonation transition

    SciTech Connect

    Bradley, D.; Lawes, M.; Liu, Kexin

    2008-07-15

    A methodology is proposed for determining whether a deflagration-to-detonation transition (DDT) might occur for flame propagation along a duct with baffles, closed at the ignition end. A flammable mixture can attain a maximum turbulent burning velocity. If this is sufficiently high, a strong shock is formed ahead of the flame. It is assumed that this maximum burning velocity is soon attained and on the basis of previous studies, this value can be obtained for the given conditions. The increase in temperature and pressure of the reactants, due to the shock, further increases the maximum turbulent burning velocity. The gas velocity ahead of the flame is linked to one-dimensional shock wave equations in a numerical analysis. The predicted duct flame speeds with the appropriate maximum turbulent burning velocities are in good agreement with those measured in the slow and fast flame regimes of a range of CH{sub 4}-air and H{sub 2}-air mixtures. DDTs are possible if autoignition of the reactants occurs in the time available, and if the projected flame speed approaches the Chapman-Jouguet velocity at the same temperature and pressure. Prediction of the first condition requires values of the autoignition delay time of the mixture at the shocked temperatures and pressures. Prediction of the second requires values of the laminar burning velocity and Markstein number. With the appropriate values of these parameters, it is shown numerically that there is no DDT with CH{sub 4}-air. With H{sub 2}-air, the onset of DDT occurs close to the values of equivalence ratio at which it has been observed experimentally. The effects of different duct sizes also are predicted, although details of the DDT cannot be predicted. Extension of the study to a wider range of fuels requires more data on their laminar burning velocities and Markstein numbers at higher temperatures and pressures and on autoignition delay times at lower temperatures and pressures. (author)

  8. Origins of the deflagration-to-detonation transition in gas-phase combustion

    SciTech Connect

    Oran, Elaine S.; Gamezo, Vadim N.

    2007-01-15

    This paper summarizes a 10-year theoretical and numerical effort to understand the deflagration-to-detonation transition (DDT). To simulate DDT from first principles, it is necessary to resolve the relevant scales ranging from the size of the system to the flame thickness, a range that can cover up to 12 orders of magnitude in real systems. This computational challenge resulted in the development of numerical algorithms for solving coupled partial and ordinary differential equations and a new method for adaptive mesh refinement to deal with multiscale phenomena. Insight into how, when, and where DDT occurs was obtained by analyzing a series of multidimensional numerical simulations of laboratory experiments designed to create a turbulent flame through a series of shock-flame interactions. The simulations showed that these interactions are important for creating the conditions in which DDT can occur. Flames enhance the strength of shocks passing through a turbulent flame brush and generate new shocks. In turn, shock interactions with flames create and drive the turbulence in flames. The turbulent flame itself does not undergo a transition, but it creates conditions in nearby unreacted material that lead to ignition centers, or 'hot spots,' which can then produce a detonation through the Zeldovich gradient mechanism involving gradients of reactivity. Obstacles and boundary layers, through their interactions with shocks and flames, help to create environments in which hot spots can develop. Other scenarios producing reactivity gradients that can lead to detonations include flame-flame interactions, turbulent mixing of hot products with reactant gases, and direct shock ignition. Major unresolved questions concern the properties of nonequilibrium, shock-driven turbulence, stochastic properties of ignition events, and the possibility of unconfined DDT. (author)

  9. Dynamic compaction of granular materials in a tube with wall friction, applied to deflagration-to-detonation transition

    SciTech Connect

    Hill, L.G.; Kapila, A.K.

    1995-09-01

    A theoretical problem is considered in which a granular material is pushed through a tube of arbitrary cross-section by a constant velocity piston against the resistance of compaction work and wall friction. The crushing of the material is dictated by a simple yet physically reasonable compaction law. By considering two special cases - the limit of vanishing friction and the quasistatic limit - we identify the two basic compaction wave structures. We then consider the general case in which the two waves interact. Estimates suggest that for typical deflagration-to-detonation tests explosive at the wall melts on time scales short compared to the experiment.

  10. Time Dependent Models of Grain Formation Around Carbon Stars

    NASA Technical Reports Server (NTRS)

    Egan, M. P.; Shipman, R. F.

    1996-01-01

    Carbon-rich Asymptotic Giant Branch stars are sites of dust formation and undergo mass loss at rates ranging from 10(exp -7) to 10(exp -4) solar mass/yr. The state-of-the-art in modeling these processes is time-dependent models which simultaneously solve the grain formation and gas dynamics problem. We present results from such a model, which also includes an exact solution of the radiative transfer within the system.

  11. Modelling of single bubble growth in carbon nanofibre filled mesophase pitch during carbonization

    NASA Astrophysics Data System (ADS)

    Calebrese, Christopher; Schadler, Linda S.; Lewis, Daniel J.

    2010-06-01

    A single bubble growth model is presented for bubble growth in mesophase pitch during carbonization. This model is distinguished from typical polymer foaming models in its design to be used over a wider temperature range, its accounting for mass transfer from the liquid to the bubble, and the incorporation of reaction sites in the melt which produce volatile gases. The effect of nanofibre loading on growth is investigated in terms of viscosity, density and volatile concentration. It is found that the viscosity change is the controlling factor in altering the bubble growth rate in this system. Comparison with experimental data shows that a single bubble growth model is a reasonable assumption for carbon nanofibre loading of 1 wt% or below.

  12. Modeling the Electrical Contact Resistance at Steel-Carbon Interfaces

    NASA Astrophysics Data System (ADS)

    Brimmo, Ayoola T.; Hassan, Mohamed I.

    2016-01-01

    In the aluminum smelting industry, electrical contact resistance at the stub-carbon (steel-carbon) interface has been recurrently reported to be of magnitudes that legitimately necessitate concern. Mitigating this via finite element modeling has been the focus of a number of investigations, with the pressure- and temperature-dependent contact resistance relation frequently cited as a factor that limits the accuracy of such models. In this study, pressure- and temperature-dependent relations are derived from the most extensively cited works that have experimentally characterized the electrical contact resistance at these contacts. These relations are applied in a validated thermo-electro-mechanical finite element model used to estimate the voltage drop across a steel-carbon laboratory setup. By comparing the models' estimate of the contact electrical resistance with experimental measurements, we deduce the applicability of the different relations over a range of temperatures. The ultimate goal of this study is to apply mathematical modeling in providing pressure- and temperature-dependent relations that best describe the steel-carbon electrical contact resistance and identify the best fit relation at specific thermodynamic conditions.

  13. Hysteresis modeling in ballistic carbon nanotube field-effect transistors

    PubMed Central

    Liu, Yian; Moura, Mateus S; Costa, Ademir J; de Almeida, Luiz Alberto L; Paranjape, Makarand; Fontana, Marcio

    2014-01-01

    Theoretical models are adapted to describe the hysteresis effects seen in the electrical characteristics of carbon nanotube field-effect transistors. The ballistic transport model describes the contributions of conduction energy sub-bands over carbon nanotube field-effect transistor drain current as a function of drain-source and gate-source voltages as well as other physical parameters of the device. The limiting-loop proximity model, originally developed to understand magnetic hysteresis, is also utilized in this work. The curves obtained from our developed model corroborate well with the experimentally derived hysteretic behavior of the transistors. Modeling the hysteresis behavior will enable designers to reliably use these effects in both analog and memory applications. PMID:25187698

  14. Measuring and Modeling Component and Whole-System Carbon Exchange

    SciTech Connect

    Paul Bolstad

    2006-11-01

    We measured ecosystem/atmospheric carbon exchange through a range of methods covering a range of scales. We measured carbon (C) pool and flux for a number of previously poorly quantified ecosystems, developed measurement and modeling methods, and applied these to substantially increase the accuracy and reduce uncertainty in ecosystem/atmospheric C exchange at a range of scales. It appears most upland forests are weak to strong carbon sinks, and status depends largely on disturbance history and age. Net flux from wetland ecosystems appears to be from weak sinks to moderate sources of C to the atmosphere. We found limited evidence for a positive feedback of warming/drying to increased ecosystem C emissions. We further developed multi-source integration and modeling methods, including multiple towers, to scale estimates to landscapes and larger regions.

  15. A three-dimensional picture of the delayed-detonation model of type Ia supernovae

    NASA Astrophysics Data System (ADS)

    Bravo, E.; García-Senz, D.

    2008-02-01

    Aims:Deflagration models poorly explain the observed diversity of SNIa. Current multidimensional simulations of SNIa predict a significant amount of, so far unobserved, carbon and oxygen moving at low velocities. It has been proposed that these drawbacks can be resolved if there is a sudden jump to a detonation (delayed detonation), but these kinds of models have been explored mainly in one dimension. Here we present new three-dimensional delayed detonation models in which the deflagraton-to-detonation transition (DDT) takes place in conditions like those favored by one-dimensional models. Methods: We have used a smoothed-particle-hydrodynamics code adapted to follow all the dynamical phases of the explosion, with algorithms devised to handle subsonic as well as supersonic combustion fronts. The starting point was a centrally ignited C-O white dwarf of 1.38 {M}⊙. When the average density on the flame surface reached 2-3×107 g cm-3 a detonation was launched. Results: The detonation wave processed more than 0.3 M⊙ of carbon and oxygen, emptying the central regions of the ejecta of unburned fuel and raising its kinetic energy close to the fiducial 1051 erg expected from a healthy type Ia supernova. The final amount of 56Ni synthesized also was in the correct range. However, the mass of carbon and oxygen ejected is still too high. Conclusions: The three-dimensional delayed detonation models explored here show an improvement over pure deflagration models, but they still fail to coincide with basic observational constraints. However, there are many aspects of the model that are still poorly known (geometry of flame ignition, mechanism of DDT, properties of detonation waves traversing a mixture of fuel and ashes). Therefore, it will be worth pursuing its exploration to see if a good SNIa model based on the three-dimensional delayed detonation scenario can be obtained.

  16. A model of compaction creep in carbonates

    NASA Astrophysics Data System (ADS)

    Keszthelyi, Daniel; Jamtveit, Bjørn; Dysthe, Dag Kristian

    2015-04-01

    Rocks in compressional stress conditions are subject to long-term creep deformations. We created a simple conceptual micomechanical model of creep in rocks combining microscopic fracturing and pressure solution. This was then scaled up to macroscopic scale by a statistical mechanical approach to predict strain rate at core scale. The model uses no fitting parameter and have a few input parameters: effective stress, porosity, pore size distribution, temperature and water saturation. Internal parameters are Young's modulus, interfacial energy of wet calcite and dissolution rates of calcite, all of which are measurable independently. Existing long-term creep experiments were used to verify the model which was able to predict the magnitude of the resulting strain in largely different effective stress, temperature and water saturation conditions. The model was also able to predict the compaction of a producing chalk reservoir with a good agreement. Further generalization of the model might function as a general theory of long-term creep of rocks in compressional settings.

  17. Modeling encapsulation of acetylene molecules into carbon nanotubes.

    PubMed

    Tran-Duc, Thien; Thamwattana, Ngamta

    2011-06-08

    Polyacetylene is a well-known conductive polymer and when doped its conductivity can be altered by up to 12 orders of magnitude. However, due to entropy effects a polyacetylene chain usually suffers from distortions and interchain couplings which lead to unpredictable changes in its conducting property. Encapsulating a polyacetylene chain into a carbon nanotube can resolve these issues. Furthermore, since the carbon nanotube itself possesses excellent electrical conductivity, the combination of the carbon nanotube and polyacetylene may give rise to a new material with superior transport behavior. In this paper, we model mathematically the molecular interaction between an acetylene molecule and a carbon nanotube in order to determine conditions at which configurations of the acetylene molecule are accepted into the carbon nanotube as well as its equilibrium configurations inside various sizes of carbon nanotubes. For special cases of the acetylene molecule lying on the tube axis, standing vertically with its center on the tube axis and staying far inside the tube, explicit analytical expressions for the interaction energy are obtained.

  18. Modelling uncertainty of carbon stocks changes in peats.

    NASA Astrophysics Data System (ADS)

    Poggio, Laura; Gimona, Alessandro; Aalders, Inge; Morrice, Jane; Hough, Rupert

    2015-04-01

    Global warming might change the hydrology of upland blanket peats in Scotland with increased risk of release of the stored carbon. It is therefore important to model the loss of carbon in peat areas with estimation of the damage potential. The presented approach has the potential to provide important information for the assessment of carbon stocks over large areas, but also in case of changes of land use, such as construction of wind farms. The provided spatial uncertainty is important for including the results in further environmental and climate-change models and for decision making in order to provide alternatives and prioritisation. In this study, main peat properties (i.e. depth, water content, bulk density and carbon content) were modelled using a hybrid GAM-geostatistical 3D approach that allows full uncertainty propagation. The approach used involves 1) modelling the trend with full 3D spatial correlation, i.e., exploiting the values of the neighbouring pixels in 3D-space, and 2) 3D kriging as spatial component. The uncertainty of the approach is assessed with iterations in both steps of the process. We studied the difference between local estimates obtained with the present method and local estimates obtained assuming the global average value across the test area for Carbon content and bulk density. To this end, virtual pits with a surface area of 30x30 m were excavated for the whole peat depth at randomly selected locations. Calculated uncertainty was used to estimate credible intervals of C loss. In this case the estimates obtained with the proposed approach are higher that what would be obtained by assuming spatial homogeneity and using just average values across the area. This has implications for environmental decision making and planning as, in this case, it is likely that more carbon would be lost than estimated using traditional approaches.

  19. Austrian Carbon Calculator (ACC) - modelling soil carbon dynamics in Austrian soils

    NASA Astrophysics Data System (ADS)

    Sedy, Katrin; Freudenschuss, Alexandra; Zethner, Gehard; Spiegel, Heide; Franko, Uwe; Gründling, Ralf; Xaver Hölzl, Franz; Preinstorfer, Claudia; Haslmayr, Hans Peter; Formayer, Herbert

    2014-05-01

    Austrian Carbon Calculator (ACC) - modelling soil carbon dynamics in Austrian soils. The project funded by the Klima- und Energiefonds, Austrian Climate Research Programme, 4th call Authors: Katrin Sedy, Alexandra Freudenschuss, Gerhard Zethner (Environment Agency Austria), Heide Spiegel (Austrian Agency for Health and Food Safety), Uwe Franko, Ralf Gründling (Helmholtz Centre for Environmental Research) Climate change will affect plant productivity due to weather extremes. However, adverse effects could be diminished and satisfying production levels may be maintained with proper soil conditions. To sustain and optimize the potential of agricultural land for plant productivity it will be necessary to focus on preserving and increasing soil organic carbon (SOC). Carbon sequestration in agricultural soils is strongly influenced by management practice. The present management is affected by management practices that tend to speed up carbon loss. Crop rotation, soil cultivation and the management of crop residues are very important measures to influence carbon dynamics and soil fertility. For the future it will be crucial to focus on practical measures to optimize SOC and to improve soil structure. To predict SOC turnover the existing humus balance model the application of the "Carbon Candy Balance" was verified by results from Austrian long term field experiments and field data of selected farms. Thus the main aim of the project is to generate a carbon balancing tool box that can be applied in different agricultural production regions to assess humus dynamics due to agricultural management practices. The toolbox will allow the selection of specific regional input parameters for calculating the C-balance at field level. However farmers or other interested user can also apply their own field data to receive the result of C-dynamics under certain management practises within the next 100 years. At regional level the impact of predefined changes in agricultural management

  20. Modeling adaptation of carbon use efficiency in microbial communities.

    PubMed

    Allison, Steven D

    2014-01-01

    In new microbial-biogeochemical models, microbial carbon use efficiency (CUE) is often assumed to decline with increasing temperature. Under this assumption, soil carbon losses under warming are small because microbial biomass declines. Yet there is also empirical evidence that CUE may adapt (i.e., become less sensitive) to warming, thereby mitigating negative effects on microbial biomass. To analyze potential mechanisms of CUE adaptation, I used two theoretical models to implement a tradeoff between microbial uptake rate and CUE. This rate-yield tradeoff is based on thermodynamic principles and suggests that microbes with greater investment in resource acquisition should have lower CUE. Microbial communities or individuals could adapt to warming by reducing investment in enzymes and uptake machinery. Consistent with this idea, a simple analytical model predicted that adaptation can offset 50% of the warming-induced decline in CUE. To assess the ecosystem implications of the rate-yield tradeoff, I quantified CUE adaptation in a spatially-structured simulation model with 100 microbial taxa and 12 soil carbon substrates. This model predicted much lower CUE adaptation, likely due to additional physiological and ecological constraints on microbes. In particular, specific resource acquisition traits are needed to maintain stoichiometric balance, and taxa with high CUE and low enzyme investment rely on low-yield, high-enzyme neighbors to catalyze substrate degradation. In contrast to published microbial models, simulations with greater CUE adaptation also showed greater carbon storage under warming. This pattern occurred because microbial communities with stronger CUE adaptation produced fewer degradative enzymes, despite increases in biomass. Thus, the rate-yield tradeoff prevents CUE adaptation from driving ecosystem carbon loss under climate warming.

  1. Calibration and testing or models of the global carbon cycle

    SciTech Connect

    Emanuel, W.R.; Killough, G.G.; Shugart, H.H. Jr.

    1980-01-01

    A ten-compartment model of the global biogeochemical cycle of carbon is presented. The two less-abundant isotopes of carbon, /sup 13/C and /sup 14/C, as well as total carbon, are considered. The cycling of carbon in the ocean is represented by two well-mixed compartments and in the world's terrestrial ecosystems by seven compartments, five which are dynamic and two with instantaneous transfer. An internally consistent procedure for calibrating this model against an assumed initial steady state is discussed. In particular, the constraint that the average /sup 13/C//sup 12/C ratio in the total flux from the terrestrial component of the model to the atmosphere be equal to that of the steady-state atmosphere is investigated. With this additional constraint, the model provides a more accurate representation of the influence of the terrestrial system on the /sup 13/C//sup 12/C ratio of the atmosphere and provides an improved basis for interpreting records, such as tree rings, reflecting historical changes in this ratio.

  2. Computer Modeling of Carbon Metabolism Enables Biofuel Engineering (Fact Sheet)

    SciTech Connect

    Not Available

    2011-09-01

    In an effort to reduce the cost of biofuels, the National Renewable Energy Laboratory (NREL) has merged biochemistry with modern computing and mathematics. The result is a model of carbon metabolism that will help researchers understand and engineer the process of photosynthesis for optimal biofuel production.

  3. A big-microsite framework for soil carbon modeling.

    PubMed

    Davidson, Eric A; Savage, Kathleen E; Finzi, Adrien C

    2014-12-01

    Soil carbon cycling processes potentially play a large role in biotic feedbacks to climate change, but little agreement exists at present on what the core of numerical soil C cycling models should look like. In contrast, most canopy models of photosynthesis and leaf gas exchange share a common 'Farquhaur-model' core structure. Here, we explore why a similar core model structure for heterotrophic soil respiration remains elusive and how a pathway to that goal might be envisioned. The spatial and temporal variation in soil microsite conditions greatly complicates modeling efforts, but we believe it is possible to develop a tractable number of parameterizable equations that are organized into a coherent, modular, numerical model structure. First, we show parallels in insights gleaned from linking Arrhenius and Michaelis-Menten kinetics for both photosynthesis and soil respiration. Additional equations and layers of complexity are then added to simulate substrate supply. For soils, model modules that simulate carbon stabilization processes will be key to estimating the fraction of soil C that is accessible to enzymes. Potential modules for dynamic photosynthate input, wetting-event inputs, freeze-thaw impacts on substrate diffusion, aggregate turnover, soluble-C sorption, gas transport, methane respiration, and microbial dynamics are described for conceptually and numerically linking our understanding of fast-response processes of soil gas exchange with longer-term dynamics of soil carbon and nitrogen stocks.

  4. Modeling the Carbon Implications of Ecologically Based Forest Management

    DTIC Science & Technology

    2015-08-20

    habitat conditions identified; yet some forest stands with these attributes are not used. It does not appear that lack of use is due to birds ...model extension called Century Succession, which incorporates the Century model into the LANDIS-II framework to simulate belowground carbon...to promote continued dominance of open canopy longleaf pine. Burns were assigned under simulated weather and fuel conditions that reflect

  5. Soil carbon sensitivity to temperature and carbon use efficiency compared across microbial-ecosystem models of varying complexity

    SciTech Connect

    Li, Jianwei; Wang, Gangsheng; Allison, Steven D.; Mayes, Melanie; Luo, Yiqi

    2014-01-01

    Global ecosystem models may require microbial components to accurately predict feedbacks between climate warming and soil decomposition, but it is unclear what parameters and levels of complexity are ideal for scaling up to the globe. Here we conducted a model comparison using a conventional model with first-order decay and three microbial models of increasing complexity that simulate short- to long-term soil carbon dynamics. We focused on soil carbon responses to microbial carbon use efficiency (CUE) and temperature. Three scenarios were implemented in all models: constant CUE (held at 0.31), varied CUE ( 0.016 C 1), and 50 % acclimated CUE ( 0.008 C 1). Whereas the conventional model always showed soil carbon losses with increasing temperature, the microbial models each predicted a temperature threshold above which warming led to soil carbon gain. The location of this threshold depended on CUE scenario, with higher temperature thresholds under the acclimated and constant scenarios. This result suggests that the temperature sensitivity of CUE and the structure of the soil carbon model together regulate the long-term soil carbon response to warming. Equilibrium soil carbon stocks predicted by the microbial models were much less sensitive to changing inputs compared to the conventional model. Although many soil carbon dynamics were similar across microbial models, the most complex model showed less pronounced oscillations. Thus, adding model complexity (i.e. including enzyme pools) could improve the mechanistic representation of soil carbon dynamics during the transient phase in certain ecosystems. This study suggests that model structure and CUE parameterization should be carefully evaluated when scaling up microbial models to ecosystems and the globe.

  6. A Computer Model for Direct Carbonate Fuel Cells

    SciTech Connect

    Ding, J.; Patel, P.S.; Farooque, M.; Maru, H.C.

    1997-04-01

    A 3-D computer model, describing fluid flow, heat and mass transfer, and chemical and electrochemical reaction processes, has been developed for guiding the direct carbonate fuel cell (DFC) stack design. This model is able to analyze the direct internal reforming (DIR) as well as the integrated IIR (indirect internal reforming)-DIR designs. Reasonable agreements between computed and fuel cell tested results, such as flow variations, temperature distributions, cell potentials, and exhaust gas compositions as well as methane conversions, were obtained. Details of the model and comparisons of the modeling results with experimental DFC stack data are presented in the paper.

  7. Explicit Pore Pressure Material Model in Carbon-Cloth Phenolic

    NASA Technical Reports Server (NTRS)

    Gutierrez-Lemini, Danton; Ehle, Curt

    2003-01-01

    An explicit material model that uses predicted pressure in the pores of a carbon-cloth phenolic (CCP) composite has been developed. This model is intended to be used within a finite-element model to predict phenomena specific to CCP components of solid-fuel-rocket nozzles subjected to high operating temperatures and to mechanical stresses that can be great enough to cause structural failures. Phenomena that can be predicted with the help of this model include failures of specimens in restrained-thermal-growth (RTG) tests, pocketing erosion, and ply lifting

  8. Modeling Carbon and Hydrocarbon Molecular Structures in EZTB

    NASA Technical Reports Server (NTRS)

    Lee, Seungwon; vonAllmen, Paul

    2007-01-01

    A software module that models the electronic and mechanical aspects of hydrocarbon molecules and carbon molecular structures on the basis of first principles has been written for incorporation into, and execution within, the Easy (Modular) Tight-Binding (EZTB) software infrastructure, which is summarized briefly in the immediately preceding article. Of particular interest, this module can model carbon crystals and nanotubes characterized by various coordinates and containing defects, without need to adjust parameters of the physical model. The module has been used to study the changes in electronic properties of carbon nanotubes, caused by bending of the nanotubes, for potential utility as the basis of a nonvolatile, electriccharge- free memory devices. For example, in one application of the module, it was found that an initially 50-nmlong carbon, (10,10)-chirality nanotube, which is a metallic conductor when straight, becomes a semiconductor with an energy gap of .3 meV when bent to a lateral displacement of 4 nm at the middle.

  9. Stability of Li-carbon materials: a molecular modeling study

    NASA Astrophysics Data System (ADS)

    Nicolau, Dan V.

    2004-03-01

    Materials with exceptionally high content of carbon are used in technologies with various degrees of added value, from quasi-amorphous materials for carbon electrodes used in e.g. lithium batteries to highly-organized materials comprising e.g. nanotubes and fullerenes. The present study aims to test the feasibility of predicting the properties of carbon based materials using (i) molecular modeling and simulation techniques for prediction of compositional stability; and (ii) experimental data regarding materials used for lithium batteries as validation data. It has been found that a higher H/C atomic ratio has a complex influence on lithium uptake. The decrease of the number of the aromatic rings will limit the number of lithium ions allowed in the pore and the increase in pore flexibility will induce a more energetically favorable mechanism for lithium ions uptake (folding/house-of-cards formation against pore expansion).

  10. The effect of initial temperature on flame acceleration and deflagration-to-detonation transition phenomenon

    SciTech Connect

    Ciccarelli, G.; Boccio, J.L.; Ginsberg, T.; Finfrock, C.; Gerlach, L.; Tagawa, H.; Malliakos, A.

    1998-05-01

    The High-Temperature Combustion Facility at BNL was used to conduct deflagration-to-detonation transition (DDT) experiments. Periodic orifice plates were installed inside the entire length of the detonation tube in order to promote flame acceleration. The orifice plates are 27.3-cm-outer diameter, which is equivalent to the inner diameter of the tube, and 20.6-cm-inner diameter. The detonation tube length is 21.3-meters long, and the spacing of the orifice plates is one tube diameter. A standard automobile diesel engine glow plug was used to ignite the test mixture at one end of the tube. Hydrogen-air-steam mixtures were tested at a range of temperatures up to 650K and at an initial pressure of 0.1 MPa. In most cases, the limiting hydrogen mole fraction which resulted in DDT corresponded to the mixture whose detonation cell size, {lambda}, was equal to the inner diameter of the orifice plate, d (e.g., d/{lambda}=1). The only exception was in the dry hydrogen-air mixtures at 650K where the DDT limit was observed to be 11 percent hydrogen, corresponding to a value of d/{lambda} equal to 5.5. For a 10.5 percent hydrogen mixture at 650K, the flame accelerated to a maximum velocity of about 120 mIs and then decelerated to below 2 mIs. By maintaining the first 6.1 meters of the vessel at the ignition end at 400K, and the rest of the vessel at 650K, the DDT limit was reduced to 9.5 percent hydrogen (d/{lambda}=4.2). This observation indicates that the d/{lambda}=1 DDT limit criteria provides a necessary condition but not a sufficient one for the onset of DDT in obstacle laden ducts. In this particular case, the mixture initial condition (i.e., temperature) resulted in the inability of the mixture to sustain flame acceleration to the point where DDT could occur. It was also observed that the distance required for the flame to accelerate to the point of detonation initiation, referred to as the run-up distance, was found to be a function of both the hydrogen mole fraction

  11. Modeling the uncertainty of estimating forest carbon stocks in China

    NASA Astrophysics Data System (ADS)

    Yue, T. X.; Wang, Y. F.; Du, Z. P.; Zhao, M. W.; Zhang, L. L.; Zhao, N.; Lu, M.; Larocque, G. R.; Wilson, J. P.

    2015-12-01

    Earth surface systems are controlled by a combination of global and local factors, which cannot be understood without accounting for both the local and global components. The system dynamics cannot be recovered from the global or local controls alone. Ground forest inventory is able to accurately estimate forest carbon stocks at sample plots, but these sample plots are too sparse to support the spatial simulation of carbon stocks with required accuracy. Satellite observation is an important source of global information for the simulation of carbon stocks. Satellite remote-sensing can supply spatially continuous information about the surface of forest carbon stocks, which is impossible from ground-based investigations, but their description has considerable uncertainty. In this paper, we validated the Lund-Potsdam-Jena dynamic global vegetation model (LPJ), the Kriging method for spatial interpolation of ground sample plots and a satellite-observation-based approach as well as an approach for fusing the ground sample plots with satellite observations and an assimilation method for incorporating the ground sample plots into LPJ. The validation results indicated that both the data fusion and data assimilation approaches reduced the uncertainty of estimating carbon stocks. The data fusion had the lowest uncertainty by using an existing method for high accuracy surface modeling to fuse the ground sample plots with the satellite observations (HASM-SOA). The estimates produced with HASM-SOA were 26.1 and 28.4 % more accurate than the satellite-based approach and spatial interpolation of the sample plots, respectively. Forest carbon stocks of 7.08 Pg were estimated for China during the period from 2004 to 2008, an increase of 2.24 Pg from 1984 to 2008, using the preferred HASM-SOA method.

  12. Multi-property modeling of ocean basin carbon fluxes

    NASA Technical Reports Server (NTRS)

    Volk, Tyler

    1988-01-01

    The objectives of this project were to elucidate the causal mechanisms in some of the most important features of the global ocean/atomsphere carbon system. These included the interaction of physical and biological processes in the seasonal cycle of surface water pCo2, and links between productivity, surface chlorophyll, and the carbon cycle that would aid global modeling efforts. In addition, several other areas of critical scientific interest involving links between the marine biosphere and the global carbon cycle were successfully pursued; specifically, a possible relation between phytoplankton emitted DMS and climate, and a relation between the location of calcium carbonate burial in the ocean and metamorphic source fluxes of CO2 to the atmosphere. Six published papers covering the following topics are summarized: (1) Mass extinctions, atmospheric sulphur and climatic warming at the K/T boundary; (2) Sensitivity of climate and atmospheric CO2 to deep-ocean and shallow-ocean carbonate burial; (3) Controls on CO2 sources and sinks in the earthscale surface ocean; (4) pre-anthropogenic, earthscale patterns of delta pCO2 between ocean and atmosphere; (5) Effect on atmospheric CO2 from seasonal variations in the high latitude ocean; and (6) Limitations or relating ocean surface chlorophyll to productivity.

  13. Ocean Carbon Cycle Models from the Carbon Dioxide Information Analysis Center (CDIAC)

    DOE Data Explorer

    The following Ocean Carbon Cycle models and modeling results are available from CDIAC: • CSIRO/Matear Data [Model simulation of climate change from 1880 till 2100 (Matear and Hirst 2003, GBC) • Lequere Data, Model Results • McKinley MITgcm offline biogeochemical model - posted May 2004 • McKinley MITgcm offline biogeochemical model - posted December 2004 • NCOM-Pacific-Biogeochemical Modeling Results from Fei Chai • ROMS-Pacific-Biogeochemical Modeling Results from Fei CHai • WHOI/NCAR/Irvine Eco-BGC (Doney, Moore, Lindsay, and Lima) - Posted May 2005 • Max-Planck-Institut f?r Biogeochemie (Lequere, Buitenhuis) Modeling Results • Max-Planck-Institut f?r Biogeochemie (Lequere, Buitenhuis) Modeling Results - Posted March 2005 • Jim Christian model output for (a) Climatologies of T, S, PO4 at 50 m depth intervals; (b) SST, SSS, MLD, pCO2, CO2 flux from 1990-2003, and (c) climatological surface horizontal velocity • Max-Planck-Institut f?r Biogeochemie (Lequere, Buitenhuis) Modeling Results • Deutsch (UW) model output results for Oxygen variability in the North Pacific • Pacific data-model intercomparison from Patrick Wetzel (Max Planck Institute for Meteorology, Germany)

  14. Transition from Deflagration to Detonation and Effect of Heat and Mass Addition on the Parameters of a Subsonic Flow through a Duct.

    DTIC Science & Technology

    1983-06-01

    different from Report) SII. SUPPLEMENTARY NOTES 19. KEY WORDS (Continue on reverse side if neceee ry and identify by block number) £ Deflagration...determination of the ratic of the global mole ___ number of the inert gas to that of the diatomi ~c hydrogen, . £ £ fX VX VH (3.2-25) This is in turn followed

  15. High resolution modeling of direct ocean carbon sequestration

    SciTech Connect

    Michael Follows; John Marshall

    2004-04-22

    This work has followed two themes: (1) Developing and using the adjoint of the MIT ocean biogeochemistry model to examine the efficiency of carbon sequestration in a global configuration. We have demonstrated the power of the adjoint method for systematic ocean model sensitivity studies. We have shown that the relative efficiency of carbon sequestration in the Atlantic and Pacific basins changes with the period of interest. For decadal to centennial scales, the Pacific is more efficient. On longer timescales the Atlantic is more efficient . (2) We have developed and applied a high-resolution, North Atlantic circulation and tracer model to investigate the role of the mesoscale in controlling sequestration efficiency. We show that the mesoscale eddy field, and its explicit representation, significantly affects the estimated sequestration efficiency for local sources on the Eastern US seaboard.

  16. Modeling of carbonic acid pretreatment process using ASPEN-Plus.

    PubMed

    Jayawardhana, Kemantha; Van Walsum, G Peter

    2004-01-01

    ASPEN-Plus process modeling software is used to model carbonic acid pretreatment of biomass. ASPEN-Plus was used because of the thorough treatment of thermodynamic interactions and its status as a widely accepted process simulator. Because most of the physical property data for many of the key components used in the simulation of pretreatment processes are not available in the standard ASPEN-Plus property databases, values from an in-house database (INHSPCD) developed by the National Renewable Energy Laboratory were used. The standard non-random-two-liquid (NRTL) or renon route was used as the main property method because of the need to distill ethanol and to handle dissolved gases. The pretreatment reactor was modeled as a "black box" stoichiometric reactor owing to the unavailability of reaction kinetics. The ASPEN-Plus model was used to calculate the process equipment costs, power requirements, and heating and cooling loads. Equipment costs were derived from published modeling studies. Wall thickness calculations were used to predict construction costs for the high-pressure pretreatment reactor. Published laboratory data were used to determine a suitable severity range for the operation of the carbonic acid reactor. The results indicate that combined capital and operating costs of the carbonic acid system are slightly higher than an H2SO4-based system and highly sensitive to reactor pressure and solids concentration.

  17. Carbon turnover in pore spaces - CIPS model approach

    NASA Astrophysics Data System (ADS)

    Kuka, Katrin

    2010-05-01

    The CIPS (Carbon turnover In Pore Spaces) model has been developed to overcome the constraints of conceptual pools and to get a better insight into the nature of carbon stabilization in soil (KUKA, 2007). This pure carbon turnover model was implemented in CANDY (CArbon and Nitrogen Dynamics) model system (Franko, 1995). The CIPS model did overcome the empirical pools taking into account soil structure effects. It is based on quality driven primary stabilisation mechanism (recalcitrance of SOM) and process driven secondary stabilisation mechanism (place of turnover) of SOM in soil. In addition to the division of SOM in the qualitative pools on the basis of chemical measurability, a dependence of the turnover conditions from the location of SOM in pore space is implemented taking into account different turnover conditions in the particular pore space and the accessibility for microbial biomass. The main assumption of the CIPS model is that the biological activity is not evenly distributed through the whole pore space. The pore space classes - micro, meso and macro pores - used in the model are marked by wilting point, field capacity and pore volume as a first approach. Because of the poor aeration in the micro pores they show very low biological activity leading to a strong protection of the carbon localized in this pore space. The biological active time (BAT) concept of the CANDY model was adapted to the CIPS model in order to calculate the distribution of biological activity for each pore space class. The reduction functions of the turnover active time concept of CANDY model, related to soil temperature, soil moisture, soil texture, relative air volume and distance to the soil surface are multiplied by the step width of calendar time producing the transformed time step as total BAT (BATtot). The calculated BATtot corresponds to the time that would be required under optimal conditions in the laboratory to perform the same turnover result as under the given

  18. Determining organic carbon distributions in soil particle size fractions as a precondition of lateral carbon transport modeling at large scales

    NASA Astrophysics Data System (ADS)

    Schindewolf, Marcus; Seher, Wiebke; Pfeffer, Eduard; Schultze, Nico; Amorim, Ricardo S. S.; Schmidt, Jürgen

    2016-04-01

    The erosional transport of organic carbon has an effect on the global carbon budget, however, it is uncertain, whether erosion is a sink or a source for carbon in the atmosphere. Continuous erosion leads to a massive loss of top soils including the loss of organic carbon historically accumulated in the soil humus fraction. The colluvial organic carbon could be protected from further degradation depending on the depth of the colluvial cover and local decomposing conditions. Another part of eroded soils and organic carbon will enter surface water bodies and might be transported over long distances. The selective nature of soil erosion results in a preferential transport of fine particles while less carbonic larger particles remain on site. Consequently organic carbon is enriched in the eroded sediment compared to the origin soil. As a precondition of process based lateral carbon flux modeling, carbon distribution on soil particle size fractions has to be known. In this regard the present study refers to the determination of organic carbon contents on soil particle size separates by a combined sieve-sedimentation method for different tropical and temperate soils Our results suggest high influences of parent material and climatic conditions on carbon distribution on soil particle separates. By applying these results in erosion modeling a test slope was simulated with the EROSION 2D simulation software covering certain land use and soil management scenarios referring to different rainfall events. These simulations allow first insights on carbon loss and depletion on sediment delivery areas as well as carbon gains and enrichments on deposition areas on the landscape scale and could be used as a step forward in landscape scaled carbon redistribution modeling.

  19. Modelling carbon dynamics from urban land conversion: fundamental model of city in relation to a local carbon cycle

    PubMed Central

    Svirejeva-Hopkins, Anastasia; Schellnhuber, Hans-Joachim

    2006-01-01

    Background The main task is to estimate the qualitative and quantitative contribution of urban territories and precisely of the process of urbanization to the Global Carbon Cycle (GCC). Note that, on the contrary to many investigations that have considered direct anthropogenic emission of CO2(urbanized territories produce ca. 96–98% of it), we are interested in more subtle, and up until the present time, weaker processes associated with the conversion of the surrounding natural ecosystems and landscapes into urban lands. Such conversion inevitably takes place when cities are sprawling and additional "natural" lands are becoming "urbanized". Results In order to fulfil this task, we first develop a fundamental model of urban space, since the type of land cover within a city makes a difference for a local carbon cycle. Hence, a city is sub-divided by built-up, „green" (parks, etc.) and informal settlements (favelas) fractions. Another aspect is a sub-division of the additional two regions, which makes the total number reaching eight regions, while the UN divides the world by six. Next, the basic model of the local carbon cycle for urbanized territories is built. We consider two processes: carbon emissions as a result of conversion of natural lands caused by urbanization; and the transformation of carbon flows by "urbanized" ecosystems; when carbon, accumulated by urban vegetation, is exported to the neighbouring territories. The total carbon flow in the model depends, in general, on two groups of parameters. The first includes the NPP, and the sum of living biomass and dead organic matter of ecosystems involved in the process of urbanization, and namely them we calculate here, using a new more realistic approach and taking into account the difference in regional cities' evolution. Conclusion There is also another group of parameters, dealing with the areas of urban territories, and their annual increments. A method of dynamic forecasting of these parameters, based

  20. Increase of Carbon Cycle Feedback with Climate Sensitivity: Results from a coupled Climate and Carbon Cycle Model

    SciTech Connect

    Govindasamy, B; Thompson, S; Mirin, A; Wickett, M; Caldeira, K; Delire, C

    2004-04-01

    Coupled climate and carbon cycle modeling studies have shown that the feedback between global warming and the carbon cycle, in particular the terrestrial carbon cycle, could accelerate climate change and result in larger warming. In this paper, we investigate the sensitivity of this feedback for year-2100 global warming in the range of 0 K to 8 K. Differing climate sensitivities to increased CO{sub 2} content are imposed on the carbon cycle models for the same emissions. Emissions from the SRES A2 scenario are used. We use a fully-coupled climate and carbon cycle model, the INtegrated Climate and CArbon model (INCCA) the NCAR/DOE Parallel Coupled Model coupled to the IBIS terrestrial biosphere model and a modified-OCMIP ocean biogeochemistry model. In our model, for scenarios with year-2100 global warming increasing from 0 to 8 K, land uptake decreases from 47% to 29% of total CO{sub 2} emissions. Due to competing effects, ocean uptake (16%) shows almost no change at all. Atmospheric CO{sub 2} concentration increases were 48% higher in the run with 8 K global climate warming than in the case with no warming. Our results indicate that carbon cycle amplification of climate warming will be greater if there is higher climate sensitivity to increased atmospheric CO{sub 2} content; the carbon cycle feedback factor increases from 1.13 to 1.48 when global warming increases from 3.2 to 8 K.

  1. Modeling water adsorption in carbon micropores: study of water in carbon molecular sieves.

    PubMed

    Rutherford, S W

    2006-01-17

    Measurements of water adsorption equilibrium in a carbon molecular sieve are undertaken in order to gain insight into the nature of water adsorption in carbon micropores. The measurements are taken at low concentrations to emphasize the role of oxygen-containing functional groups in the adsorption of water. Comparisons are made with previously published water adsorption data at higher concentrations to provide a data set spanning a wide range of loading. The assembled data set provides an opportunity for comparison of various theories for prediction of water adsorption in carbon micropores. Shortcomings of current theories are outlined, and an analytical theory that is free of these deficiencies is proposed in this investigation. With the consideration of micropore volume and pore size distribution, the experimental data and proposed isotherm model are consistent with previous studies of Takeda carbon molecular sieves. Also investigated is the uptake kinetics of water, which is characterized by a Fickian diffusion mechanism. The Maxwell-Stefan formulation is applied to characterize the dependence of the diffusional mobility upon loading.

  2. Modelling the carbon cycle though Neoproterozoic Earth system changes

    NASA Astrophysics Data System (ADS)

    Bjerrum, C. J.; Canfield, D. E.

    2011-12-01

    The Neoproterozoic-Cambrian records major changes in geochemical proxies as a result of a profound reorganization of the Earth system. Extensive glaciations and the first oxygenation of the deep ocean with a shift from sulfidic/ferruginous conditions to more oxic conditions was accompanied by the radiation of the first animals. The reorganization was also recorded in enigmatic large-amplitude fluctuations in the isotopic composition of marine carbonate carbon (δ13CIC ), were only some are associated with major known glaciations. The carbon isotope events seem to grow in amplitude through the Neoproterozoic culminating in the Shuram anomaly - the largest in Earth history. The δ13CIC events are also accompanied by changes in the isotope composition of marine organic carbon (δ13COC), where the co-variation of δ13CIC and δ13COC seems to evolve from markedly positive relationship over a subdued δ13COC variation and an almost inverse pattern. There is limited understanding as to why or how the structure of these isotope events evolved over time and how these events may tie to the reorganization of the Earth system. We use our published quantitative model of the Shuram anomaly to explore carbon cycle dynamics during the Neoproterozoic. By changing in pre-event atmosphere-ocean chemistry we explore which factors contribute to the observed patterns of the large Neoproterozoic carbon isotope events. In particular, decreasing atmospheric CO2 and a slight increase of oxygen together with an increasing CO source from rising DOC concentrations results in progressively larger event amplitudes with changing co-variation between δ13CIC and δ13COC , culminating with the structure observed for the Shurum-Wonaka anomaly in the Ediacaran. In our model, the carbon isotope excursions were driven by methane from sediment-hosted clathrate hydrate deposits. Being a powerful greenhouse gas, methane increased temperature and melted icecaps. These combined to produce a negative 18O

  3. Multi-scale Rule-of-Mixtures Model of Carbon Nanotube/Carbon Fiber/Epoxy Lamina

    NASA Technical Reports Server (NTRS)

    Frankland, Sarah-Jane V.; Roddick, Jaret C.; Gates, Thomas S.

    2005-01-01

    A unidirectional carbon fiber/epoxy lamina in which the carbon fibers are coated with single-walled carbon nanotubes is modeled with a multi-scale method, the atomistically informed rule-of-mixtures. This multi-scale model is designed to include the effect of the carbon nanotubes on the constitutive properties of the lamina. It included concepts from the molecular dynamics/equivalent continuum methods, micromechanics, and the strength of materials. Within the model both the nanotube volume fraction and nanotube distribution were varied. It was found that for a lamina with 60% carbon fiber volume fraction, the Young's modulus in the fiber direction varied with changes in the nanotube distribution, from 138.8 to 140 GPa with nanotube volume fractions ranging from 0.0001 to 0.0125. The presence of nanotube near the surface of the carbon fiber is therefore expected to have a small, but positive, effect on the constitutive properties of the lamina.

  4. Computational Modeling of Carbon Nanostructures for Energy Storage Applications

    SciTech Connect

    Feng, Guang; Huang, Jingsong; Qiao, Rui; Sumpter, Bobby G; Meunier, Vincent

    2010-01-01

    We present a theoretical model for electrical double layers formed by ion adsorption in nanoscale carbon pores. In this work a combination of computational methods, including first-principles and classical modeling, are used to explain the onset of an anomalous increase in capacitance for small pores. The study highlights the key role played by pore curvature and nanoconfinement on the capacitance performance. We emphasize the role of modeling in providing a precise understanding of the processes responsible for capacitive energy storage, and how simulations can be used to enhance desired properties and suppress unwanted ones.

  5. Carbon use efficiency of microbial communities: stoichiometry, methodology and modelling.

    PubMed

    Sinsabaugh, Robert L; Manzoni, Stefano; Moorhead, Daryl L; Richter, Andreas

    2013-07-01

    Carbon use efficiency (CUE) is a fundamental parameter for ecological models based on the physiology of microorganisms. CUE determines energy and material flows to higher trophic levels, conversion of plant-produced carbon into microbial products and rates of ecosystem carbon storage. Thermodynamic calculations support a maximum CUE value of ~ 0.60 (CUE max). Kinetic and stoichiometric constraints on microbial growth suggest that CUE in multi-resource limited natural systems should approach ~ 0.3 (CUE max /2). However, the mean CUE values reported for aquatic and terrestrial ecosystems differ by twofold (~ 0.26 vs. ~ 0.55) because the methods used to estimate CUE in aquatic and terrestrial systems generally differ and soil estimates are less likely to capture the full maintenance costs of community metabolism given the difficulty of measurements in water-limited environments. Moreover, many simulation models lack adequate representation of energy spilling pathways and stoichiometric constraints on metabolism, which can also lead to overestimates of CUE. We recommend that broad-scale models use a CUE value of 0.30, unless there is evidence for lower values as a result of pervasive nutrient limitations. Ecosystem models operating at finer scales should consider resource composition, stoichiometric constraints and biomass composition, as well as environmental drivers, to predict the CUE of microbial communities.

  6. Modelling of electronic and vibrational properties of carbon nanostructures

    NASA Astrophysics Data System (ADS)

    Margine, Elena Roxana

    The main goals of this dissertation work are the analysis and prediction of the properties of nanoscale carbon materials which hold great potential for nanotechnological applications such as strong conductive composites, field-effect transistors, diodes, rechargeable batteries, etc. Some of these exciting applications are already being actively developed, however their design via trial-and-error experimentation is often difficult and expensive. State-of-the-art simulation methods can be used as a powerful tool to streamline the path to practical implementations. In this thesis I use ab initio quantum-mechanical calculations to explore the response of nanoscale carbon materials to doping. A brief overview of the theoretical methods and of some basic concepts on carbon nanotubes are given in the first two chapters. In Chapter 3 we study the effect of doping in double-walled carbon nanotubes. These systems can be considered as nanoscale capacitors since they have two conducting (or semi-conducting) shells. The experimental work of our collaborators demonstrated for the first time that such a capacitor can be realized by the adsorption of bromine anions at the surface of the outer tube. Our theoretical analysis of the experimental results revealed that this quantum system, surprisingly, behaves exactly as the classical Faraday cage: the electric charge always resides on the outside surface of the conductor, even when the pristine tubes are not metallic. In Chapter 4 I present our findings on the phonon frequencies' response to electron doping in single-walled carbon nanotubes. It is well established that when graphite is doped with electrons, carbon-carbon bonds lengthen and all vibrational frequencies soften. However, in semiconducting carbon nanotubes, the frequency of one mode increases at low levels of alkali doping. Having carefully modelled the process with ab initio methods we conclude that the unusual behavior of the vibrational mode depends on which electronic

  7. Benchmark analysis of parameterization for terrestrial carbon cycle model (Invited)

    NASA Astrophysics Data System (ADS)

    Luo, Y.; Zhou, X.; Verburg, P.; Arnone, J.

    2010-12-01

    Parameterization of terrestrial ecosystem models plays an important role in accurately predicting carbon-climate feedback. More and more studies have shown that a fixed set of parameters cannot adequately represent spatial and temporal variations of ecosystem functions over broad geographical locations and/or over long time. In this study, we conducted benchmark analysis of a terrestrial ecosystem (TECO) model against a highly accurate data set from mesocosm study in Ecologically Controlled Enclosed Lysimeter Laboratories (EcoCELLs) at Desert Research Institute, Reno, Nevada. The mesocosm study involved shoot and whole plant harvests in fall, fallow during winter, and fertilization treatments in year 2. We used a Markov chain Monte Carlo (MCMC) technique to estimate parameters of the TECO model and measure the model performance with estimated parameters. Our analysis showed that the model performance with one set of estimated parameters was poor over a two-year experimental duration. The model performance was slightly improved with root exudation as an additional mechanism of carbon transfer from plants to rhizosphere. The performance was significantly improved when five sets of parameters were estimated for five respective periods, which spanned from seeding to shoot harvest in year 1, from shoot to whole plant harvest in year 1, fallow, from seeding to plant harvest with fertilization in year 2, and from plant harvest to the end of the project in year 2. The five sets of parameter values are significantly different, indicating that experimental treatments caused discontinuous (or discrete) changes in ecosystem processes. The discontinuous changes in ecosystem processes pose significant challenges for carbon cycle model parameterization and generate uncertainties for model prediction.

  8. Thermal modeling of carbon-epoxy laminates in fire environments.

    SciTech Connect

    McGurn, Matthew T. , Buffalo, NY); DesJardin, Paul Edward , Buffalo, NY); Dodd, Amanda B.

    2010-10-01

    A thermal model is developed for the response of carbon-epoxy composite laminates in fire environments. The model is based on a porous media description that includes the effects of gas transport within the laminate along with swelling. Model comparisons are conducted against the data from Quintere et al. Simulations are conducted for both coupon level and intermediate scale one-sided heating tests. Comparisons of the heat release rate (HRR) as well as the final products (mass fractions, volume percentages, porosity, etc.) are conducted. Overall, the agreement between available the data and model is excellent considering the simplified approximations to account for flame heat flux. A sensitivity study using a newly developed swelling model shows the importance of accounting for laminate expansion for the prediction of burnout. Excellent agreement is observed between the model and data of the final product composition that includes porosity, mass fractions and volume expansion ratio.

  9. Carbon isotopes in the ocean model of the Community Earth System Model (CESM1)

    NASA Astrophysics Data System (ADS)

    Jahn, A.; Lindsay, K.; Giraud, X.; Gruber, N.; Otto-Bliesner, B. L.; Liu, Z.; Brady, E. C.

    2015-08-01

    Carbon isotopes in the ocean are frequently used as paleoclimate proxies and as present-day geochemical ocean tracers. In order to allow a more direct comparison of climate model results with this large and currently underutilized data set, we added a carbon isotope module to the ocean model of the Community Earth System Model (CESM), containing the cycling of the stable isotope 13C and the radioactive isotope 14C. We implemented the 14C tracer in two ways: in the "abiotic" case, the 14C tracer is only subject to air-sea gas exchange, physical transport, and radioactive decay, while in the "biotic" version, the 14C additionally follows the 13C tracer through all biogeochemical and ecological processes. Thus, the abiotic 14C tracer can be run without the ecosystem module, requiring significantly fewer computational resources. The carbon isotope module calculates the carbon isotopic fractionation during gas exchange, photosynthesis, and calcium carbonate formation, while any subsequent biological process such as remineralization as well as any external inputs are assumed to occur without fractionation. Given the uncertainty associated with the biological fractionation during photosynthesis, we implemented and tested three parameterizations of different complexity. Compared to present-day observations, the model is able to simulate the oceanic 14C bomb uptake and the 13C Suess effect reasonably well compared to observations and other model studies. At the same time, the carbon isotopes reveal biases in the physical model, for example, too sluggish ventilation of the deep Pacific Ocean.

  10. Computer-Aided Process Model For Carbon/Phenolic Materials

    NASA Technical Reports Server (NTRS)

    Letson, Mischell A.; Bunker, Robert C.

    1996-01-01

    Computer program implements thermochemical model of processing of carbon-fiber/phenolic-matrix composite materials into molded parts of various sizes and shapes. Directed toward improving fabrication of rocket-engine-nozzle parts, also used to optimize fabrication of other structural components, and material-property parameters changed to apply to other materials. Reduces costs by reducing amount of laboratory trial and error needed to optimize curing processes and to predict properties of cured parts.

  11. Consolidating soil carbon turnover models by improved estimates of belowground carbon input

    NASA Astrophysics Data System (ADS)

    Taghizadeh-Toosi, Arezoo; Christensen, Bent T.; Glendining, Margaret; Olesen, Jørgen E.

    2016-09-01

    World soil carbon (C) stocks are third only to those in the ocean and earth crust, and represent twice the amount currently present in the atmosphere. Therefore, any small change in the amount of soil organic C (SOC) may affect carbon dioxide (CO2) concentrations in the atmosphere. Dynamic models of SOC help reveal the interaction among soil carbon systems, climate and land management, and they are also frequently used to help assess SOC dynamics. Those models often use allometric functions to calculate soil C inputs in which the amount of C in both above and below ground crop residues are assumed to be proportional to crop harvest yield. Here we argue that simulating changes in SOC stocks based on C input that are proportional to crop yield is not supported by data from long-term experiments with measured SOC changes. Rather, there is evidence that root C inputs are largely independent of crop yield, but crop specific. We discuss implications of applying fixed belowground C input regardless of crop yield on agricultural greenhouse gas mitigation and accounting.

  12. Consolidating soil carbon turnover models by improved estimates of belowground carbon input

    PubMed Central

    Taghizadeh-Toosi, Arezoo; Christensen, Bent T.; Glendining, Margaret; Olesen, Jørgen E.

    2016-01-01

    World soil carbon (C) stocks are third only to those in the ocean and earth crust, and represent twice the amount currently present in the atmosphere. Therefore, any small change in the amount of soil organic C (SOC) may affect carbon dioxide (CO2) concentrations in the atmosphere. Dynamic models of SOC help reveal the interaction among soil carbon systems, climate and land management, and they are also frequently used to help assess SOC dynamics. Those models often use allometric functions to calculate soil C inputs in which the amount of C in both above and below ground crop residues are assumed to be proportional to crop harvest yield. Here we argue that simulating changes in SOC stocks based on C input that are proportional to crop yield is not supported by data from long-term experiments with measured SOC changes. Rather, there is evidence that root C inputs are largely independent of crop yield, but crop specific. We discuss implications of applying fixed belowground C input regardless of crop yield on agricultural greenhouse gas mitigation and accounting. PMID:27580672

  13. Consolidating soil carbon turnover models by improved estimates of belowground carbon input.

    PubMed

    Taghizadeh-Toosi, Arezoo; Christensen, Bent T; Glendining, Margaret; Olesen, Jørgen E

    2016-09-01

    World soil carbon (C) stocks are third only to those in the ocean and earth crust, and represent twice the amount currently present in the atmosphere. Therefore, any small change in the amount of soil organic C (SOC) may affect carbon dioxide (CO2) concentrations in the atmosphere. Dynamic models of SOC help reveal the interaction among soil carbon systems, climate and land management, and they are also frequently used to help assess SOC dynamics. Those models often use allometric functions to calculate soil C inputs in which the amount of C in both above and below ground crop residues are assumed to be proportional to crop harvest yield. Here we argue that simulating changes in SOC stocks based on C input that are proportional to crop yield is not supported by data from long-term experiments with measured SOC changes. Rather, there is evidence that root C inputs are largely independent of crop yield, but crop specific. We discuss implications of applying fixed belowground C input regardless of crop yield on agricultural greenhouse gas mitigation and accounting.

  14. Accounting for agriculture in modelling the global terrestrial carbon cycle

    NASA Astrophysics Data System (ADS)

    Bondeau, A.; Smith, P.; Schaphoff, S.; Zaehle, S.; Smith, B.; Sitch, S.; Gerten, D.; Schröder, B.; Lucht, W.; Cramer, W.

    2003-04-01

    Among the different approaches that investigate the role of the terrestrial biosphere within the global carbon cycle, Dynamic Global Vegetation Models (DGVMs) are an important tool. They represent the major biogeochemical mechanisms (carbon and water fluxes), depending on climate and soil, in order to simulate vegetation type (tree/grass, evergreen/deciduous, etc) as well as ecosystem function. The models should be validated for different features at various scales, in order to be used to assess the future terrestrial productivity in relation to climate change scenarios. The Lund-Potsdam-Jena (LPJ) model (Sitch et al. 2002) is one of the few existing DGVMs, from which some interesting features have been validated like the seasonal atmospheric CO2 concentrations as measured at the global network of monitoring stations, the increase of the growing season length in the northern areas (Lucht et al. 2002), the runoff of large catchment (Gerten et al. Nice 2003, session HS25). In agreement with other models, LPJ estimates that the terrestrial biosphere is currently a carbon sink that will reduce in the middle of the century because of climate change (Cramer et al. 2000). However, regarding the terrestrial productivity, land use and cover change might be even more important than climate change. Until now, none of the global vegetation models were considering agriculture, or in the best case, agricultural areas were represented as a grassland. We describe the first implementation of crop parameterization within LPJ. As compared to natural vegetation, the main features of crops that must be accounted for in a global vegetation model are: i) the specific phenology, related to the sowing date, ii) the farming practices (nutrient inputs, irrigation), iii) the man-made dynamics (harvest, choice of variety, crop rotation). In a first step we consider the 8 crops types for which a global land cover data set is available for the 20th Century (RIVM). A simple phenological model

  15. Ab initio thermodynamic model for magnesium carbonates and hydrates.

    PubMed

    Chaka, Anne M; Felmy, Andrew R

    2014-09-04

    An ab initio thermodynamic framework for predicting properties of hydrated magnesium carbonate minerals has been developed using density-functional theory linked to macroscopic thermodynamics through the experimental chemical potentials for MgO, water, and CO2. Including semiempirical dispersion via the Grimme method and small corrections to the generalized gradient approximation of Perdew, Burke, and Ernzerhof for the heat of formation yields a model with quantitative agreement for the benchmark minerals brucite, magnesite, nesquehonite, and hydromagnesite. The model shows how small differences in experimental conditions determine whether nesquehonite, hydromagnesite, or magnesite is the result of laboratory synthesis from carbonation of brucite, and what transformations are expected to occur on geological time scales. Because of the reliance on parameter-free first-principles methods, the model is reliably extensible to experimental conditions not readily accessible to experiment and to any mineral composition for which the structure is known or can be hypothesized, including structures containing defects, substitutions, or transitional structures during solid state transformations induced by temperature changes or processes such as water, CO2, or O2 diffusion. Demonstrated applications of the ab initio thermodynamic framework include an independent means to evaluate differences in thermodynamic data for lansfordite, predicting the properties of Mg analogues of Ca-based hydrated carbonates monohydrocalcite and ikaite, which have not been observed in nature, and an estimation of the thermodynamics of barringtonite from the stoichiometry and a single experimental observation.

  16. Ab Initio Thermodynamic Model for Magnesium Carbonates and Hydrates

    SciTech Connect

    Chaka, Anne M.; Felmy, Andrew R.

    2014-03-28

    An ab initio thermodynamic framework for predicting properties of hydrated magnesium carbonate minerals has been developed using density-functional theory linked to macroscopic thermodynamics through the experimental chemical potentials for MgO, water, and CO2. Including semiempirical dispersion via the Grimme method and small corrections to the generalized gradient approximation of Perdew, Burke, and Ernzerhof for the heat of formation yields a model with quantitative agreement for the benchmark minerals brucite, magnesite, nesquehonite, and hydromagnesite. The model shows how small differences in experimental conditions determine whether nesquehonite, hydromagnesite, or magnesite is the result of laboratory synthesis from carbonation of brucite, and what transformations are expected to occur on geological time scales. Because of the reliance on parameter-free first principles methods, the model is reliably extensible to experimental conditions not readily accessible to experiment and to any mineral composition for which the structure is known or can be hypothesized, including structures containing defects, substitutions, or transitional structures during solid state transformations induced by temperature changes or processes such as water, CO2, or O2 diffusion. Demonstrated applications of the ab initio thermodynamic framework include an independent means to evaluate differences in thermodynamic data for lansfordite, predicting the properties of Mg analogs of Ca-based hydrated carbonates monohydrocalcite and ikaite which have not been observed in nature, and an estimation of the thermodynamics of barringtonite from the stoichiometry and a single experimental observation.

  17. [Mathematical model of the global carbon cycle in the biosphere].

    PubMed

    Tarko, A M

    2010-01-01

    Changes in the atmospheric carbon dioxide concentration, temperatures of the atmosphere, and parameters of land biota as a result of anthropogenic carbon dioxide emissions, forest clearance, and soil erosion are calculated in a spatial mathematical model of the global carbon cycle in the biosphere. Restrictions on the CO2 emissions to the atmosphere are deduced from the requirements of Kyoto Protocol to The UN Framework Convention on Climate Change and other scenarios. An ability is revealed for the atmospheric CO2 concentration to grow fast, which arises from a number of emerging and developing countries with large population and high CO2 emission rates and which surpasses greatly the effect of growth retardation due to Kyoto Protocol. Those countries' role will become mostly apparent to the year of 2060 and later. Russia has shown to be in an exclusive position relative to other countries: ecosystems of its territory absorb more of the atmospheric carbon dioxide than does any other country, and the inductrial emissions from its territory are practically equal to the absorption by ecosystems.

  18. Modeling trapping mechanism for PCB adsorption on activated carbon

    NASA Astrophysics Data System (ADS)

    Jensen, Bjørnar; Kvamme, Bjørn; Kuznetsova, Tatyana; Oterhals, A.˚ge

    2012-12-01

    The levels of polychlorinated dibenzo-p-dioxin, polychlorinated dibenzofuran (PCDD/F) and dioxin-like polychlorinated biphenyl (DL-PCB) in fishmeal and fish oil produced for use in feed for salmon is above present European legislation levels in some regions of the world and different decontamination approaches have been proposed [1]. One of these is adsorption on activated carbon. This approach appears to be efficient for adsorption of PCDD/F but less efficient for DL-PCB [2]. Activated carbon consists of slit pores with average sizes of 20 - 50 Ångstroms. One hypothesis [2] for the mechanism of trapping DL-PCB is reduced ability for intramolecular movements of the PCB molecules inside the slit pores. In order to investigate this hypothesis we have used quantum mechanics [3] to characterize two DL-PCB congeners, respectively congener 77 (3,3',4,4'-Tetrachlorobiphenyl) and congener 118 (2,3',4,4',5-Pentachlorobiphenyl) and Triolein (18:1) [4] as a major constituent of the solvent fish oil. A model for activated carbon was constructed using a crystal structure of graphite from the American Mineralogist Crystal Structure Database [5]. The crystal structure used was originally from Wyckoff [6]. A small program had to be written to generate the desired graphite structure as it contains no less than 31232 Carbon atoms. Partial atomic charges were estimated using QM with DFT/B3LYP/6-311+g** and SM6 [7].

  19. A fungal growth model fitted to carbon-limited dynamics of Rhizoctonia solani.

    PubMed

    Jeger, M J; Lamour, A; Gilligan, C A; Otten, W

    2008-01-01

    Here, a quasi-steady-state approximation was used to simplify a mathematical model for fungal growth in carbon-limiting systems, and this was fitted to growth dynamics of the soil-borne plant pathogen and saprotroph Rhizoctonia solani. The model identified a criterion for invasion into carbon-limited environments with two characteristics driving fungal growth, namely the carbon decomposition rate and a measure of carbon use efficiency. The dynamics of fungal spread through a population of sites with either low (0.0074 mg) or high (0.016 mg) carbon content were well described by the simplified model with faster colonization for the carbon-rich environment. Rhizoctonia solani responded to a lower carbon availability by increasing the carbon use efficiency and the carbon decomposition rate following colonization. The results are discussed in relation to fungal invasion thresholds in terms of carbon nutrition.

  20. Controls of soil carbon stock development – comparison of Swedish forest soil carbon inventory measurements and two process based models

    NASA Astrophysics Data System (ADS)

    Ťupek, Boris; Ortiz, Carina; Stendahl, Johan; Hashimoto, Shoji; Dahlgren, Jonas; Lehtonen, Aleksi

    2015-04-01

    The key question in greenhouse gas research, whether the soils continue to sequester carbon under the conditions of climate change, is mainly evaluated by process based modelling. However, the models based on key processes of carbon cycle ignore more complex environmental effects for the sake of simplicity. In our study, based on extensive measurements of Swedish forest soil carbon inventory, we used the recursive partitioning and boosted regression trees methods to identify the governing controls of soil carbon stocks, and for these controls we compared the carbon stocks of measurements with carbon estimates of Yasso07 and CENTURY state of art models. The models were strongly vegetation and weather driven, whereas the soil carbon stocks of measurements were controlled mainly by the soil factors (e.g. cation exchange capacity, C/N ratio). Contrary to our expectation, the more complex CENTURY, which indirectly accounted for the exchangeable cations by incorporating the clay content into the model structure, still heavily depended on the amount of litter input and generally performed worse, than simpler Yasso07, that ignored the soil properties. When estimating the carbon stock for the specific soil type management, the soil properties should be considered while keeping the plant-weather related processes and parameters in their calibrated optimum.

  1. Experimental study and modeling of swelling and bubble growth in carbon nanofiber filled mesophase pitch during carbonization

    NASA Astrophysics Data System (ADS)

    Calebrese, Christopher

    Graphite and all carbon bipolar plates show corrosion resistance in fuel cells and provide good electrical conductivity. These materials typically need to be individually machined, a time consuming and costly process. Mesophase pitch is used to manufacture carbon fibers and carbon-carbon composites. This material provides a good starting point for the production of a moldable, all carbon bipolar plate. However, processing of mesophase pitch to produce all carbon materials requires a time intensive oxidation step to prevent swelling during carbonization. In this work, carbon nanofibers were used to reduce swelling in mesophase pitch. It was found that the increase in viscosity with the addition of carbon nanofibers was responsible for the reduction in swelling. The influence of the filler became apparent above the percolation threshold. At loadings below the percolation threshold, the swelling of the mesophase pitch was not reduced after carbonization. The swelling of the mesophase pitch at a given carbon nanofiber loading was also dependent on the length of the carbon nanofibers. Longer carbon nanofibers led to greater increases in the viscosity of the melt and thus led to greater reduction in swelling. The final carbon product was evaluated for use as a low temperature fuel cell bipolar plate material. Constraining the mesophase pitch during carbonization led to a final product with strength and electrical conductivity comparable to current composite bipolar plate materials. The addition of micron size chopped glass fibers with a softening point near 850°C and carbon nanofibers led to a final product with air permeability less than that of graphite. A spherically symmetric, single bubble growth model was also developed. The model included temperature dependence, liquid to bubble mass transfer and reactions in the system. Results from simulations showed that that the increase in viscosity due to the addition of carbon nanofibers slows the growth of bubbles, but

  2. The "Carbon Data Explorer": Web-Based Space-Time Visualization of Modeled Carbon Fluxes

    NASA Astrophysics Data System (ADS)

    Billmire, M.; Endsley, K. A.

    2014-12-01

    The visualization of and scientific "sense-making" from large datasets varying in both space and time is a challenge; one that is still being addressed in a number of different fields. The approaches taken thus far are often specific to a given academic field due to the unique questions that arise in different disciplines, however, basic approaches such as geographic maps and time series plots are still widely useful. The proliferation of model estimates of increasing size and resolution further complicates what ought to be a simple workflow: Model some geophysical phenomen(on), obtain results and measure uncertainty, organize and display the data, make comparisons across trials, and share findings. A new tool is in development that is intended to help scientists with the latter parts of that workflow. The tentatively-titled "Carbon Data Explorer" (http://spatial.mtri.org/flux-client/) enables users to access carbon science and related spatio-temporal science datasets over the web. All that is required to access multiple interactive visualizations of carbon science datasets is a compatible web browser and an internet connection. While the application targets atmospheric and climate science datasets, particularly spatio-temporal model estimates of carbon products, the software architecture takes an agnostic approach to the data to be visualized. Any atmospheric, biophysical, or geophysical quanity that varies in space and time, including one or more measures of uncertainty, can be visualized within the application. Within the web application, users have seamless control over a flexible and consistent symbology for map-based visualizations and plots. Where time series data are represented by one or more data "frames" (e.g. a map), users can animate the data. In the "coordinated view," users can make direct comparisons between different frames and different models or model runs, facilitating intermodal comparisons and assessments of spatio-temporal variability. Map

  3. Modeling of Carbon Migration During JET Injection Experiments

    SciTech Connect

    Strachan, J. D.; Likonen, J.; Coad, P.; Rubel, M.; Widdowson, A.; Airila, M.; Andrew, P.; Brezinsek, S.; Corrigan, G.; Esser, H. G.; Jachmich, S.; Kallenbach, A.; Kirschner, A.; Kreter, A.; Matthews, G. F.; Philipps, V.; Pitts, R. A.; Spence, J.; Stamp, M.; Wiesen, S.

    2008-10-15

    JET has performed two dedicated carbon migration experiments on the final run day of separate campaigns (2001 and 2004) using {sup 13}CH{sub 4} methane injected into repeated discharges. The EDGE2D/NIMBUS code modelled the carbon migration in both experiments. This paper describes this modelling and identifies a number of important migration pathways: (1) deposition and erosion near the injection location, (2) migration through the main chamber SOL, (3) migration through the private flux region aided by E x B drifts, and (4) neutral migration originating near the strike points. In H-Mode, type I ELMs are calculated to influence the migration by enhancing erosion during the ELM peak and increasing the long-range migration immediately following the ELM. The erosion/re-deposition cycle along the outer target leads to a multistep migration of {sup 13}C towards the separatrix which is called 'walking'. This walking created carbon neutrals at the outer strike point and led to {sup 13}C deposition in the private flux region. Although several migration pathways have been identified, quantitative analyses are hindered by experimental uncertainty in divertor leakage, and the lack of measurements at locations such as gaps and shadowed regions.

  4. Modeling the kinetics of carbon coagulation in explosives detonation

    NASA Astrophysics Data System (ADS)

    Ree, F. H.; Viecelli, J. A.; Glosli, J. N.

    1998-05-01

    A typical insensitive high explosive such as LX-17 has a large carbon content. The detonation behavior of these explosives is affected by a slow coagulation of carbon atoms by diffusion and their possible transformation from one chemical bonding type to another. We have used the Brenner bond order potential to compute the melting line of diamond at high pressure and high temperature by molecular dynamics and Monte Carlo simulations, with the goal to refine the potential for the study of the kinetics of the graphite diamond transition. The slow diffusion-controlled kinetics of carbon clusters has been examined by including a time-dependent surface correction to the Gibbs free energy of these clusters in the nonequilibrium CHEQ code. We also propose a new explosive burn model which incorporates a partial release of the heat of detonation in a fast reaction zone, followed by a diffusion-limited release of the remaining energy. Hydrodynamic applications of the new burn model to LX-17 show that computed expansion and compression results both agree closely with experimental data.

  5. Electron percolation in realistic models of carbon nanotube networks

    SciTech Connect

    Simoneau, Louis-Philippe Villeneuve, Jérémie Rochefort, Alain

    2015-09-28

    The influence of penetrable and curved carbon nanotubes (CNT) on the charge percolation in three-dimensional disordered CNT networks have been studied with Monte-Carlo simulations. By considering carbon nanotubes as solid objects but where the overlap between their electron cloud can be controlled, we observed that the structural characteristics of networks containing lower aspect ratio CNT are highly sensitive to the degree of penetration between crossed nanotubes. Following our efficient strategy to displace CNT to different positions to create more realistic statistical models, we conclude that the connectivity between objects increases with the hard-core/soft-shell radii ratio. In contrast, the presence of curved CNT in the random networks leads to an increasing percolation threshold and to a decreasing electrical conductivity at saturation. The waviness of CNT decreases the effective distance between the nanotube extremities, hence reducing their connectivity and degrading their electrical properties. We present the results of our simulation in terms of thickness of the CNT network from which simple structural parameters such as the volume fraction or the carbon nanotube density can be accurately evaluated with our more realistic models.

  6. Electron percolation in realistic models of carbon nanotube networks

    NASA Astrophysics Data System (ADS)

    Simoneau, Louis-Philippe; Villeneuve, Jérémie; Rochefort, Alain

    2015-09-01

    The influence of penetrable and curved carbon nanotubes (CNT) on the charge percolation in three-dimensional disordered CNT networks have been studied with Monte-Carlo simulations. By considering carbon nanotubes as solid objects but where the overlap between their electron cloud can be controlled, we observed that the structural characteristics of networks containing lower aspect ratio CNT are highly sensitive to the degree of penetration between crossed nanotubes. Following our efficient strategy to displace CNT to different positions to create more realistic statistical models, we conclude that the connectivity between objects increases with the hard-core/soft-shell radii ratio. In contrast, the presence of curved CNT in the random networks leads to an increasing percolation threshold and to a decreasing electrical conductivity at saturation. The waviness of CNT decreases the effective distance between the nanotube extremities, hence reducing their connectivity and degrading their electrical properties. We present the results of our simulation in terms of thickness of the CNT network from which simple structural parameters such as the volume fraction or the carbon nanotube density can be accurately evaluated with our more realistic models.

  7. Carbon dioxide, climate and the deep ocean circulation: Carbon chemistry model. Final report

    SciTech Connect

    Menawat, A.S.

    1992-09-21

    The objective of this study was to investigate the role of oceanic carbon chemistry in modulating the atmospheric levels of CO{sub 2}. It is well known that the oceans are the primary sink of the excess carbon pumped into the atmosphere since the beginning of the industrial period. The suspended particulate and the dissolved organic matters in the deep ocean play important roles as carriers of carbon and other elements critical to the fate of CO{sub 2}. In addition, the suspended particulate matter provides sites for oxidation-reduction reactions and microbial activities. The problem is of an intricate system with complex chemical, physical and biological processes. This report describes a methodology to describe the interconversions of different forms of the organic and inorganic nutrients, that may be incorporated in the ocean circulation models. Our approach includes the driving force behind the transfers in addition to balancing the elements. Such thermodynamic considerations of describing the imbalance in the chemical potentials is a new and unique feature of our approach.

  8. Carbon dioxide, climate and the deep ocean circulation: Carbon chemistry model

    SciTech Connect

    Menawat, A.S.

    1992-09-21

    The objective of this study was to investigate the role of oceanic carbon chemistry in modulating the atmospheric levels of CO[sub 2]. It is well known that the oceans are the primary sink of the excess carbon pumped into the atmosphere since the beginning of the industrial period. The suspended particulate and the dissolved organic matters in the deep ocean play important roles as carriers of carbon and other elements critical to the fate of CO[sub 2]. In addition, the suspended particulate matter provides sites for oxidation-reduction reactions and microbial activities. The problem is of an intricate system with complex chemical, physical and biological processes. This report describes a methodology to describe the interconversions of different forms of the organic and inorganic nutrients, that may be incorporated in the ocean circulation models. Our approach includes the driving force behind the transfers in addition to balancing the elements. Such thermodynamic considerations of describing the imbalance in the chemical potentials is a new and unique feature of our approach.

  9. Uncertain future soil carbon dynamics under global change predicted by models constrained by total carbon measurements.

    PubMed

    Luo, Zhongkui; Wang, Enli; Sun, Osbert J

    2017-01-23

    Pool-based carbon (C) models are widely applied to predict soil C dynamics under global change and infer underlying mechanisms. However, it is unclear about the credibility of model-predicted C pool size, decay rate (k) and/or microbial C use efficiency (e) as only data on bulked total C is usually available for model-constraining. Using observing system simulation experiments (OSSE), we constrained a two-pool model using simulated datasets of total soil C dynamics under topical hypotheses on responses of soil C dynamics to warming and elevated CO2 (i.e., global change scenarios). The results indicated that the model predicted great uncertainties in C pool size, k and e under all global change scenarios, resulting in the difficulty to correctly infer the presupposed "real" values of those parameters that are used to generate the simulated total soil C for constraining the model. Furthermore, the model using the constrained parameters generated divergent future soil C dynamics. Compared with the predictions using the presupposed real parameters (i.e., the real future C dynamics), the percentage uncertainty in 100-year predictions using the constrained parameters was up to 45% depending on global change scenarios and data availability for model-constraining. Such great uncertainty was mainly due to the high collinearity among the model parameters. Using pool-based models, we argue that soil C pool size, k and/or e and their responses to global change have to be estimated explicitly and empirically, rather than through model-fitting, in order to accurately predict C dynamics and infer underlying mechanisms. The OSSE approach provides a powerful way to identify data requirement for the new generation of model development and test model performance. This article is protected by copyright. All rights reserved.

  10. Circulation of carbon dioxide in the mantle: multiscale modeling

    NASA Astrophysics Data System (ADS)

    Morra, G.; Yuen, D. A.; Lee, S.

    2012-12-01

    Much speculation has been put forward on the quantity and nature of carbon reservoirs in the deep Earth, because of its involvement in the evolution of life at the surface and inside planetary interiors. Carbon penetrates into the Earth's mantle mostly during subduction of oceanic crust, which contains carbonate deposits [1], however the form that it assumes at lower mantle depths is scarcely understood [2], hampering our ability to estimate the amount of carbon in the entire mantle by orders of magnitude. We present simulations of spontaneous degassing of supercritical CO2 using in-house developed novel implementations of the Fast-Multipole Boundary Element Method suitable for modeling two-phase flow (here mantle mineral and free CO2 fluid) through disordered materials such as porous rocks. Because the mutual interaction of droplets immersed either in a fluid or a solid matrix and their weakening effect to the host rock alters the strength of the mantle rocks, at the large scale the fluid phases in the mantle may control the creeping of mantle rocks [3]. In particular our study focuses on the percolation of supercritical CO2, estimated through the solution of the Laplace equation in a porous system, stochastically generated through a series of random Karhunen-Loeve decomposition. The model outcome is employed to extract the transmissivity of supercritical fluids in the mantle from the lowest scale up to the mantle scale and in combination with the creeping flow of the convecting mantle. The emerging scenarios on the global carbon cycle are finally discussed. [1] Boulard, E., et al., New host for carbon in the deep Earth. Proceedings of the National Academy of Sciences, 2011. 108(13): p. 5184-5187. [2] Walter, M.J., et al., Deep Mantle Cycling of Oceanic Crust: Evidence from Diamonds and Their Mineral Inclusions. Science, 2011. 334(6052): p. 54-57. [3] Morra, G., et al., Ascent of Bubbles in Magma Conduits Using Boundary Elements and Particles. Procedia Computer

  11. DESPOT, a process-based tree growth model that allocates carbon to maximize carbon gain.

    PubMed

    Buckley, Thomas N; Roberts, David W

    2006-02-01

    We present a new model of tree growth, DESPOT (Deducing Emergent Structure and Physiology Of Trees), in which carbon (C) allocation is adjusted in each time step to maximize whole-tree net C gain in the next time step. Carbon gain, respiration and the acquisition and transport of substitutable photosynthetic resources (nitrogen, water and light) are modeled on a process basis. The current form of DESPOT simulates a uniform, monospecific, self-thinning stand. This paper describes DESPOT and its general behavior in comparison to published data, and presents an evaluation of the sensitivity of its qualitative predictions by Monte Carlo parameter sensitivity analysis. DESPOT predicts determinate height growth and steady stand-level net primary productivity (NPP), but slow declines in aboveground NPP and leaf area index. Monte Carlo analysis, wherein the model was run repeatedly with randomly different parameter sets, revealed that many parameter sets do not lead to sustainable NPP. Of those that do lead to sustainable growth, the ratios at maturity of net to gross primary productivity and of leaf area to sapwood area are highly conserved.

  12. A heterogeneous model for gas transport in carbon molecular sieves.

    PubMed

    Ding, L P; Yuan, Y X; Farooq, S; Bhatia, S K

    2005-01-18

    A dual resistance model with distribution of either barrier or pore diffusional activation energy is proposed in this work for gas transport in carbon molecular sieve (CMS) micropores. This is a novel approach in which the equilibrium is homogeneous, but the kinetics is heterogeneous. The model seems to provide a possible explanation for the concentration dependence of the thermodynamically corrected barrier and pore diffusion coefficients observed in previous studies from this laboratory on gas diffusion in CMS. The energy distribution is assumed to follow the gamma distribution function. It is shown that the energy distribution model can fully capture the behavior described by the empirical model established in earlier studies to account for the concentration dependence of thermodynamically corrected barrier and pore diffusion coefficients. A methodology is proposed for extracting energy distribution parameters, and it is further shown that the extracted energy distribution parameters can effectively predict integral uptake and column breakthrough profiles over a wide range of operating pressures.

  13. Characterization and Modeling Of Microbial Carbon Metabolism In Thawing Permafrost

    NASA Astrophysics Data System (ADS)

    Graham, D. E.; Phelps, T. J.; Xu, X.; Carroll, S.; Jagadamma, S.; Shakya, M.; Thornton, P. E.; Elias, D. A.

    2012-12-01

    Increased annual temperatures in the Arctic are warming the surface and subsurface, resulting in thawing permafrost. Thawing exposes large pools of buried organic carbon to microbial degradation, increasing greenhouse gas generation and emission. Most global-scale land-surface models lack depth-dependent representations of carbon conversion and GHG transport; therefore they do not adequately describe permafrost thawing or microbial mineralization processes. The current work was performed to determine how permafrost thawing at moderately elevated temperatures and anoxic conditions would affect CO2 and CH4 generation, while parameterizing depth-dependent GHG production processes with respect to temperature and pH in biogeochemical models. These enhancements will improve the accuracy of GHG emission predictions and identify key biochemical and geochemical processes for further refinement. Three core samples were obtained from discontinuous permafrost terrain in Fairbanks, AK with a mean annual temperature of -3.3 °C. Each core was sectioned into surface/near surface (0-0.8 m), active layer (0.8-1.6 m), and permafrost (1.6-2.2 m) horizons, which were homogenized for physico-chemical characterization and microcosm construction. Surface samples had low pH values (6.0), low water content (18% by weight), low organic carbon (0.8%), and high C:N ratio (43). Active layer samples had higher pH values (6.4), higher water content (34%), more organic carbon (1.4%) and a lower C:N ratio (24). Permafrost samples had the highest pH (6.5), highest water content (46%), high organic carbon (2.5%) and the lowest C:N ratio (19). Most organic carbon was quantified as labile or intermediate pool versus stable pool in each sample, and all samples had low amounts of carbonate. Surface layer microcosms, containing 20 g sediment in septum-sealed vials, were incubated under oxic conditions, while similar active and permafrost layer samples were anoxic. These microcosms were incubated at -2

  14. Synthesis, characterization, and modeling of hydrogen storage in carbon aerogels

    SciTech Connect

    Pekala, R.W.; Coronado, P.R.; Calef, D.F.

    1995-04-01

    Carbon aerogels are a special class of open-cell foams with an ultrafine cell/pore size (<50 nm), high surface area (600-800 m{sup 2}/g), and a solid matrix composed of interconnected colloidal-like particles or fibers with characteristic diameters of 10 nm. These materials are usually synthesized from the sol-gel polymerization of resorcinol-formaldehyde or phenolic-furfural, followed by supercritical extraction of the solvent and pyrolysis in an inert atmosphere. The resultant aerogel has a nanocrystalline structure with micropores (<2 nm diameter) located within the solid matrix. Carbon aerogel monoliths can be prepared at densities ranging from 0.05-1.0 g/cm{sup 3}, leading to volumetric surface areas (> 500 m{sup 2}/cm{sup 3}) that are much larger than commercially available materials. This research program is directed at optimization of the aerogel structure for maximum hydrogen adsorption over a wide range of temperatures and pressures. Computer modeling of hydrogen adsorption at carbon surfaces was also examined.

  15. Multiphase modeling of geologic carbon sequestration in saline aquifers.

    PubMed

    Bandilla, Karl W; Celia, Michael A; Birkholzer, Jens T; Cihan, Abdullah; Leister, Evan C

    2015-01-01

    Geologic carbon sequestration (GCS) is being considered as a climate change mitigation option in many future energy scenarios. Mathematical modeling is routinely used to predict subsurface CO2 and resident brine migration for the design of injection operations, to demonstrate the permanence of CO2 storage, and to show that other subsurface resources will not be degraded. Many processes impact the migration of CO2 and brine, including multiphase flow dynamics, geochemistry, and geomechanics, along with the spatial distribution of parameters such as porosity and permeability. In this article, we review a set of multiphase modeling approaches with different levels of conceptual complexity that have been used to model GCS. Model complexity ranges from coupled multiprocess models to simplified vertical equilibrium (VE) models and macroscopic invasion percolation models. The goal of this article is to give a framework of conceptual model complexity, and to show the types of modeling approaches that have been used to address specific GCS questions. Application of the modeling approaches is shown using five ongoing or proposed CO2 injection sites. For the selected sites, the majority of GCS models follow a simplified multiphase approach, especially for questions related to injection and local-scale heterogeneity. Coupled multiprocess models are only applied in one case where geomechanics have a strong impact on the flow. Owing to their computational efficiency, VE models tend to be applied at large scales. A macroscopic invasion percolation approach was used to predict the CO2 migration at one site to examine details of CO2 migration under the caprock.

  16. Observed and modeled carbon and energy fluxes for agricultural sites under North American Carbon Program site-level interim synthesis

    NASA Astrophysics Data System (ADS)

    Lokupitiya, E. Y.; Denning, A.

    2010-12-01

    Croplands are unique, man-made ecosystems with dynamics mostly dependent on human decisions. Crops uptake a significant amount of Carbon dioxide (CO2) during their short growing seasons. Reliability of the available models to predict the carbon exchanges by croplands is important in estimating the cropland contribution towards overall land-atmosphere carbon exchange and global carbon cycle. The energy exchanges from croplands include both sensible and latent heat fluxes. This study focuses on analyzing the performance of 19 land surface models across five agricultural sites under the site-level interim synthesis of North American Carbon Program (NACP). Model simulations were performed using a common simulation protocol and input data, including gap-filled meteorological data corresponding to each site. The net carbon fluxes (i.e. net ecosystem exchange; NEE) and energy fluxes (sensible and latent heat) predicted by 12 models with sub-hourly/hourly temporal resolution and 7 models with daily temporal resolution were compared against the site-specific gap-filled observed flux tower data. Comparisons were made by site and crop type (i.e. maize, soybean, and wheat), mainly focusing on the coefficient of determination, correlation, root mean square error, and standard deviation. Analyses also compared the diurnal, seasonal, and inter-annual variability of the modeled fluxes against the observed data and the mean modeled data.

  17. Integrated Assessment Modeling of Carbon Sequestration and Land Use Emissions Using Detailed Model Results and Observations

    SciTech Connect

    Dr. Atul Jain

    2005-04-17

    This report outlines the progress on the development and application of Integrated Assessment Modeling of Carbon Sequestrations and Land Use Emissions supported by the DOE Office of Biological and Environmental Research (OBER), U.S. Department of Energy, Grant No. DOE-DE-FG02-01ER63069. The overall objective of this collaborative project between the University of Illinois at Urbana-Champaign (UIUC), Oak Ridge National Laboratory (ORNL), Lawrence Livermore National Laboratory (LLNL), and Pacific Northwest National Laboratory (PNNL) was to unite the latest advances in carbon cycle research with scientifically based models and policy-related integrated assessment tools that incorporate computationally efficient representations of the latest knowledge concerning science and emission trajectories, and their policy implications. As part of this research we accomplished the following tasks that we originally proposed: (1) In coordination with LLNL and ORNL, we enhanced the Integrated Science Assessment Model's (ISAM) parametric representation of the ocean and terrestrial carbon cycles that better represent spatial and seasonal variations, which are important to study the mechanisms that influence carbon sequestration in the ocean and terrestrial ecosystems; (2) Using the MiniCAM modeling capability, we revised the SRES (IPCC Special Report on Emission Scenarios; IPCC, 2000) land use emission scenarios; and (3) On the application front, the enhanced version of ISAM modeling capability is applied to understand how short- and long-term natural carbon fluxes, carbon sequestration, and human emissions contribute to the net global emissions (concentrations) trajectories required to reach various concentration (emission) targets. Under this grant, 21 research publications were produced. In addition, this grant supported a number of graduate and undergraduate students whose fundamental research was to learn a disciplinary field in climate change (e.g., ecological dynamics and

  18. Evaluation of Black Carbon Estimations in Global Aerosol Models

    SciTech Connect

    Koch, D.; Schulz, M.; Kinne, Stefan; McNaughton, C. S.; Spackman, J. R.; Balkanski, Y.; Bauer, S.; Berntsen, T.; Bond, Tami C.; Boucher, Olivier; Chin, M.; Clarke, A. D.; De Luca, N.; Dentener, F.; Diehl, T.; Dubovik, O.; Easter, Richard C.; Fahey, D. W.; Feichter, J.; Fillmore, D.; Freitag, S.; Ghan, Steven J.; Ginoux, P.; Gong, S.; Horowitz, L.; Iversen, T.; Kirkevag, A.; Klimont, Z.; Kondo, Yutaka; Krol, M.; Liu, Xiaohong; Miller, R.; Montanaro, V.; Moteki, N.; Myhre, G.; Penner, J.; Perlwitz, Ja; Pitari, G.; Reddy, S.; Sahu, L.; Sakamoto, H.; Schuster, G.; Schwarz, J. P.; Seland, O.; Stier, P.; Takegawa, Nobuyuki; Takemura, T.; Textor, C.; van Aardenne, John; Zhao, Y.

    2009-11-27

    We evaluate black carbon (BC) model predictions from the AeroCom model intercomparison project by considering the diversity among year 2000 model simulations and comparing model predictions with available measurements. These model-measurement intercomparisons include BC surface and aircraft concentrations, aerosol absorption optical depth (AAOD) from AERONET and OMI retrievals and BC column estimations based on AERONET. In regions other than Asia, most models are biased high compared to surface concentration measurements. However compared with (column) AAOD or BC burden retreivals, the models are generally biased low. The average ratio of model to retrieved AAOD is less than 0.7 in South American and 0.6 in African biomass burning regions; both of these regions lack surface concentration measurements. In Asia the average model to observed ratio is 0.6 for AAOD and 0.5 for BC surface concentrations. Compared with aircraft measurements over the Americas at latitudes between 0 and 50N, the average model is a factor of 10 larger than observed, and most models exceed the measured BC standard deviation in the mid to upper troposphere. At higher latitudes the average model to aircraft BC is 0.6 and underestimate the observed BC loading in the lower and middle troposphere associated with springtime Arctic haze. Low model bias for AAOD but overestimation of surface and upper atmospheric BC concentrations at lower latitudes suggests that most models are underestimating BC absorption and should improve estimates for refractive index, particle size, and optical effects of BC coating. Retrieval uncertainties and/or differences with model diagnostic treatment may also contribute to the model-measurement disparity. Largest AeroCom model diversity occurred in northern Eurasia and the remote Arctic, regions influenced by anthropogenic sources. Changing emissions, aging, removal, or optical properties within a single model generated a smaller change in model predictions than the

  19. Webinar Presentation: Particle-Resolved Simulations for Quantifying Black Carbon Climate Impact and Model Uncertainty

    EPA Pesticide Factsheets

    This presentation, Particle-Resolved Simulations for Quantifying Black Carbon Climate Impact and Model Uncertainty, was given at the STAR Black Carbon 2016 Webinar Series: Changing Chemistry over Time held on Oct. 31, 2016.

  20. Modelling the side impact of carbon fibre tubes

    NASA Astrophysics Data System (ADS)

    Sudharsan, Ms R.; Rolfe, B. F., Dr; Hodgson, P. D., Prof

    2010-06-01

    Metallic tubes have been extensively studied for their crashworthiness as they closely resemble automotive crash rails. Recently, the demand to improve fuel economy and reduce vehicle emissions has led automobile manufacturers to explore the crash properties of light weight materials such as fibre reinforced polymer composites, metallic foams and sandwich structures in order to use them as crash barriers. This paper discusses the response of carbon fibre reinforced polymer (CFRP) tubes and their failure mechanisms during side impact. The energy absorption of CFRP tubes is compared to similar Aluminium tubes. The response of the CFRP tubes during impact was modelled using Abaqus finite element software with a composite fabric material model. The material inputs were given based on standard tension and compression test results and the in-plane damage was defined based on cyclic shear tests. The failure modes and energy absorption observed during the tests were well represented by the finite element model.

  1. Carbon Back Sputter Modeling for Hall Thruster Testing

    NASA Technical Reports Server (NTRS)

    Gilland, James H.; Williams, George J.; Burt, Jonathan M.; Yim, John T.

    2016-01-01

    In support of wear testing for the Hall Effect Rocket with Magnetic Shielding (HERMeS) program, the back sputter from a Hall effect thruster plume has been modeled for the NASA Glenn Research Centers Vacuum Facility 5. The predicted wear at a near-worst case condition of 600 V, 12.5 kW was found to be on the order of 3 4 mkhour in a fully carbon-lined chamber. A more detailed numerical monte carlo code was also modified to estimate back sputter for a detailed facility and pumping configuration. This code demonstrated similar back sputter rate distributions, but is not yet accurately modeling the magnitudes. The modeling has been benchmarked to recent HERMeS wear testing, using multiple microbalance measurements. These recent measurements have yielded values, on the order of 1.5- 2 microns/khour.

  2. Modeling the carbon monoxide dissipation in Timisoara, Romania.

    PubMed

    Barbulescu, Alina; Barbes, Lucica

    2017-02-26

    Modeling the evolution of pollutants' concentration is important for predicting their impact on the human health and implementing measures for a sustainable development and environmental protection. Since the carbon dioxide (CO) is one of the main pollutants that affect the urban environment, the present study aimed at building a model for the evolution of the mean daily and monthly concentration in Timisoara, Romania. We found a non-linear direct dependence of CO concentration on the temperature and humidity and an inverse proportional relationship with the wind speed. The models have been linearized and validated by statistical tests. The extreme values distributions have also been detected, and comparisons of the data with the admissible values are provided.

  3. Modelling carbon isotope composition of dissolved inorganic carbon and methane in marine porewaters

    NASA Astrophysics Data System (ADS)

    Meister, Patrick; Liu, Bo; Khalili, Arzhang; Barker Jørgensen, Bo

    2014-05-01

    Carbon isotope compositions of dissolved inorganic carbon (DIC) and methane (CH4) in marine sedimentary porewaters at near surface temperatures show extremely large variation in apparent fractionation covering a range from -100 ‰ to +30 ‰. This fractionation is essentially the result of microbial activity, but the mechanisms and factors controlling this fractionation are still incompletely understood. This study provides a reaction transport model approach to evaluate the effects of the most important processes and factors on carbon isotope distribution with the goal to better understand carbon isotope distribution in modern sediment porewaters and in the geological record. Our model results show that kinetic fractionation during methanogenesis, both through the acetoclastic and autotrophic pathways, results in a nearly symmetrical distribution of δ13C values in DIC and CH4 with respect to the isotope value of buried organic matter. An increased fractionation factor during methanogenesis leads to a larger difference between δ13CDIC and δ13CCH4. Near the sulphate methane transition zone, DIC is more depleted in 13C due to diffusive mixing with DIC produced by anaerobic oxidation of methane (AOM) and organoclastic sulphate reduction. The model also shows that an upward decrease in δ13CCH4 near the SMT can only be caused by equilibrium fractionation during AOM including a backward "leakage" of carbon from DIC to CH4 through the enzymatic pathway. However, this effect of reversibility has no influence on the DIC pool as long as methane is completely consumed at the SMT. Only a release of methane at the sediment-water interface, due to a fraction of the methane escaping re-oxidation, results in a small shift towards more positive δ13CDIC values. Methane escape at the SMT is possible if either the methane flux is too high to be entirely oxidized by AOM, or if bubbles of methane gas by-pass the sulphate reduction zone and escape episodically into the water column

  4. Age-dependent forest carbon sink: Estimation via inverse modeling

    NASA Astrophysics Data System (ADS)

    Zhou, Tao; Shi, Peijun; Jia, Gensuo; Dai, Yongjiu; Zhao, Xiang; Shangguan, Wei; Du, Ling; Wu, Hao; Luo, Yiqi

    2015-12-01

    Forests have been recognized to sequester a substantial amount of carbon (C) from the atmosphere. However, considerable uncertainty remains regarding the magnitude and time course of the C sink. Revealing the intrinsic relationship between forest age and C sink is crucial for reducing uncertainties in prediction of forest C sink potential. In this study, we developed a stepwise data assimilation approach to combine a process-based Terrestrial ECOsystem Regional model, observations from multiple sources, and stochastic sampling to inversely estimate carbon cycle parameters including carbon sink at different forest ages for evergreen needle-leaved forests in China. The new approach is effective to estimate age-dependent parameter of maximal light-use efficiency (R2 = 0.99) and, accordingly, can quantify a relationship between forest age and the vegetation and soil C sinks. The estimated ecosystem C sink increases rapidly with age, peaks at 0.451 kg C m-2 yr-1 at age 22 years (ranging from 0.421 to 0.465 kg C m-2 yr-1), and gradually decreases thereafter. The dynamic patterns of C sinks in vegetation and soil are significantly different. C sink in vegetation first increases rapidly with age and then decreases. C sink in soil, however, increases continuously with age; it acts as a C source when the age is less than 20 years, after which it acts as a sink. For the evergreen needle-leaved forest, the highest C sink efficiency (i.e., C sink per unit net primary productivity) is approximately 60%, with age between 11 and 43 years. Overall, the inverse estimation of carbon cycle parameters can make reasonable estimates of age-dependent C sequestration in forests.

  5. Environmental control of carbon allocation matters for modelling forest growth.

    PubMed

    Guillemot, Joannès; Francois, Christophe; Hmimina, Gabriel; Dufrêne, Eric; Martin-StPaul, Nicolas K; Soudani, Kamel; Marie, Guillaume; Ourcival, Jean-Marc; Delpierre, Nicolas

    2017-04-01

    We aimed to evaluate the importance of modulations of within-tree carbon (C) allocation by water and low-temperature stress for the prediction of annual forest growth with a process-based model. A new C allocation scheme was implemented in the CASTANEA model that accounts for lagged and direct environmental controls of C allocation. Different approaches (static vs dynamic) to modelling C allocation were then compared in a model-data fusion procedure, using satellite-derived leaf production estimates and biometric measurements at c. 10(4) sites. The modelling of the environmental control of C allocation significantly improved the ability of CASTANEA to predict the spatial and year-to-year variability of aboveground forest growth along regional gradients. A significant effect of the previous year's water stress on the C allocation to leaves and wood was reported. Our results also are consistent with a prominent role of the environmental modulation of sink demand in the wood growth of the studied species. Data available at large scales can inform forest models about the processes driving annual and seasonal C allocation. Our results call for a greater consideration of C allocation drivers, especially sink-demand fluctuations, for the simulations of current and future forest productivity with process-based models.

  6. Equivalent-Continuum Modeling With Application to Carbon Nanotubes

    NASA Technical Reports Server (NTRS)

    Odegard, Gregory M.; Gates, Thomas S.; Nicholson, Lee M.; Wise, Kristopher E.

    2002-01-01

    A method has been proposed for developing structure-property relationships of nano-structured materials. This method serves as a link between computational chemistry and solid mechanics by substituting discrete molecular structures with equivalent-continuum models. It has been shown that this substitution may be accomplished by equating the vibrational potential energy of a nano-structured material with the strain energy of representative truss and continuum models. As important examples with direct application to the development and characterization of single-walled carbon nanotubes and the design of nanotube-based devices, the modeling technique has been applied to determine the effective-continuum geometry and bending rigidity of a graphene sheet. A representative volume element of the chemical structure of graphene has been substituted with equivalent-truss and equivalent continuum models. As a result, an effective thickness of the continuum model has been determined. This effective thickness has been shown to be significantly larger than the interatomic spacing of graphite. The effective thickness has been shown to be significantly larger than the inter-planar spacing of graphite. The effective bending rigidity of the equivalent-continuum model of a graphene sheet was determined by equating the vibrational potential energy of the molecular model of a graphene sheet subjected to cylindrical bending with the strain energy of an equivalent continuum plate subjected to cylindrical bending.

  7. Modeling the grazing effect on dry grassland carbon cycling with modified Biome-BGC grazing model

    NASA Astrophysics Data System (ADS)

    Luo, Geping; Han, Qifei; Li, Chaofan; Yang, Liao

    2014-05-01

    Identifying the factors that determine the carbon source/sink strength of ecosystems is important for reducing uncertainty in the global carbon cycle. Arid grassland ecosystems are a widely distributed biome type in Xinjiang, Northwest China, covering approximately one-fourth the country's land surface. These grasslands are the habitat for many endemic and rare plant and animal species and are also used as pastoral land for livestock. Using the modified Biome-BGC grazing model, we modeled carbon dynamics in Xinjiang for grasslands that varied in grazing intensity. In general, this regional simulation estimated that the grassland ecosystems in Xinjiang acted as a net carbon source, with a value of 0.38 Pg C over the period 1979-2007. There were significant effects of grazing on carbon dynamics. An over-compensatory effect in net primary productivity (NPP) and vegetation carbon (C) stock was observed when grazing intensity was lower than 0.40 head/ha. Grazing resulted in a net carbon source of 23.45 g C m-2 yr-1, which equaled 0.37 Pg in Xinjiang in the last 29 years. In general, grazing decreased vegetation C stock, while an increasing trend was observed with low grazing intensity. The soil C increased significantly (17%) with long-term grazing, while the soil C stock exhibited a steady trend without grazing. These findings have implications for grassland ecosystem management as it relates to carbon sequestration and climate change mitigation, e.g., removal of grazing should be considered in strategies that aim to increase terrestrial carbon sequestrations at local and regional scales. One of the greatest limitations in quantifying the effects of herbivores on carbon cycling is identifying the grazing systems and intensities within a given region. We hope our study emphasizes the need for large-scale assessments of how grazing impacts carbon cycling. Most terrestrial ecosystems in Xinjiang have been affected by disturbances to a greater or lesser extent in the past

  8. Functionalization of carbon nanotubes: Characterization, modeling and composite applications

    NASA Astrophysics Data System (ADS)

    Wang, Shiren

    Carbon nanotubes have demonstrated exceptional mechanical, thermal and electrical properties, and are regarded as one of the most promising reinforcement materials for the next generation of high performance structural and multifunctional composites. However, to date, most application attempts have been hindered by several technical roadblocks, such as poor dispersion and weak interfacial bonding. In this dissertation, several innovative functionalization methods were proposed, studied to overcome these technical issues in order to realize the full potential of nanotubes as reinforcement. These functionalization methods included precision sectioning of nanotubes using an ultra-microtome, electron-beam irradiation, amino and epoxide group grafting. The characterization results of atomic force microscope, transmission electronic microscope and Raman suggested that aligned carbon nanotubes can be precisely sectioned with controlled length and minimum sidewall damage. This study also designed and demonstrated new covalent functionalization approaches through unique epoxy-grafting and one-step amino-grafting, which have potential of scale-up for composite applications. In addition, the dissertation also successfully tailored the structure and properties of the thin nanotube film through electron beam irradiation. Significant improvement of both mechanical and electrical conducting properties of the irradiated nanotube films or buckypapers was achieved. All these methods demonstrated effectiveness in improving dispersion and interfacial bonding in the epoxy resin, resulting in considerable improvements in composite mechanical properties. Modeling of functionalization methods also provided further understanding and offered the reasonable explanations of SWNTs length distribution as well as carbon nanostructure transformation upon electron-beam irradiation. Both experimental and modeling results provide important foundations for the further comprehensively investigation of

  9. CarboCAT: A cellular automata model of heterogeneous carbonate strata

    NASA Astrophysics Data System (ADS)

    Burgess, Peter M.

    2013-04-01

    CarboCAT is a new numerical model of carbonate deposystems that uses a cellular automata to calculate lithofacies spatial distributions and hence to calculate the accumulation of heterogeneous carbonate strata in three dimensions. CarboCAT includes various geological processes, including tectonic subsidence, eustatic sea-level oscillations, water depth-dependent carbonate production rates in multiple carbonate factories, lateral migration of carbonate lithofacies bodies, and a simple representation of sediment transport. Results from the model show stratigraphically interesting phenomena such as heterogeneous strata with complex stacking patterns, laterally discontinuous subaerial exposure surfaces, nonexponential lithofacies thickness distributions, and sensitive dependence on initial conditions whereby small changes in the model initial conditions have a large effect on the final model outcome. More work is required to fully assess CarboCAT, but these initial results suggest that a cellular automata approach to modeling carbonate strata is likely to be a useful tool for investigating the nature and origins of heterogeneity in carbonate strata.

  10. DOUBLE SHELL TANK (DST) HYDROXIDE DEPLETION MODEL FOR CARBON DIOXIDE ABSORPTION

    SciTech Connect

    OGDEN DM; KIRCH NW

    2007-10-31

    This document generates a supernatant hydroxide ion depletion model based on mechanistic principles. The carbon dioxide absorption mechanistic model is developed in this report. The report also benchmarks the model against historical tank supernatant hydroxide data and vapor space carbon dioxide data. A comparison of the newly generated mechanistic model with previously applied empirical hydroxide depletion equations is also performed.

  11. Spin-Up and Tuning of the Global Carbon Cycle Model Inside the GISS ModelE2 GCM

    NASA Technical Reports Server (NTRS)

    Aleinov, Igor; Kiang, Nancy Y.; Romanou, Anastasia

    2015-01-01

    Planetary carbon cycle involves multiple phenomena, acting at variety of temporal and spacial scales. The typical times range from minutes for leaf stomata physiology to centuries for passive soil carbon pools and deep ocean layers. So, finding a satisfactory equilibrium state becomes a challenging and computationally expensive task. Here we present the spin-up processes for different configurations of the GISS Carbon Cycle model from the model forced with MODIS observed Leaf Area Index (LAI) and prescribed ocean to the prognostic LAI and to the model fully coupled to the dynamic ocean and ocean biology. We investigate the time it takes the model to reach the equilibrium and discuss the ways to speed up this process. NASA Goddard Institute for Space Studies General Circulation Model (GISS ModelE2) is currently equipped with all major algorithms necessary for the simulation of the Global Carbon Cycle. The terrestrial part is presented by Ent Terrestrial Biosphere Model (Ent TBM), which includes leaf biophysics, prognostic phenology and soil biogeochemistry module (based on Carnegie-Ames-Stanford model). The ocean part is based on the NASA Ocean Biogeochemistry Model (NOBM). The transport of atmospheric CO2 is performed by the atmospheric part of ModelE2, which employs quadratic upstream algorithm for this purpose.

  12. Investigating global brown carbon from both measurements and models

    NASA Astrophysics Data System (ADS)

    Wang, X.; Heald, C. L.

    2015-12-01

    Brown carbon (BrC) is the component of organic aerosols (OA) which strongly absorbs solar radiation in the near-UV range of the spectrum. BrC properties and the resulting radiative effects are highly uncertain, limiting our ability to estimate near-term and regional climate forcing. Since both the source and optical properties of BrC are not well understood, it is challenging to develop a reliable model frameworks for BrC. On the other hand, field and laboratory measurements of BrC are rare and provide limited constraints. BrC absorption exhibits strong spectral dependence, which differs from black carbon (BC), the other important fine aerosol absorber. Based on this property, we develop an innovative approach to derive BrC absorption from multi-wavelength absorption measurements. By analyzing the Aerosol Absorption Optical Depth (AAOD) data from global AERONET network, we find that the optical properties of BrC are connected to the BC/OA ratio, as suggested by recent work. In view of this finding, we develop and discuss a series of different methods to simulate BrC absorption in the GEOS-Chem global model and estimate an associated range for global BrC burden and direct radiative forcing (DRF).

  13. Deployment models for commercialized carbon capture and storage.

    PubMed

    Esposito, Richard A; Monroe, Larry S; Friedman, Julio S

    2011-01-01

    Even before technology matures and the regulatory framework for carbon capture and storage (CCS) has been developed, electrical utilities will need to consider the logistics of how widespread commercial-scale operations will be deployed. The framework of CCS will require utilities to adopt business models that ensure both safe and affordable CCS operations while maintaining reliable power generation. Physical models include an infrastructure with centralized CO(2) pipelines that focus geologic sequestration in pooled regional storage sites or supply CO(2) for beneficial use in enhanced oil recovery (EOR) and a dispersed plant model with sequestration operations which take place in close proximity to CO(2) capture. Several prototypical business models, including hybrids of these two poles, will be in play including a self-build option, a joint venture, and a pay at the gate model. In the self-build model operations are vertically integrated and utility owned and operated by an internal staff of engineers and geologists. A joint venture model stresses a partnership between the host site utility/owner's engineer and external operators and consultants. The pay to take model is turn-key external contracting to a third party owner/operator with cash positive fees paid out for sequestration and cash positive income for CO(2)-EOR. The selection of a business model for CCS will be based in part on the desire of utilities to be vertically integrated, source-sink economics, and demand for CO(2)-EOR. Another element in this decision will be how engaged a utility decides to be and the experience the utility has had with precommercial R&D activities. Through R&D, utilities would likely have already addressed or at least been exposed to the many technical, regulatory, and risk management issues related to successful CCS. This paper provides the framework for identifying the different physical and related prototypical business models that may play a role for electric utilities in

  14. Vertically-integrated Approaches for Carbon Sequestration Modeling

    NASA Astrophysics Data System (ADS)

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

    2015-12-01

    Carbon capture and sequestration (CCS) is being considered as an approach to mitigate anthropogenic CO2 emissions from large stationary sources such as coal fired power plants and natural gas processing plants. Computer modeling is an essential tool for site design and operational planning as it allows prediction of the pressure response as well as the migration of both CO2 and brine in the subsurface. Many processes, such as buoyancy, hysteresis, geomechanics and geochemistry, can have important impacts on the system. While all of the processes can be taken into account simultaneously, the resulting models are computationally very expensive and require large numbers of parameters which are often uncertain or unknown. In many cases of practical interest, the computational and data requirements can be reduced by choosing a smaller domain and/or by neglecting or simplifying certain processes. This leads to a series of models with different complexity, ranging from coupled multi-physics, multi-phase three-dimensional models to semi-analytical single-phase models. Under certain conditions the three-dimensional equations can be integrated in the vertical direction, leading to a suite of two-dimensional multi-phase models, termed vertically-integrated models. These models are either solved numerically or simplified further (e.g., assumption of vertical equilibrium) to allow analytical or semi-analytical solutions. This presentation focuses on how different vertically-integrated models have been applied to the simulation of CO2 and brine migration during CCS projects. Several example sites, such as the Illinois Basin and the Wabamun Lake region of the Alberta Basin, are discussed to show how vertically-integrated models can be used to gain understanding of CCS operations.

  15. Responses of two nonlinear microbial models to warming and increased carbon input

    SciTech Connect

    Wang, Y. P.; Jiang, J.; Chen-Charpentier, Benito; Agusto, Fola B.; Hastings, Alan; Hoffman, Forrest M.; Rasmussen, Martin; Smith, Matthew J.; Todd-Brown, Katherine E.; Wang, Y.; Xu, X.; Luo, Y. Q.

    2016-02-18

    A number of nonlinear microbial models of soil carbon decomposition have been developed. Some of them have been applied globally but have yet to be shown to realistically represent soil carbon dynamics in the field. A thorough analysis of their key differences is needed to inform future model developments. In this paper, we compare two nonlinear microbial models of soil carbon decomposition: one based on reverse Michaelis–Menten kinetics (model A) and the other on regular Michaelis–Menten kinetics (model B). Using analytic approximations and numerical solutions, we find that the oscillatory responses of carbon pools to a small perturbation in their initial pool sizes dampen faster in model A than in model B. Soil warming always decreases carbon storage in model A, but in model B it predominantly decreases carbon storage in cool regions and increases carbon storage in warm regions. For both models, the CO2 efflux from soil carbon decomposition reaches a maximum value some time after increased carbon input (as in priming experiments). This maximum CO2 efflux (Fmax) decreases with an increase in soil temperature in both models. However, the sensitivity of Fmax to the increased amount of carbon input increases with soil temperature in model A but decreases monotonically with an increase in soil temperature in model B. These differences in the responses to soil warming and carbon input between the two nonlinear models can be used to discern which model is more realistic when compared to results from field or laboratory experiments. Lastly, these insights will contribute to an improved understanding of the significance of soil microbial processes in soil carbon responses to future climate change.

  16. Responses of two nonlinear microbial models to warming and increased carbon input

    NASA Astrophysics Data System (ADS)

    Wang, Y. P.; Jiang, J.; Chen-Charpentier, B.; Agusto, F. B.; Hastings, A.; Hoffman, F.; Rasmussen, M.; Smith, M. J.; Todd-Brown, K.; Wang, Y.; Xu, X.; Luo, Y. Q.

    2016-02-01

    A number of nonlinear microbial models of soil carbon decomposition have been developed. Some of them have been applied globally but have yet to be shown to realistically represent soil carbon dynamics in the field. A thorough analysis of their key differences is needed to inform future model developments. Here we compare two nonlinear microbial models of soil carbon decomposition: one based on reverse Michaelis-Menten kinetics (model A) and the other on regular Michaelis-Menten kinetics (model B). Using analytic approximations and numerical solutions, we find that the oscillatory responses of carbon pools to a small perturbation in their initial pool sizes dampen faster in model A than in model B. Soil warming always decreases carbon storage in model A, but in model B it predominantly decreases carbon storage in cool regions and increases carbon storage in warm regions. For both models, the CO2 efflux from soil carbon decomposition reaches a maximum value some time after increased carbon input (as in priming experiments). This maximum CO2 efflux (Fmax) decreases with an increase in soil temperature in both models. However, the sensitivity of Fmax to the increased amount of carbon input increases with soil temperature in model A but decreases monotonically with an increase in soil temperature in model B. These differences in the responses to soil warming and carbon input between the two nonlinear models can be used to discern which model is more realistic when compared to results from field or laboratory experiments. These insights will contribute to an improved understanding of the significance of soil microbial processes in soil carbon responses to future climate change.

  17. Responses of two nonlinear microbial models to warming and increased carbon input

    DOE PAGES

    Wang, Y. P.; Jiang, J.; Chen-Charpentier, Benito; ...

    2016-02-18

    A number of nonlinear microbial models of soil carbon decomposition have been developed. Some of them have been applied globally but have yet to be shown to realistically represent soil carbon dynamics in the field. A thorough analysis of their key differences is needed to inform future model developments. In this paper, we compare two nonlinear microbial models of soil carbon decomposition: one based on reverse Michaelis–Menten kinetics (model A) and the other on regular Michaelis–Menten kinetics (model B). Using analytic approximations and numerical solutions, we find that the oscillatory responses of carbon pools to a small perturbation in theirmore » initial pool sizes dampen faster in model A than in model B. Soil warming always decreases carbon storage in model A, but in model B it predominantly decreases carbon storage in cool regions and increases carbon storage in warm regions. For both models, the CO2 efflux from soil carbon decomposition reaches a maximum value some time after increased carbon input (as in priming experiments). This maximum CO2 efflux (Fmax) decreases with an increase in soil temperature in both models. However, the sensitivity of Fmax to the increased amount of carbon input increases with soil temperature in model A but decreases monotonically with an increase in soil temperature in model B. These differences in the responses to soil warming and carbon input between the two nonlinear models can be used to discern which model is more realistic when compared to results from field or laboratory experiments. Lastly, these insights will contribute to an improved understanding of the significance of soil microbial processes in soil carbon responses to future climate change.« less

  18. Carbon dioxide stripping in aquaculture -- part III: model verification

    USGS Publications Warehouse

    Colt, John; Watten, Barnaby; Pfeiffer, Tim

    2012-01-01

    Based on conventional mass transfer models developed for oxygen, the use of the non-linear ASCE method, 2-point method, and one parameter linear-regression method were evaluated for carbon dioxide stripping data. For values of KLaCO2 < approximately 1.5/h, the 2-point or ASCE method are a good fit to experimental data, but the fit breaks down at higher values of KLaCO2. How to correct KLaCO2 for gas phase enrichment remains to be determined. The one-parameter linear regression model was used to vary the C*CO2 over the test, but it did not result in a better fit to the experimental data when compared to the ASCE or fixed C*CO2 assumptions.

  19. Large uncertainty in soil carbon modelling related to carbon input calculation method

    NASA Astrophysics Data System (ADS)

    Keel, Sonja G.; Leifeld, Jens; Taghizadeh-Toosi, Arezoo; Oleson, Jørgen E.

    2016-04-01

    A model-based inventory for carbon (C) sinks and sources in agricultural soils is being established for Switzerland. As part of this project, five frequently used allometric equations that estimate soil C inputs based on measured yields are compared. To evaluate the different methods, we calculate soil C inputs for a long-term field trial in Switzerland. This DOK experiment (bio-Dynamic, bio-Organic, and conventional (German: Konventionell)) compares five different management systems, that are applied to identical crop rotations. Average calculated soil C inputs vary largely between allometric equations and range from 1.6 t C ha-1 yr-1 to 2.6 t C ha-1 yr-1. Among the most important crops in Switzerland, the uncertainty is largest for barley (difference between highest and lowest estimate: 3.0 t C ha-1 yr-1). For the unfertilized control treatment, the estimated soil C inputs vary less between allometric equations than for the treatment that received mineral fertilizer and farmyard manure. Most likely, this is due to the higher yields in the latter treatment, i.e. the difference between methods might be amplified because yields differ more. To evaluate the influence of these allometric equations on soil C dynamics we simulate the DOK trial for the years 1977-2004 using the model C-TOOL (Taghizadeh-Toosi et al. 2014) and the five different soil C input calculation methods. Across all treatments, C-TOOL simulates a decrease in soil C in line with the experimental data. This decline, however, varies between allometric equations (-2.4 t C ha-1 to -6.3 t C ha-1 for the years 1977-2004) and has the same order of magnitude as the difference between treatments. In summary, the method to estimate soil C inputs is identified as a significant source of uncertainty in soil C modelling. Choosing an appropriate allometric equation to derive the input data is thus a critical step when setting up a model-based national soil C inventory. References Taghizadeh-Toosi A et al. (2014) C

  20. Kinetic modelling of molecular hydrogen transport in microporous carbon materials.

    SciTech Connect

    Hankel, M.; Zhang, H.; Nguyen, T. X.; Bhatia, S. K.; Gray, S. K.; Smith, S. C.

    2011-01-01

    The proposal of kinetic molecular sieving of hydrogen isotopes is explored by employing statistical rate theory methods to describe the kinetics of molecular hydrogen transport in model microporous carbon structures. A Lennard-Jones atom-atom interaction potential is utilized for the description of the interactions between H{sub 2}/D{sub 2} and the carbon framework, while the requisite partition functions describing the thermal flux of molecules through the transition state are calculated quantum mechanically in view of the low temperatures involved in the proposed kinetic molecular sieving application. Predicted kinetic isotope effects for initial passage from the gas phase into the first pore mouth are consistent with expectations from previous modeling studies, namely, that at sufficiently low temperatures and for sufficiently narrow pore mouths D{sub 2} transport is dramatically favored over H{sub 2}. However, in contrast to expectations from previous modeling, the absence of any potential barrier along the minimum energy pathway from the gas phase into the first pore mouth yields a negative temperature dependence in the predicted absolute rate coefficients - implying a negative activation energy. In pursuit of the effective activation barrier, we find that the minimum potential in the cavity is significantly higher than in the pore mouth for nanotube-shaped models, throwing into question the common assumption that passage through the pore mouths should be the rate-determining step. Our results suggest a new mechanism that, depending on the size and shape of the cavity, the thermal activation barrier may lie in the cavity rather than at the pore mouth. As a consequence, design strategies for achieving quantum-mediated kinetic molecular sieving of H{sub 2}/D{sub 2} in a microporous membrane will need, at the very least, to take careful account of cavity shape and size in addition to pore-mouth size in order to ensure that the selective step, namely passage

  1. Modelling carbon and nitrogen turnover in variably saturated soils

    NASA Astrophysics Data System (ADS)

    Batlle-Aguilar, J.; Brovelli, A.; Porporato, A.; Barry, D. A.

    2009-04-01

    Natural ecosystems provide services such as ameliorating the impacts of deleterious human activities on both surface and groundwater. For example, several studies have shown that a healthy riparian ecosystem can reduce the nutrient loading of agricultural wastewater, thus protecting the receiving surface water body. As a result, in order to develop better protection strategies and/or restore natural conditions, there is a growing interest in understanding ecosystem functioning, including feedbacks and nonlinearities. Biogeochemical transformations in soils are heavily influenced by microbial decomposition of soil organic matter. Carbon and nutrient cycles are in turn strongly sensitive to environmental conditions, and primarily to soil moisture and temperature. These two physical variables affect the reaction rates of almost all soil biogeochemical transformations, including microbial and fungal activity, nutrient uptake and release from plants, etc. Soil water saturation and temperature are not constants, but vary both in space and time, thus further complicating the picture. In order to interpret field experiments and elucidate the different mechanisms taking place, numerical tools are beneficial. In this work we developed a 3D numerical reactive-transport model as an aid in the investigation the complex physical, chemical and biological interactions occurring in soils. The new code couples the USGS models (MODFLOW 2000-VSF, MT3DMS and PHREEQC) using an operator-splitting algorithm, and is a further development an existing reactive/density-dependent flow model PHWAT. The model was tested using simplified test cases. Following verification, a process-based biogeochemical reaction network describing the turnover of carbon and nitrogen in soils was implemented. Using this tool, we investigated the coupled effect of moisture content and temperature fluctuations on nitrogen and organic matter cycling in the riparian zone, in order to help understand the relative

  2. Spin-up and Tuning of the Global Carbon Cycle Model Inside the GISS ModelE2 GCM

    NASA Astrophysics Data System (ADS)

    Aleinov, I. D.; Kiang, N. Y.; Romanou, A.

    2015-12-01

    Planetary carbon cycle involves multiple phenomena, acting at varietyof temporal and spacial scales. The typical times range from minutesfor leaf stomata physiology to centuries for passive soil carbon poolsand deep ocean layers. So, finding a satisfactory equilibrium statebecomes a challenging and computationally expensive task. Here wepresent the spin-up processes for different configurations of theGISS Carbon Cycle model from the model forced with MODIS observed LeafArea Index (LAI) and prescribed ocean to the prognostic LAI and to themodel fully coupled to the dynamic ocean and ocean biology. Weinvestigate the time it takes the model to reach the equilibrium anddiscuss the ways to speed up this process. NASA Goddard Institute for Space Studies General Circulation Model(GISS ModelE2) is currently equipped with all major algorithms necessary forthe simulation of the Global Carbon Cycle. The terrestrial part ispresented by Ent Terrestrial Biosphere Model (Ent TBM), which includesleaf biophysics, prognostic phenology and soil biogeochemistry module(based on Carnegie-Ames-Stanford model). The ocean part is based onthe NASA Ocean Biogeochemistry Model (NOBM). The transport ofatmospheric CO2 is performed by the atmospheric part of ModelE2, whichemploys quadratic upstream algorithm for this purpose.

  3. Integrated Experimental and Modeling Studies of Mineral Carbonation as a Mechanism for Permanent Carbon Sequestration in Mafic/Ultramafic Rocks

    SciTech Connect

    Wang, Zhengrong; Qiu, Lin; Zhang, Shuang; Bolton, Edward; Bercovici, David; Ague, Jay; Karato, Shun-Ichiro; Oristaglio, Michael; Zhu, Wen-Iu; Lisabeth, Harry; Johnson, Kevin

    2014-09-30

    A program of laboratory experiments, modeling and fieldwork was carried out at Yale University, University of Maryland, and University of Hawai‘i, under a DOE Award (DE-FE0004375) to study mineral carbonation as a practical method of geologic carbon sequestration. Mineral carbonation, also called carbon mineralization, is the conversion of (fluid) carbon dioxide into (solid) carbonate minerals in rocks, by way of naturally occurring chemical reactions. Mafic and ultramafic rocks, such as volcanic basalt, are natural candidates for carbonation, because the magnesium and iron silicate minerals in these rocks react with brines of dissolved carbon dioxide to form carbonate minerals. By trapping carbon dioxide (CO2) underground as a constituent of solid rock, carbonation of natural basalt formations would be a secure method of sequestering CO2 captured at power plants in efforts to mitigate climate change. Geochemical laboratory experiments at Yale, carried out in a batch reactor at 200°C and 150 bar (15 MPa), studied carbonation of the olivine mineral forsterite (Mg2SiO4) reacting with CO2 brines in the form of sodium bicarbonate (NaHCO3) solutions. The main carbonation product in these reactions is the carbonate mineral magnesite (MgCO3). A series of 32 runs varied the reaction time, the reactive surface area of olivine grains and powders, the concentration of the reacting fluid, and the starting ratio of fluid to olivine mass. These experiments were the first to study the rate of olivine carbonation under passive conditions approaching equilibrium. The results show that, in a simple batch reaction, olivine carbonation is fastest during the first 24 hours and then slows significantly and even reverses. A natural measure of the extent of carbonation is a quantity called the carbonation fraction, which compares the amount of carbon removed from solution, during a run, to the maximum amount

  4. Addressing sources of uncertainty in a global terrestrial carbon model

    NASA Astrophysics Data System (ADS)

    Exbrayat, J.; Pitman, A. J.; Zhang, Q.; Abramowitz, G.; Wang, Y.

    2013-12-01

    Several sources of uncertainty exist in the parameterization of the land carbon cycle in current Earth System Models (ESMs). For example, recently implemented interactions between the carbon (C), nitrogen (N) and phosphorus (P) cycles lead to diverse changes in land-atmosphere C fluxes simulated by different models. Further, although soil organic matter decomposition is commonly parameterized as a first-order decay process, the formulation of the microbial response to changes in soil moisture and soil temperature varies tremendously between models. Here, we examine the sensitivity of historical land-atmosphere C fluxes simulated by an ESM to these two major sources of uncertainty. We implement three soil moisture (SMRF) and three soil temperature (STRF) respiration functions in the CABLE-CASA-CNP land biogeochemical component of the coarse resolution CSIRO Mk3L climate model. Simulations are undertaken using three degrees of biogeochemical nutrient limitation: C-only, C and N, and C and N and P. We first bring all 27 possible combinations of a SMRF with a STRF and a biogeochemical mode to a steady-state in their biogeochemical pools. Then, transient historical (1850-2005) simulations are driven by prescribed atmospheric CO2 concentrations used in the fifth phase of the Coupled Model Intercomparison Project (CMIP5). Similarly to some previously published results, representing N and P limitation on primary production reduces the global land carbon sink while some regions become net C sources over the historical period (1850-2005). However, the uncertainty due to the SMRFs and STRFs does not decrease relative to the inter-annual variability in net uptake when N and P limitations are added. Differences in the SMRFs and STRFs and their effect on the soil C balance can also change the sign of some regional sinks. We show that this response is mostly driven by the pool size achieved at the end of the spin-up procedure. Further, there exists a six-fold range in the level

  5. Modelling and mapping the topsoil organic carbon content for Tanzania

    NASA Astrophysics Data System (ADS)

    Kempen, Bas; Kaaya, Abel; Ngonyani Mhaiki, Consolatha; Kiluvia, Shani; Ruiperez-Gonzalez, Maria; Batjes, Niels; Dalsgaard, Soren

    2014-05-01

    Soil organic carbon (SOC), held in soil organic matter, is a key indicator of soil health and plays an important role in the global carbon cycle. The soil can act as a net source or sink of carbon depending on land use and management. Deforestation and forest degradation lead to the release of vast amounts of carbon from the soil in the form of greenhouse gasses, especially in tropical countries. Tanzania has a high deforestation rate: it is estimated that the country loses 1.1% of its total forested area annually. During 2010-2013 Tanzania has been a pilot country under the UN-REDD programme. This programme has supported Tanzania in its initial efforts towards reducing greenhouse gas emission from forest degradation and deforestation and towards preserving soil carbon stocks. Formulation and implementation of the national REDD strategy requires detailed information on the five carbon pools among these the SOC pool. The spatial distribution of SOC contents and stocks was not available for Tanzania. The initial aim of this research, was therefore to develop high-resolution maps of the SOC content for the country. The mapping exercise was carried out in a collaborative effort with four Tanzanian institutes and data from the Africa Soil Information Service initiative (AfSIS). The mapping exercise was provided with over 3200 field observations on SOC from four sources; this is the most comprehensive soil dataset collected in Tanzania so far. The main source of soil samples was the National Forest Monitoring and Assessment (NAFORMA). The carbon maps were generated by means of digital soil mapping using regression-kriging. Maps at 250 m spatial resolution were developed for four depth layers: 0-10 cm, 10-20 cm, 20-30 cm, and 0-30 cm. A total of 37 environmental GIS data layers were prepared for use as covariates in the regression model. These included vegetation indices, terrain parameters, surface temperature, spectral reflectances, a land cover map and a small

  6. The mathematical model for synthesis process management of the carbon nanostructures

    NASA Astrophysics Data System (ADS)

    Chistyakova, T. B.; Petrov, D. N.

    2017-01-01

    In this article, key difficulties of management process for carbon nanostructure synthesis are described. Tasks of optimum control of the carbon nanostructure synthesis process and management in case of emergency situations are formulated. The mathematical model of carbon nanostructure synthesis is offered. The equations for calculation of quantitative, qualitative indexes, indicators of safety and operability of engineering procedure are provided. The necessity of mathematical model use for carbon nanostructure synthesis is caused by improvement of the quality, the quantity, a decrease in the cost value of carbon nanostructures and an increase in safety of the engineering procedure of their obtaining. Testing and approbation of the mathematical model for carbon nanostructure synthesis are executed on a fullerene industrial production line. Suitability of the mathematical model of carbon nanostructure synthesis for production control in the mode of optimum control and management in case of emergency situations is confirmed. The obtained solution is recommended for implementation on the enterprises of a similar purpose.

  7. Carbon-nitrogen interactions regulate climate-carbon cycle feedbacks: results from an atmosphere-ocean general circulation model

    SciTech Connect

    Thornton, Peter E; Doney, Scott C.; Lindsay, Keith; Moore, Jefferson Keith; Mahowald, Natalie; Randerson, James T; Fung, Inez; Lamarque, Jean-Francois H; Feddema, Johan J.

    2009-01-01

    Inclusion of fundamental ecological interactions between carbon and nitrogen cycles in the land component of an atmosphere-ocean general circulation model (AOGCM) leads to decreased carbon uptake associated with CO{sub 2} fertilization, and increased carbon uptake associated with warming of the climate system. The balance of these two opposing effects is to reduce the fraction of anthropogenic CO{sub 2} predicted to be sequestered in land ecosystems. The primary mechanism responsible for increased land carbon storage under radiatively forced climate change is shown to be fertilization of plant growth by increased mineralization of nitrogen directly associated with increased decomposition of soil organic matter under a warming climate, which in this particular model results in a negative gain for the climate-carbon feedback. Estimates for the land and ocean sink fractions of recent anthropogenic emissions are individually within the range of observational estimates, but the combined land plus ocean sink fractions produce an airborne fraction which is too high compared to observations. This bias is likely due in part to an underestimation of the ocean sink fraction. Our results show a significant growth in the airborne fraction of anthropogenic CO{sub 2} emissions over the coming century, attributable in part to a steady decline in the ocean sink fraction. Comparison to experimental studies on the fate of radio-labeled nitrogen tracers in temperate forests indicates that the model representation of competition between plants and microbes for new mineral nitrogen resources is reasonable. Our results suggest a weaker dependence of net land carbon flux on soil moisture changes in tropical regions, and a stronger positive growth response to warming in those regions, than predicted by a similar AOGCM implemented without land carbon-nitrogen interactions. We expect that the between-model uncertainty in predictions of future atmospheric CO{sub 2} concentration and

  8. FLAMES IN TYPE Ia SUPERNOVA: DEFLAGRATION-DETONATION TRANSITION IN THE OXYGEN-BURNING FLAME

    SciTech Connect

    Woosley, S. E.; Kerstein, A. R.; Aspden, A. J. E-mail: arkerst@sandia.gov

    2011-06-10

    The flame in a Type Ia supernova is a conglomerate structure that, depending on density, may involve separate regions of carbon, oxygen, and silicon burning, all propagating in a self-similar, subsonic front. The separation between these three burning regions increases as the density declines until eventually, below about 2 x 10{sup 7} g cm{sup -3}, only carbon burning remains active, the other two burning phases having 'frozen out' on stellar scales. Between 2 and 3 x 10{sup 7} g cm{sup -3}, however, there remains an energetic oxygen-burning region that trails the carbon burning by an amount that is sensitive to the turbulence intensity. As the carbon flame makes a transition to the distributed regime (Karlovitz number {approx}> 10), the characteristic separation between the carbon- and oxygen-burning regions increases dramatically, from a fraction of a meter to many kilometers. The oxygen-rich mixture between the two flames is created at a nearly constant temperature, and turbulence helps to maintain islands of well-mixed isothermal fuel as the temperature increases. The delayed burning of these regions can be supersonic and could initiate a detonation.

  9. Are soil carbon models transferable across distinct regions or scales in Florida?

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Some Florida soils have great capacity to accumulate carbon due to unique geographical and topographical conditions (high net primary productivity, precipitation, high water table, and flat topography). Soil carbon models have been used to quantify the carbon pools usually at a specific scale or in ...

  10. Modeling the Impact of Carbon Dioxide Leakage into an Unconfined, Oxidizing Carbonate Aquifer

    SciTech Connect

    Bacon, Diana H.; Qafoku, Nikolla; Dai, Zhenxue; Keating, Elizabeth; Brown, Christopher F.

    2016-01-01

    Multiphase, reactive transport modeling was used to identify the mechanisms controlling trace metal release under elevated CO2 conditions from a well-characterized carbonate aquifer. Modeling was conducted for two experimental scenarios: batch experiments to simulate sudden, fast, and short-lived release of CO2 as would occur in the case of well failure during injection, and column experiments to simulate more gradual leaks such as those occurring along undetected faults, fractures, or well linings. Observed and predicted trace metal concentrations are compared to groundwater concentrations from this aquifer to determine the potential for leaking CO2 to adversely impact drinking water quality. Finally, a three-dimensional multiphase flow and reactive-transport simulation of CO2 leakage from an abandoned wellbore into a generalized model of the shallow, unconfined portion of the aquifer is used to determine potential impacts on groundwater quality. As a measure of adverse impacts on groundwater quality, both the EPA’s MCL limits and the maximum trace metal concentration observed in the aquifer were used as threshold values.

  11. AN INTEGRATED MODELING FRAMEWORK FOR CARBON MANAGEMENT TECHNOLOGIES

    SciTech Connect

    Anand B. Rao; Edward S. Rubin; Michael B. Berkenpas

    2004-03-01

    CO{sub 2} capture and storage (CCS) is gaining widespread interest as a potential method to control greenhouse gas emissions from fossil fuel sources, especially electric power plants. Commercial applications of CO{sub 2} separation and capture technologies are found in a number of industrial process operations worldwide. Many of these capture technologies also are applicable to fossil fuel power plants, although applications to large-scale power generation remain to be demonstrated. This report describes the development of a generalized modeling framework to assess alternative CO{sub 2} capture and storage options in the context of multi-pollutant control requirements for fossil fuel power plants. The focus of the report is on post-combustion CO{sub 2} capture using amine-based absorption systems at pulverized coal-fired plants, which are the most prevalent technology used for power generation today. The modeling framework builds on the previously developed Integrated Environmental Control Model (IECM). The expanded version with carbon sequestration is designated as IECM-cs. The expanded modeling capability also includes natural gas combined cycle (NGCC) power plants and integrated coal gasification combined cycle (IGCC) systems as well as pulverized coal (PC) plants. This report presents details of the performance and cost models developed for an amine-based CO{sub 2} capture system, representing the baseline of current commercial technology. The key uncertainties and variability in process design, performance and cost parameters which influence the overall cost of carbon mitigation also are characterized. The new performance and cost models for CO{sub 2} capture systems have been integrated into the IECM-cs, along with models to estimate CO{sub 2} transport and storage costs. The CO{sub 2} control system also interacts with other emission control technologies such as flue gas desulfurization (FGD) systems for SO{sub 2} control. The integrated model is applied to

  12. Carbonate apron models: Alternatives to the submarine fan model for paleoenvironmental analysis and hydrocarbon exploration

    USGS Publications Warehouse

    Mullins, H.T.; Cook, H.E.

    1986-01-01

    carbonate apron models presented here offer alternatives to the submarine-fan model for paleoenvironmental analysis and hydrocarbon exploration for mass-transported carbonate facies. ?? 1986.

  13. Nuclear magnetic resonance and molecular modeling study of exocyclic carbon-carbon double bond polarization in benzylidene barbiturates

    NASA Astrophysics Data System (ADS)

    Figueroa-Villar, J. Daniel; Vieira, Andreia A.

    2013-02-01

    Benzylidene barbiturates are important materials for the synthesis of heterocyclic compounds with potential for the development of new drugs. The reactivity of benzylidene barbiturates is mainly controlled by their exocyclic carbon-carbon double bond. In this work, the exocyclic double bond polarization was estimated experimentally by NMR and correlated with the Hammett σ values of the aromatic ring substituents and the molecular modeling calculated atomic charge difference. It is demonstrated that carbon chemical shift differences and NBO charge differences can be used to predict their reactivity.

  14. Constitutive modeling of calcium carbonate supersaturated seawater mixtures

    NASA Astrophysics Data System (ADS)

    Reis, Martina; Sousa, Maria De Fátima; Bertran, Celso; Bassi, Adalberto

    2014-11-01

    Calcium carbonate supersaturated seawater mixtures have attracted attention of many researchers since the deposition of CaCO3(s) from such solutions can lead to scaling problems in oil fields. However, despite their evident practical importance in petroleum engineering, the hydro and thermodynamic behaviors of these mixtures have not been well-understood yet. In this work, a constitutive model based on the foundations of the constitutive theory of continuum mechanics, and the Müller-Liu entropy principle is proposed. The calcium carbonate supersaturated seawater mixture is regarded as a reactive viscous fluid with heat and electrical conductions. The obtained results indicate that the thermodynamic behavior of CaCO3 supersaturated seawater mixtures is closely related to the individual dynamics of each constituent of the mixture, particularly to the linear momentum, and mass exchanges. Furthermore, the results show that, unlike classical continuum mixtures, the extra entropy flux is not null, and higher-order gradients of deformation contribute to the residual entropy production of the class of mixtures under study. The results of this work may be relevant for the prevention of the mineral scale formation in oil fields. The first author acknowledges the São Paulo Research Foundation (Grant 2013/ 20872-2) for its funding.

  15. Carbon and nitrogen dynamics in a soil profile: Model development

    NASA Astrophysics Data System (ADS)

    Batlle-Aguilar, Jordi; Brovelli, Alessandro; Barry, D. Andrew

    2010-05-01

    In order to meet demands for crops, pasture and firewood, the rate of land use change from forested to agricultural uses has steadily increased over several decades, resulting in an increased release of nutrients towards groundwater and surface water bodies. In parallel, the degradation of riparian zones has diminished their capacity to provide critical ecosystem functions, such as the ability to control and buffer nutrient cycles. In recent years, however, the key environmental importance of natural, healthy ecosystems has been progressively recognized and restoration of degraded lands towards their former natural state has become an area of active research worldwide. Land use changes and restoration practices are known to affect both soil nutrient dynamics and their transport to neighbouring areas. To this end, in order to interpret field experiments and elucidate the different mechanisms taking place, numerical tools are beneficial. Microbiological transformations of the soil organic matter, including decomposition and nutrient turnover are controlled to a large extent by soil water content, influenced in turn by climatic and environmental conditions such as precipitation and evapotranspiration. The work presented here is part of the Swiss RECORD project (http://www.cces.ethz.ch/projects/nature/Record), a large collaborative research effort undertaken to monitor the changes in ecosystem functioning in riparian areas undergoing restoration. In this context we have developed a numerical model to simulate carbon and nitrogen transport and turnover in a one-dimensional variably saturated soil profile. The model is based on the zero-dimensional mechanistic batch model of Porporato et al. (Adv. Water Res., 26: 45-58, 2003), but extends its capabilities to simulate (i) the transport of the mobile components towards deeper horizons, and (ii) the vertical evolution of the profile and the subsequent distribution of the organic matter. The soil is divided in four

  16. Observation-based modelling of permafrost carbon fluxes with accounting for deep carbon deposits and thermokarst activity

    NASA Astrophysics Data System (ADS)

    Schneider von Deimling, Thomas; Grosse, Guido; Strauss, Jens; Schirrmeister, Lutz; Morgenstern, Anne; Schaphoff, Sibyll; Meinshausen, Malte; Boike, Julia

    2015-04-01

    With rising global temperatures and consequent permafrost degradation a part of old carbon stored in high latitude soils will become available for microbial decay and eventual release to the atmosphere. To estimate the strength and timing of future carbon dioxide and methane fluxes from newly thawed permafrost carbon, we have developed a simplified, two-dimensional multi-pool model. As large amounts of soil organic matter are stored in depths below three meters, we have also simulated carbon release from deep deposits in Yedoma regions. For this purpose we have modelled abrupt thaw under thermokarst lakes which can unlock large amounts of soil carbon buried deep in the ground. The computational efficiency of our 2-D model allowed us to run large, multi-centennial ensembles of differing scenarios of future warming to express uncertainty inherent to simulations of the permafrost-carbon feedback. Our model simulations, which are constrained by multiple lines of recent observations, suggest cumulated CO2 fluxes from newly thawed permafrost until the year 2100 of 20-58 Pg-C under moderate warming (RCP2.6), and of 42-141Pg-C under strong warming (RCP8.5). Under intense thermokarst activity, our simulated methane fluxes proved substantial and caused up to 40 % of total permafrost-affected radiative forcing in the 21st century. By quantifying CH4 contributions from different pools and depth levels, we discuss the role of thermokarst dynamics in affecting future Arctic carbon release. The additional global warming through the release from newly thawed permafrost carbon proved only slightly dependent on the pathway of anthropogenic emission in our simulations and reached about 0.1°C by end of the century. The long-term, permafrost-affected global warming increased further in the 22nd and 23rd century, reaching a maximum of about 0.4°C in the year 2300.

  17. Molecular Modeling and Adsorption Properties of Ordered Silica-Templated CMK Mesoporous Carbons.

    PubMed

    Jain, Surendra Kumar; Pellenq, Roland J-M; Gubbins, Keith E; Peng, Xuan

    2017-03-07

    Realistic molecular models of silica-templated CMK-1, CMK-3, and CMK-5 carbon materials have been developed by using carbon rods and carbon pipes that were obtained by adsorbing carbon in a model MCM-41 pore. The interactions between the carbon atoms with the silica matrix were described using the PN-Traz potential, and the interaction between the carbon atoms was calculated by the reactive empirical bond order (REBO) potential. Carbon rods and pipes with different thicknesses were obtained by changing the silica-carbon interaction strength, the temperature, and the chemical potential of carbon vapor adsorption. These equilibrium structures were further used to obtain the atomic models of CMK-1, CMK-3, and CMK-5 materials using the same symmetry as found in TEM pictures. These models are further refined and made more realistic by adding interconnections between the carbon rods and carbon pipes. We calculated the geometric pore size distribution of the different models of CMK-5 and found that the presence of interconnections results in some new features in the pore size distribution. Argon adsorption properties were investigated using GCMC simulations to characterize these materials at 77 K. We found that the presence of interconnection results greatly improves the agreement with available experimental data by shifting the capillary condensation to lower pressures. Adding interconnections also induces smoother adsorption/condensation isotherms, and desorption/evaporation curves show a sharp jump. These features reflex the complexity of the nanovoids in CMKs in terms of their pore morphology and topology.

  18. Measuring and Modelling the Carbon Balance of Pinus palustris Savannas

    NASA Astrophysics Data System (ADS)

    Wright, J. K.; Williams, M. D.; Mitchell, R. J.; Starr, G.; McGee, J.; Whelan, A.

    2011-12-01

    Longleaf pine savannas currently occupy 1.4 million hectares in the South Eastern USA - only 2.6% of their original range. These fire-dependent ecosystems are highly biodiverse and of economic and ecological importance to the region. This region of the United States, however, is increasingly prone to severe drought, including a classified "exceptional" drought in 2011. Drought occurrence and severity are likely to increase in future climate scenarios. Moreover, increasing drought and accompanying wildfire will influence the carbon balance of the South East, a region identified as having the highest carbon sequestration potential in the USA. Thus, understanding the effects of drought on the native longleaf pine savanna land cover, therefore, is of both scientific and economic interest. Longleaf pine exists over a wide soil moisture gradient, driven by the texture and drainage capacity of the soils. These ecosystems therefore provide a natural laboratory for exploring the interaction between productivity, fire and water use. Here we present results of a 3 year study comparing the ecophysiology and carbon balance of two adjacent (5 mile separation) longleaf pine savanna flux sites, one xeric, one mesic. A process-based model (Soil-Plant-Atmosphere - SPA) and leaf-level measurements of photosynthesis and water use in drought and non-drought periods have enabled the authors to partition the carbon fluxes observed at each site into three functional groups (C4 understorey, C3 canopy and mid-storey). Results of this study show that the comparative overall productivity of wet and dry longleaf pine savannas varies through the year, with both wet and dry sites achieving similar productivity in the summer months but with the wet site exceeding the dry site during winter. We hypothesise that this difference is due to the activity of the seasonal C4 understorey. Results from SPA, flux data and field measurements suggest the understorey, dominated by the C4 grass Aristida stricta

  19. Carbon stock and carbon turnover in boreal and temperate forests - Integration of remote sensing data and global vegetation models

    NASA Astrophysics Data System (ADS)

    Thurner, Martin; Beer, Christian; Carvalhais, Nuno; Forkel, Matthias; Tito Rademacher, Tim; Santoro, Maurizio; Tum, Markus; Schmullius, Christiane

    2016-04-01

    Long-term vegetation dynamics are one of the key uncertainties of the carbon cycle. There are large differences in simulated vegetation carbon stocks and fluxes including productivity, respiration and carbon turnover between global vegetation models. Especially the implementation of climate-related mortality processes, for instance drought, fire, frost or insect effects, is often lacking or insufficient in current models and their importance at global scale is highly uncertain. These shortcomings have been due to the lack of spatially extensive information on vegetation carbon stocks, which cannot be provided by inventory data alone. Instead, we recently have been able to estimate northern boreal and temperate forest carbon stocks based on radar remote sensing data. Our spatially explicit product (0.01° resolution) shows strong agreement to inventory-based estimates at a regional scale and allows for a spatial evaluation of carbon stocks and dynamics simulated by global vegetation models. By combining this state-of-the-art biomass product and NPP datasets originating from remote sensing, we are able to study the relation between carbon turnover rate and a set of climate indices in northern boreal and temperate forests along spatial gradients. We observe an increasing turnover rate with colder winter temperatures and longer winters in boreal forests, suggesting frost damage and the trade-off between frost adaptation and growth being important mortality processes in this ecosystem. In contrast, turnover rate increases with climatic conditions favouring drought and insect outbreaks in temperate forests. Investigated global vegetation models from the Inter-Sectoral Impact Model Intercomparison Project (ISI-MIP), including HYBRID4, JeDi, JULES, LPJml, ORCHIDEE, SDGVM, and VISIT, are able to reproduce observation-based spatial climate - turnover rate relationships only to a limited extent. While most of the models compare relatively well in terms of NPP, simulated

  20. A Semi-Empirical Two Step Carbon Corrosion Reaction Model in PEM Fuel Cells

    SciTech Connect

    Young, Alan; Colbow, Vesna; Harvey, David; Rogers, Erin; Wessel, Silvia

    2013-01-01

    The cathode CL of a polymer electrolyte membrane fuel cell (PEMFC) was exposed to high potentials, 1.0 to 1.4 V versus a reversible hydrogen electrode (RHE), that are typically encountered during start up/shut down operation. While both platinum dissolution and carbon corrosion occurred, the carbon corrosion effects were isolated and modeled. The presented model separates the carbon corrosion process into two reaction steps; (1) oxidation of the carbon surface to carbon-oxygen groups, and (2) further corrosion of the oxidized surface to carbon dioxide/monoxide. To oxidize and corrode the cathode catalyst carbon support, the CL was subjected to an accelerated stress test cycled the potential from 0.6 VRHE to an upper potential limit (UPL) ranging from 0.9 to 1.4 VRHE at varying dwell times. The reaction rate constants and specific capacitances of carbon and platinum were fitted by evaluating the double layer capacitance (Cdl) trends. Carbon surface oxidation increased the Cdl due to increased specific capacitance for carbon surfaces with carbon-oxygen groups, while the second corrosion reaction decreased the Cdl due to loss of the overall carbon surface area. The first oxidation step differed between carbon types, while both reaction rate constants were found to have a dependency on UPL, temperature, and gas relative humidity.

  1. An alternate mathematical model for single-wall carbon nanotubes

    NASA Astrophysics Data System (ADS)

    Cotfas, Nicolae

    2005-09-01

    The positions of atoms forming a carbon nanotube are usually described by using a system of generators of the symmetry group. Each atomic position corresponds to an element of the set Z×{0,1,…,n}×{0,1}, where n is a natural number depending on the considered nanotube. We obtain an alternate rather different description by starting from a description of the honeycomb lattice in terms of Miller indices. In our mathematical model which is a factor space defined by an equivalence relation in the set {(v0,v1,v2)∈Z|v0+v1+v2∈{0,1}} the neighbours of an atomic position can be described in a simpler way, and the mathematical objects with geometric or physical significance have a simpler and more symmetric form.

  2. Multiscale Modeling of Thermal Conductivity of Polymer/Carbon Nanocomposites

    NASA Technical Reports Server (NTRS)

    Clancy, Thomas C.; Frankland, Sarah-Jane V.; Hinkley, Jeffrey A.; Gates, Thomas S.

    2010-01-01

    Molecular dynamics simulation was used to estimate the interfacial thermal (Kapitza) resistance between nanoparticles and amorphous and crystalline polymer matrices. Bulk thermal conductivities of the nanocomposites were then estimated using an established effective medium approach. To study functionalization, oligomeric ethylene-vinyl alcohol copolymers were chemically bonded to a single wall carbon nanotube. The results, in a poly(ethylene-vinyl acetate) matrix, are similar to those obtained previously for grafted linear hydrocarbon chains. To study the effect of noncovalent functionalization, two types of polyethylene matrices. -- aligned (extended-chain crystalline) vs. amorphous (random coils) were modeled. Both matrices produced the same interfacial thermal resistance values. Finally, functionalization of edges and faces of plate-like graphite nanoparticles was found to be only modestly effective in reducing the interfacial thermal resistance and improving the composite thermal conductivity

  3. Modeling Dissolved Organic Carbon (DOC) Dynamics in Flooded Wetlands

    EPA Science Inventory

    Wetlands play an important role in the global carbon cycle and are recognized for their considerable potential to sequester carbon. Wetlands contain the largest component (18-30%) of the terrestrial carbon pool and are responsible for about a quarter of the global methane emissi...

  4. Mathematical modeling of stable carbon isotope ratios in natural gases^@?

    NASA Astrophysics Data System (ADS)

    Tang, Y.; Perry, J. K.; Jenden, P. D.; Schoell, M.

    2000-08-01

    A new approach is presented for mathematical modeling of stable carbon isotope ratios in hydrocarbon gases based on both theoretical and experimental data. The kinetic model uses a set of parallel first-order gas generation reactions in which the relative cracking rates of isotopically substituted (k∗) and unsubstituted (k) bonds are represented by the equation k∗/k=(Af∗/Af) exp(-ΔEa/RT), where R is the gas constant and T is temperature. Quantum chemistry calculations have been used to estimate the entropic (A f∗/A f) and enthalpic (ΔEa) terms for homolytic bond cleavage in a variety of simple molecules. For loss of a methyl group from a short-chain n-alkane (≤ C 6), for example, we obtain an average ΔEa of 42.0 cal/mol and an average A f∗/A f of 1.021. Expressed differently, 13C-methane generation is predicted to be 2.4% (24‰) slower than 12C-methane generation (from a short-chain n-alkane) in a sedimentary basin at 200°C but only 0.7% (7‰) slower in a laboratory heating experiment at 500°C. Similar calculations carried out for homolytic bond cleavage in other molecules show that with few exceptions, ΔEa varies between 0 and 60 cal/mol and A f∗/A f between 1.00 and 1.04. Examination of this larger data set reveals: (1) a weak sigmoid relationship between ΔEa and bond dissociation energy; and (2) a strong positive correlation between ΔEa and A f∗/A f. The significance of these findings is illustrated by fitting a kinetic model to chemical and isotopic data for the generation of methane from n-octadecane under isothermal closed-system conditions. For a specific temperature history, the fitted model provides quantitative relationships among methane carbon isotope composition, total methane yield and methane generation rate which may have relevance to the cracking of oil-prone kerogens and crude oil. The observed variability of the kinetic reactivity of various methane source rocks highlights the need to apply and adequately calibrate such

  5. Potential for progress in carbon cycle modeling: models as tools and representations of reality (Invited)

    NASA Astrophysics Data System (ADS)

    Caldeira, K.

    2013-12-01

    Some carbon cycle modelers conceive of themselves as developing a representation of reality that will serve as a general purpose tool that can be used to make a wide variety of predictions. However, models are tools used to solve particular problems. If we were to ask, 'what tool is best for fastening two pieces of wood together,' depending on the circumstances that tool could be hammer, a screw driver, or perhaps some sort of glue gun. And the best kind of screw driver might depend on whether we were thinking about Philips or flat headed screws. If there is no unique answer to the question of which type of tool is best for fastening two pieces of wood together, surely there is no unique answer to the question of which type of model is best for making carbon-cycle predictions. We must first understand what problem we are trying to solve. Some modeling studies try to make the most reliable projections, considering as many processes and predicting as many observables as possible, whereas other modeling studies try to show how general trends depend on relatively few (perhaps highly aggregated) processes. This talk will look at CMIP5 carbon-cycle model results and address the issue of the extent to which the overall global-scale trends projected by these detailed models might projected by models with many fewer degrees of freedom. It should be noted that an ocean carbon-cycle model that predicts many observables at local scale is much more easily falsified (and thus in some sense is more ';scientific') than an ocean model that predicts only global scale phenomena. Nevertheless, if all that is needed is a crude estimate of global ocean CO2 uptake (say, to permit as study of the carbon-cycle on land), a simple representation of the ocean carbon cycle may suffice. This talk will take as its jumping off point two quotes: 'All models are wrong, some are useful.' - George E.P. Box 'Models should be as simple as possible but no simpler.' - Albert Einstein (likely an erroneous

  6. Towards an improvement of carbon accounting for wildfires: incorporation of charcoal production into carbon emission models

    NASA Astrophysics Data System (ADS)

    Doerr, Stefan H.; Santin, Cristina; de Groot, Bill

    2015-04-01

    Every year fires release to the atmosphere the equivalent to 20-30% of the carbon (C) emissions from fossil fuel consumption, with future emissions from wildfires expected to increase under a warming climate. Critically, however, part of the biomass C affected by fire is not emitted during burning, but converted into charcoal, which is very resistant to environmental degradation and, thus, contributes to long-term C sequestration. The magnitude of charcoal production from wildfires as a long-term C sink remains essentially unknown and, to the date, charcoal production has not been included in wildfire emission and C budget models. Here we present complete inventories of charcoal production in two fuel-rich, but otherwise very different ecosystems: i) a boreal conifer forest (experimental stand-replacing crown fire; Canada, 2012) and a dry eucalyptus forest (high-intensity fuel reduction burn; Australia 2014). Our data show that, when considering all the fuel components and quantifying all the charcoal produced from each (i.e. bark, dead wood debris, fine fuels), the overall amount of charcoal produced is significant: up to a third of the biomass C affected by fire. These findings indicate that charcoal production from wildfires could represent a major and currently unaccounted error in the estimation of the effects of wildfires in the global C balance. We suggest an initial approach to include charcoal production in C emission models, by using our case study of a boreal forest fire and the Canadian Fire Effects Model (CanFIRE). We also provide recommendations of how a 'conversion factor' for charcoal production could be relatively easily estimated when emission factors for different types of fuels and fire conditions are experimentally obtained. Ultimately, this presentation is a call for integrative collaboration between the fire emission modelling community and the charcoal community to work together towards the improvement of C accounting for wildfires.

  7. A Hydro-mechanical Model and Analytical Solutions for Geomechanical Modeling of Carbon Dioxide Geological Sequestration

    SciTech Connect

    Xu, Zhijie; Fang, Yilin; Scheibe, Timothy D.; Bonneville, Alain

    2012-05-15

    We present a hydro-mechanical model for geological sequestration of carbon dioxide. The model considers the poroelastic effects by taking into account the coupling between the geomechanical response and the fluid flow in greater detail. The simplified hydro-mechanical model includes the geomechanical part that relies on the linear elasticity, while the fluid flow is based on the Darcy’s law. Two parts were coupled using the standard linear poroelasticity. Analytical solutions for pressure field were obtained for a typical geological sequestration scenario. The model predicts the temporal and spatial variation of pressure field and effects of permeability and elastic modulus of formation on the fluid pressure distribution.

  8. Aboveground biomass and carbon stocks modelling using non-linear regression model

    NASA Astrophysics Data System (ADS)

    Ain Mohd Zaki, Nurul; Abd Latif, Zulkiflee; Nazip Suratman, Mohd; Zainee Zainal, Mohd

    2016-06-01

    Aboveground biomass (AGB) is an important source of uncertainty in the carbon estimation for the tropical forest due to the variation biodiversity of species and the complex structure of tropical rain forest. Nevertheless, the tropical rainforest holds the most extensive forest in the world with the vast diversity of tree with layered canopies. With the usage of optical sensor integrate with empirical models is a common way to assess the AGB. Using the regression, the linkage between remote sensing and a biophysical parameter of the forest may be made. Therefore, this paper exemplifies the accuracy of non-linear regression equation of quadratic function to estimate the AGB and carbon stocks for the tropical lowland Dipterocarp forest of Ayer Hitam forest reserve, Selangor. The main aim of this investigation is to obtain the relationship between biophysical parameter field plots with the remotely-sensed data using nonlinear regression model. The result showed that there is a good relationship between crown projection area (CPA) and carbon stocks (CS) with Pearson Correlation (p < 0.01), the coefficient of correlation (r) is 0.671. The study concluded that the integration of Worldview-3 imagery with the canopy height model (CHM) raster based LiDAR were useful in order to quantify the AGB and carbon stocks for a larger sample area of the lowland Dipterocarp forest.

  9. Mapping the distribution of global carbonate cover from 0 to 100 Ma by modelling the carbonate compensation depth

    NASA Astrophysics Data System (ADS)

    Lithgow-Bertelloni, C. R.; Davis, J.

    2014-12-01

    The oceans play an important part in regulating the carbon cycle and climate system, acting as a buffer between the carbon in the atmosphere and the deep earth. Of all dissolved inorganic carbon (DIC) in the ocean, only carbonate can exist in a solid state (mostly as calcite). As such, the carbonate compensation depth (CCD) acts as control on this buffer, governing the distribution of sedimentary carbonate The CCD today is around 4.5 km depth, though previous work that looked at the composition of sediments on the ocean floor has suggested that CCD was different in the past (e.g. Pälike et al., 2012; Sclater et al., 1977). These studies mostly show the CCD decreasing to shallower depths through the Cenozoic and the Mesozoic. The deepening of the CCD through time is consistent with the decrease in atmospheric CO2 over time shown in the GEOCARB models (Berner, 1987; Berner and Kothavala, 2001; Berner, 2006); more carbon is being stored in the ocean as sediment. We look at the evolution of the CCD since 100 Ma and how this has affected the distribution of sedimentary carbonate on the ocean floor. We combine recent advancements in determining palaeobathymetry into the Mesozoic from reconstructed ages of the ocean floor (Müller et al., 2008) in conjunction with a geochemical model by Boudreau et al. (2010) for the average CCD today, applying it from 0 to 100 Ma. Assuming values for ocean ion concentrations, productivity rates, and solubility constants we make a first order model. The model is sensitive to changes in the dissolved concentration of carbonate. In the reconstruction where the surface saturation state of calcite was decreased going back to 100 Ma, the CCD gradually deepens with time, consistent with other independent studies. The CCD reconstructions were then used to map the theoretical extent of global sedimentary carbonate and determine proximity to subduction zones. The maps suggest that the amount of sedimentary carbon being subducted has increased

  10. Factorial Based Response Surface Modeling with Confidence Intervals for Optimizing Thermal Optical Transmission Analysis of Atmospheric Black Carbon

    EPA Science Inventory

    We demonstrate how thermal-optical transmission analysis (TOT) for refractory light-absorbing carbon in atmospheric particulate matter was optimized with empirical response surface modeling. TOT employs pyrolysis to distinguish the mass of black carbon (BC) from organic carbon (...

  11. Modeling carbon and silicon cycling in the equatorial Pacific

    NASA Astrophysics Data System (ADS)

    Fujii, Masahiko; Chai, Fei

    2007-03-01

    The equatorial Pacific is a region of significant particulate inorganic carbon (PIC) and biogenic silica sedimentation, the majority of which is carried out by coccolithophorids and diatoms. We developed an ecosystem model that explicitly includes three phytoplankton functional groups (picoplankton, coccolithophorids, and diatoms), two zooplankton functional groups (microzooplankton and mesozooplankton), nutrients (nitrate NO 3, ammonium NH 4, and silicate Si(OH) 4), detritus (particulate organic matter, biogenic silica, and PIC), total alkalinity, total CO 2, and partial pressure of CO 2 at the surface water (pCO 2sea). The model is capable of reproducing many biogeochemical features for the region, such as high-nutrient low-chlorophyll condition, significant exposure of phytoplankton under grazing controls by zooplankton, and large CO 2 release to the atmosphere. The export ratio of PIC to particulate organic carbon (rain ratio) to the deep water was 0.16, higher than the global-mean values, implying predominant PIC sedimentation in the equatorial Pacific upwelling region. Comparison between calcification and no-calcification model results indicates that when coccolithophorids are present, the community interactions actually induce more diatom biomass, export fluxes of detritus, and CO 2 release to the atmosphere. The model results show remarkable calcification in the subsurface layers, which suggests more field data on calcification processes are needed. Increase of source (120 m depth) Si(OH) 4 concentration associated with the tropical instability waves lead to a linear increase in biogenic silica export. Higher Si(OH) 4 concentration stimulates diatom growth, which causes a decrease in picoplankton because feeding pressure by mesozooplankton switched from picoplankton's grazer, microzooplankton, to the abundant diatoms. Surface coccolithophorid biomass has its maximum at intermediate source Si(OH) 4 concentrations as a result of higher grazing pressure on

  12. A global model of carbon-nutrient interactions

    NASA Technical Reports Server (NTRS)

    Moore, Berrien, III; Gildea, Patricia; Vorosmarty, Charles; Mellilo, Jerry M.; Peterson, Bruce J.

    1985-01-01

    The global biogeochemical model presented has two primary objectives. First, it characterizes natural elemental cycles and their linkages for the four elements significant to Earth's biota: C, N, S, and P. Second, it describes changes in these cycles due to human activity. Global nutrient cycles were studied within the drainage basins of several major world rivers on each continent. The initial study region was the Mississippi drainage basin, concentrating on carbon and nitrogen. The model first establishes the nutrient budgets of the undisturbed ecosystems in a study region. It then uses a data set of land use histories for that region to document the changes in these budgets due to land uses. Nutrient movement was followed over time (1800 to 1980) for 30 ecosystems and 10 land use categories. A geographically referenced ecological information system (GREIS) was developed to manage the digital global data bases of 0.5 x 0.5 grid cells needed to run the model: potential vegetation, drainage basins, precipitation, runoff, contemporary land cover, and FAO soil maps of the world. The results show the contributions of land use categories to river nutrient loads on a continental scale; shifts in nutrient cycling patterns from closed, steady state systems to mobile transient or open, steady state systems; soil organic matter depletion patterns in U.S. agricultural lands; changing nutrient ratios due to land use changes; and the effect of using heavy fertilizer on aquatic systems.

  13. Multiscale Modeling of Heat Conduction in Carbon Nanotube Aerogels

    NASA Astrophysics Data System (ADS)

    Gong, Feng; Papavassiliou, Dimitrios; Duong, Hai

    Carbon nanotube (CNT) aerogels have attracted a lot of interest due to their ultrahigh strength/weight and surface area/weight ratios. They are promising advanced materials used in energy storage systems, hydrogen storage media and weight-conscious devices such as satellites, because of their ultralight and highly porous quality. CNT aerogels can have excellent electrical conductivity and mechanical strength. However, the thermal conductivity of CNT aerogels are as low as 0.01-0.1 W/mK, which is five orders of magnitude lower than that of CNT (2000-5000 W/mK). To investigate the mechanisms for the low thermal conductivity of CNT aerogels, multiscale models are built in this study. Molecular dynamic (MD) simulations are first carried out to investigate the heat transfer between CNT and different gases (e.g. nitrogen and hydrogen), and the thermal conductance at CNT-CNT interface. The interfacial thermal resistances of CNT-gas and CNT-CNT are estimated from the MD simulations. Mesoscopic modeling of CNT aerogels are then built using an off-lattice Monte Carlo (MC) simulations to replicate the realistic CNT aerogels. The interfacial thermal resistances estimated from MD simulations are used as inputs in the MC models to predict the thermal conductivity of CNT aerogels. The volume fractions and the complex morphologies of CNTs are also quantified to study their effects on the thermal conductivity of CNT aerogels. The quantitative findings may help researchers to obtain the CNT aerogels with expected thermal conductivity.

  14. Modeling carbon monoxide spread in underground mine fires

    PubMed Central

    Yuan, Liming; Zhou, Lihong; Smith, Alex C.

    2016-01-01

    Carbon monoxide (CO) poisoning is a leading cause of mine fire fatalities in underground mines. To reduce the hazard of CO poisoning in underground mines, it is important to accurately predict the spread of CO in underground mine entries when a fire occurs. This paper presents a study on modeling CO spread in underground mine fires using both the Fire Dynamics Simulator (FDS) and the MFIRE programs. The FDS model simulating part of the mine ventilation network was calibrated using CO concentration data from full-scale mine fire tests. The model was then used to investigate the effect of airflow leakage on CO concentration reduction in the mine entries. The inflow of fresh air at the leakage location was found to cause significant CO reduction. MFIRE simulation was conducted to predict the CO spread in the entire mine ventilation network using both a constant heat release rate and a dynamic fire source created from FDS. The results from both FDS and MFIRE simulations are compared and the implications of the improved MFIRE capability are discussed. PMID:27069400

  15. Siberian Arctic black carbon sources constrained by model and observation

    NASA Astrophysics Data System (ADS)

    Winiger, Patrik; Andersson, August; Eckhardt, Sabine; Stohl, Andreas; Semiletov, Igor P.; Dudarev, Oleg V.; Charkin, Alexander; Shakhova, Natalia; Klimont, Zbigniew; Heyes, Chris; Gustafsson, Örjan

    2017-02-01

    Black carbon (BC) in haze and deposited on snow and ice can have strong effects on the radiative balance of the Arctic. There is a geographic bias in Arctic BC studies toward the Atlantic sector, with lack of observational constraints for the extensive Russian Siberian Arctic, spanning nearly half of the circum-Arctic. Here, 2 y of observations at Tiksi (East Siberian Arctic) establish a strong seasonality in both BC concentrations (8 ngṡm‑3 to 302 ngṡm‑3) and dual-isotope–constrained sources (19 to 73% contribution from biomass burning). Comparisons between observations and a dispersion model, coupled to an anthropogenic emissions inventory and a fire emissions inventory, give mixed results. In the European Arctic, this model has proven to simulate BC concentrations and source contributions well. However, the model is less successful in reproducing BC concentrations and sources for the Russian Arctic. Using a Bayesian approach, we show that, in contrast to earlier studies, contributions from gas flaring (6%), power plants (9%), and open fires (12%) are relatively small, with the major sources instead being domestic (35%) and transport (38%). The observation-based evaluation of reported emissions identifies errors in spatial allocation of BC sources in the inventory and highlights the importance of improving emission distribution and source attribution, to develop reliable mitigation strategies for efficient reduction of BC impact on the Russian Arctic, one of the fastest-warming regions on Earth.

  16. A Finite Element Model for Simulation of Carbon Dioxide Sequestration

    SciTech Connect

    Bao, Jie; Xu, Zhijie; Fang, Yilin

    2015-07-23

    We present a hydro-mechanical model, followed by stress, deformation, and shear-slip failure analysis for geological sequestration of carbon dioxide (CO2). The model considers the poroelastic effects by taking into account of the two-way coupling between the geomechanical response and the fluid flow process. Analytical solutions for pressure and deformation fields were derived for a typical geological sequestration scenario in our previous work. A finite element approach is introduced here for numerically solving the hydro-mechanical model with arbitrary boundary conditions. The numerical approach was built on an open-source finite element code Elmer, and results were compared to the analytical solutions. The shear-slip failure analysis was presented based on the numerical results, where the potential failure zone is identified. Information is relevant to the prediction of the maximum sustainable injection rate or pressure. The effects of caprock permeability on the fluid pressure, deformation, stress, and the shear-slip failure zone were also quantitatively studied. It was shown that a larger permeability in caprock and base rock leads to a larger uplift but a smaller shear-slip failure zone.

  17. Siberian Arctic black carbon sources constrained by model and observation.

    PubMed

    Winiger, Patrik; Andersson, August; Eckhardt, Sabine; Stohl, Andreas; Semiletov, Igor P; Dudarev, Oleg V; Charkin, Alexander; Shakhova, Natalia; Klimont, Zbigniew; Heyes, Chris; Gustafsson, Örjan

    2017-02-14

    Black carbon (BC) in haze and deposited on snow and ice can have strong effects on the radiative balance of the Arctic. There is a geographic bias in Arctic BC studies toward the Atlantic sector, with lack of observational constraints for the extensive Russian Siberian Arctic, spanning nearly half of the circum-Arctic. Here, 2 y of observations at Tiksi (East Siberian Arctic) establish a strong seasonality in both BC concentrations (8 ng⋅m(-3) to 302 ng⋅m(-3)) and dual-isotope-constrained sources (19 to 73% contribution from biomass burning). Comparisons between observations and a dispersion model, coupled to an anthropogenic emissions inventory and a fire emissions inventory, give mixed results. In the European Arctic, this model has proven to simulate BC concentrations and source contributions well. However, the model is less successful in reproducing BC concentrations and sources for the Russian Arctic. Using a Bayesian approach, we show that, in contrast to earlier studies, contributions from gas flaring (6%), power plants (9%), and open fires (12%) are relatively small, with the major sources instead being domestic (35%) and transport (38%). The observation-based evaluation of reported emissions identifies errors in spatial allocation of BC sources in the inventory and highlights the importance of improving emission distribution and source attribution, to develop reliable mitigation strategies for efficient reduction of BC impact on the Russian Arctic, one of the fastest-warming regions on Earth.

  18. DEFLAGRATION-TO-DETONATION TRANSITION IN LX-04 AS A FUNCTION OF LOADING DENSITY, TEMPERATURE, AND CONFINEMENT

    SciTech Connect

    Sandusky, H W; Granholm, R H; Bohl, D G; Vandersall, K S; Hare, D E; Garcia, F

    2006-06-20

    The potential for deflagration-to-detonation transition (DDT) in LX-04 (85/15 HMX/Viton) is being evaluated as a function of loading density, temperature, and confinement. In the high confinement arrangement, a matrix of tests is nearly completed with the LX-04 loaded at {approx} 51, 70, 90, and {approx} 99% of theoretical maximum density (TMD); and temperatures of ambient, 160 C, and 190 C at each loading density. A more limited set of tests with {approx}99 %TMD loadings at medium confinement were conducted at temperatures of ambient and 186 C. LX-04 does not undergo DDT at near TMD loadings in both medium and high confinement, although the latter still results in significant fragmentation. Most porous beds in high confinement undergo DDT, with the minimum run distance to detonation (l) for a 70 %TMD loading at ambient temperature. LX-04 does not transit to detonation for a pour density (51.3 %TMD) loading at 160 C, but does at 190 C with a longer l than at ambient. The limited ambient temperature measurements for l in high confinement are similar to previous data for 91/9 HMX/wax, which has nearly the same %volume of HMX as LX-04.

  19. Visualization of deflagration-to-detonation transitions in a channel with repeated obstacles using a hydrogen-oxygen mixture

    NASA Astrophysics Data System (ADS)

    Maeda, S.; Minami, S.; Okamoto, D.; Obara, T.

    2016-09-01

    The deflagration-to-detonation transition in a 100 mm square cross-section channel was investigated for a highly reactive stoichiometric hydrogen oxygen mixture at 70 kPa. Obstacles of 5 mm width and 5, 10, and 15 mm heights were equally spaced 60 mm apart at the bottom of the channel. The phenomenon was investigated primarily by time-resolved schlieren visualization from two orthogonal directions using a high-speed video camera. The detonation transition occurred over a remarkably short distance within only three or four repeated obstacles. The global flame speed just before the detonation transition was well below the sound speed of the combustion products and did not reach the sound speed of the initial unreacted gas for tests with an obstacle height of 5 and 10 mm. These results indicate that a detonation transition does not always require global flame acceleration beyond the speed of sound for highly reactive combustible mixtures. A possible mechanism for this detonation initiation was the mixing of the unreacted and reacted gas in the vicinity of the flame front convoluted by the vortex present behind each obstacle, and the formation of a hot spot by the shock wave. The final onset of the detonation originated from the unreacted gas pocket, which was surrounded by the obstacle downstream face and the channel wall.

  20. DEFLAGRATION-TO-DETONATION TRANSITION IN LX-04 AS A FUNCTION OF LOADING DENSITY, TEMPERATURE, AND CONFINEMENT

    SciTech Connect

    Sandusky, H W; Granholm, R H; Bohl, D G; Hare, D E; Vandersall, K S; Garcia, F

    2005-06-01

    The potential for deflagration-to-detonation transition (DDT) in LX-04 (85/15 HMX/Viton) is being evaluated as a function of loading density, temperature, and confinement. In the high confinement arrangement, a matrix of tests will be performed with the LX-04 loaded at {approx}50, 70, 90, and {approx}99 %TMD; and temperatures of ambient, 160 C, and 190 C, at each loading density. A more limited set of tests at medium confinement will be conducted. As expected, LX-04 does not undergo DDT at near TMD loadings in both medium and high confinement, although the later still results in significant fragmentation. In high confinement at pour density (50.3 %TMD), LX-04 does not transit to detonation at 160 C, but does at ambient and 190 C with the shortest run distance to detonation (l) at ambient temperature. With a 70% TMD loading at ambient temperature, l was even less. The limited ambient temperature measurements for l in high confinement are similar to previous data for 91/9 HMX/wax, which has nearly the same %volume of HMX as LX-04.

  1. A coupled carbon and plant hydraulic model to predict ecosystem carbon and water flux responses to disturbance and environmental change

    NASA Astrophysics Data System (ADS)

    Mackay, D. S.; Ewers, B. E.; Roberts, D. E.; McDowell, N. G.; Pendall, E.; Frank, J. M.; Reed, D. E.; Massman, W. J.; Mitra, B.

    2011-12-01

    Changing climate drivers including temperature, humidity, precipitation, and carbon dioxide (CO2) concentrations directly control land surface exchanges of CO2 and water. In a profound way these responses are modulated by disturbances that are driven by or exacerbated by climate change. Predicting these changes is challenging given that the feedbacks between environmental controls, disturbances, and fluxes are complex. Flux data in areas of bark beetle outbreaks in the western U.S.A. show differential declines in carbon and water flux in response to the occlusion of xylem by associated fungi. For example, bark beetle infestation at the GLEES AmeriFlux site manifested in a decline in summer water use efficiency to 60% in the year after peak infestation compared to previous years, and no recovery of carbon uptake following a period of high vapor pressure deficit. This points to complex feedbacks between disturbance and differential ecosystem reaction and relaxation responses. Theory based on plant hydraulics and extending to include links to carbon storage and exhaustion has potential for explaining these dynamics with simple, yet rigorous models. In this spirit we developed a coupled model that combines an existing model of canopy water and carbon flow, TREES [e.g., Loranty et al., 2010], with the Sperry et al., [1998] plant hydraulic model. The new model simultaneously solves carbon uptake and losses along with plant hydraulics, and allows for testing specific hypotheses on feedbacks between xylem dysfunction, stomatal and non-stomatal controls on photosynthesis and carbon allocation, and autotrophic and heterotrophic respiration. These are constrained through gas exchange, root vulnerability to cavitation, sap flux, and eddy covariance data in a novel model complexity-testing framework. Our analysis focuses on an ecosystem gradient spanning sagebrush to subalpine forests. Our modeling results support hypotheses on feedbacks between hydraulic dysfunction and 1) non

  2. Estimating dead organic matter carbon dynamics of an intact mixed dipterocarp forest in Brunei with a forest carbon model

    NASA Astrophysics Data System (ADS)

    Lee, J.; Lee, S.; Han, S. H.; Kim, S.; Roh, Y.; Abu Salim, K.; Davies, S. J.; Son, Y.

    2015-12-01

    Intact tropical forests contain substantial amount of carbon (C) and play an important role in global carbon cycles. Field measurement is needed to quantify dead organic matter (DOM) C dynamics in tropical forests while it requires much labor and cost. In contrast, forest carbon models can simulate C dynamics, overcoming the limitation of field measurement. In this study, we simulated the DOM C dynamics of an intact mixed dipterocarp forest at Kuala Belalong in Brunei, by using a forest carbon model. In order to estimate the annual changes in the C stocks of litter layer, dead root, coarse woody debris (CWD), and soils, a forest carbon model, KFSC model, was parameterized to the study site. In order to initialize the KFSC model, the C stocks in biomass, litter layer, CWD, and soils were measured in twenty seven 20 m x 20 m plots in 2014. The measured C stocks (Mg C ha-1) in litter layer, dead root, CWD, and soils were 3.2 ± 0.5, 4.0 ± 1.9, 32.5 ± 38.9, and 75.2 ± 9.2, respectively. The simulation results showed that the annual changes in the C stocks (Mg C ha-1 yr-1) of litter layer, dead root, CWD, and soils were 2.7 ± 2.0, 1.4 ± 1.8, -1.5 ± 7.7, and 0.5 ± 1.8, respectively. The total DOM C stocks tended to increase at the rate of 3.3 ± 9.6 Mg C ha-1 yr-1, but it exhibited the high variation. This might be attributed to the high variation of the annual changes in the CWD C stocks. Our results exhibited the applicability of forest carbon models to quantify DOM C dynamics in intact tropical rain forests. This study was supported by Korea Ministry of Environment (2014001310008) and Korea Forest Service (S121314L130110).

  3. Modeling of the HiPco process for carbon nanotube production. II. Reactor-scale analysis

    NASA Technical Reports Server (NTRS)

    Gokcen, Tahir; Dateo, Christopher E.; Meyyappan, M.

    2002-01-01

    The high-pressure carbon monoxide (HiPco) process, developed at Rice University, has been reported to produce single-walled carbon nanotubes from gas-phase reactions of iron carbonyl in carbon monoxide at high pressures (10-100 atm). Computational modeling is used here to develop an understanding of the HiPco process. A detailed kinetic model of the HiPco process that includes of the precursor, decomposition metal cluster formation and growth, and carbon nanotube growth was developed in the previous article (Part I). Decomposition of precursor molecules is necessary to initiate metal cluster formation. The metal clusters serve as catalysts for carbon nanotube growth. The diameter of metal clusters and number of atoms in these clusters are some of the essential information for predicting carbon nanotube formation and growth, which is then modeled by the Boudouard reaction with metal catalysts. Based on the detailed model simulations, a reduced kinetic model was also developed in Part I for use in reactor-scale flowfield calculations. Here this reduced kinetic model is integrated with a two-dimensional axisymmetric reactor flow model to predict reactor performance. Carbon nanotube growth is examined with respect to several process variables (peripheral jet temperature, reactor pressure, and Fe(CO)5 concentration) with the use of the axisymmetric model, and the computed results are compared with existing experimental data. The model yields most of the qualitative trends observed in the experiments and helps to understanding the fundamental processes in HiPco carbon nanotube production.

  4. The large influence of climate model bias on terrestrial carbon cycle simulations

    NASA Astrophysics Data System (ADS)

    Ahlström, Anders; Schurgers, Guy; Smith, Benjamin

    2017-01-01

    Global vegetation models and terrestrial carbon cycle models are widely used for projecting the carbon balance of terrestrial ecosystems. Ensembles of such models show a large spread in carbon balance predictions, ranging from a large uptake to a release of carbon by the terrestrial biosphere, constituting a large uncertainty in the associated feedback to atmospheric CO2 concentrations under global climate change. Errors and biases that may contribute to such uncertainty include ecosystem model structure, parameters and forcing by climate output from general circulation models (GCMs) or the atmospheric components of Earth system models (ESMs), e.g. as prepared for use in IPCC climate change assessments. The relative importance of these contributing factors to the overall uncertainty in carbon cycle projections is not well characterised. Here we investigate the role of climate model-derived biases by forcing a single global ecosystem-carbon cycle model, with original climate outputs from 15 ESMs and GCMs from the CMIP5 ensemble. We show that variation among the resulting ensemble of present and future carbon cycle simulations propagates from biases in annual means of temperature, precipitation and incoming shortwave radiation. Future changes in carbon pools, and thus land carbon sink trends, are also affected by climate biases, although to a smaller extent than the absolute size of carbon pools. Our results suggest that climate biases could be responsible for a considerable fraction of the large uncertainties in ESM simulations of land carbon fluxes and pools, amounting to about 40% of the range reported for ESMs. We conclude that climate bias-induced uncertainties must be decreased to make accurate coupled atmosphere-carbon cycle projections.

  5. Modeling carbon dynamics and social drivers of bioenergy agroecosystems

    NASA Astrophysics Data System (ADS)

    Hunt, Natalie D.

    Meeting society's energy needs through bioenergy feedstock production presents a significant and urgent challenge, as it can aid in achieving energy independence goals and mitigating climate change. With federal biofuel production standards to be met within the next decade, and with no commercial scale production or markets currently in place, many questions regarding the sustainability and social feasibility of bioenergy still persist. Clarifying these uncertainties requires the incorporation of biogeochemical, biophysical, and socioeconomic modeling tools. Chapter 2 validated the biogeochemical cycling model AGRO-BGC by comparing model estimates with empirical observations from corn and perennial C4 grass systems across Wisconsin and Illinois. AGRO-BGC, in its first application to an annual cropping system, was found to be a robust model for simulating carbon dynamics of an annual cropping system. Chapter 3 investigated the long-term implications of bioenergy feedstock harvest on soil productivity and erosion in annual corn and perennial switchgrass agroecosystems using AGRO-BGC and the soil erosion model RUSLE2. Modeling environments included biophysical landscape characteristics and management practices of bioenergy feedstock production systems. This study found that intensifying aboveground residue harvest reduces soil productivity over time, and the magnitude of these losses is greater in corn than in switchgrass systems. Results of this study will aid in the design of sustainable bioenergy feedstock management practices. Chapter 4 provided evidence that combining biophysical crop canopy characteristics with satellite-derived vegetation indices offers suitable estimates of crop canopy phenology for corn and soybeans in Southwest Wisconsin farms. LANDSAT based vegetation indices, when combined with a light use efficiency model, provide yield estimates in agreement with farmer reports, providing an efficient and accurate means of estimating crop yields from

  6. Grain formation around carbon stars. 1: Stationary outflow models

    NASA Technical Reports Server (NTRS)

    Egan, Michael P.; Leung, Chun Ming

    1995-01-01

    Asymptotic giant branch (AGB) stars are known to be sites of dust formation and undergo significant mass loss. The outflow is believed to be driven by radiation pressure on grains and momentum coupling between the grains and gas. While the physics of shell dynamics and grain formation are closely coupled, most previous models of circumstellar shells have treated the problem separately. Studies of shell dynamics typically assume the existence of grains needed to drive the outflow, while most grain formation models assume a constant veolcity wind in which grains form. Furthermore, models of grain formation have relied primarily on classical nucleation theory instead of using a more realistic approach based on chemical kinetics. To model grain formation in carbon-rich AGB stars, we have coupled the kinetic equations governing small cluster growth to moment equations which determine the growth of large particles. Phenomenological models assuming stationary outflow are presented to demonstrate the differences between the classical nucleation approach and the kinetic equation method. It is found that classical nucleation theory predicts nucleation at a lower supersaturation ratio than is predicted by the kinetic equations, resulting in significant differences in grain properties. Coagulation of clusters larger than monomers is unimportant for grain formation in high mass-loss models but becomes more important to grain growth in low mass-loss situations. The properties of the dust grains are altered considerably if differential drift velocities are ignored in modeling grain formation. The effect of stellar temperature, stellar luminosity, and different outflow velocities are investigated. The models indicate that changing the stellar temperature while keeping the stellar luminosity constant has little effect on the physical parameters of the dust shell formed. Increasing the stellar luminosity while keeping the stellar temperature constant results in large differences in

  7. A Mathematical Model for Determining Carbon Coating Thickness and Its Application in Electron Probe Microanalysis.

    PubMed

    Zhang, Ruo-Xi; Yang, Shui-Yuan

    2016-12-01

    In electron probe microanalysis where materials are coated with a thin conductive carbon coat before analysis, the X-ray intensity detected from a specimen may be affected to various degrees by the thickness of the carbon coating. Differences in the carbon film thickness between specimens and standards may lead to errors in analytical results, particular for lower energy X-rays. In this study, we demonstrate that the location and the distance of the specimen relative to the carbon tip in the coating chamber can affect the thickness of the carbon film produced on the specimen surface during carbon coating. The closer the specimen is to the carbon tip contacting point, the thicker is the carbon film deposited. A mathematical model to calculate the carbon film thickness at different locations on the coater plate is established, based on the assumption that carbon atoms evaporate from the carbon tip equally in all directions during the coating process. In order to reduce the differences in the carbon coating thickness, we suggest moving the carbon rod to a higher position, moving the thinner samples to the center and thicker samples to the edge of the coater plate, and using a rotating circular coater plate during coating.

  8. Reactive transport modeling of stable carbon isotope fractionation in a multi-phase multi-component system during carbon sequestration

    SciTech Connect

    Zhang, Shuo; DePaolo, Donald J.; Zheng, Liange; Mayer, Bernhard

    2014-12-31

    Carbon stable isotopes can be used in characterization and monitoring of CO2 sequestration sites to track the migration of the CO2 plume and identify leakage sources, and to evaluate the chemical reactions that take place in the CO2-water-rock system. However, there are few tools available to incorporate stable isotope information into flow and transport codes used for CO2 sequestration problems. We present a numerical tool for modeling the transport of stable carbon isotopes in multiphase reactive systems relevant to geologic carbon sequestration. The code is an extension of the reactive transport code TOUGHREACT. The transport module of TOUGHREACT was modified to include separate isotopic species of CO2 gas and dissolved inorganic carbon (CO2, CO32-, HCO3-,…). Any process of transport or reaction influencing a given carbon species also influences its isotopic ratio. Isotopic fractionation is thus fully integrated within the dynamic system. The chemical module and database have been expanded to include isotopic exchange and fractionation between the carbon species in both gas and aqueous phases. The performance of the code is verified by modeling ideal systems and comparing with theoretical results. Efforts are also made to fit field data from the Pembina CO2 injection project in Canada. We show that the exchange of carbon isotopes between dissolved and gaseous carbon species combined with fluid flow and transport, produce isotopic effects that are significantly different from simple two-component mixing. These effects are important for understanding the isotopic variations observed in field demonstrations.

  9. Reactive transport modeling of stable carbon isotope fractionation in a multi-phase multi-component system during carbon sequestration

    DOE PAGES

    Zhang, Shuo; DePaolo, Donald J.; Zheng, Liange; ...

    2014-12-31

    Carbon stable isotopes can be used in characterization and monitoring of CO2 sequestration sites to track the migration of the CO2 plume and identify leakage sources, and to evaluate the chemical reactions that take place in the CO2-water-rock system. However, there are few tools available to incorporate stable isotope information into flow and transport codes used for CO2 sequestration problems. We present a numerical tool for modeling the transport of stable carbon isotopes in multiphase reactive systems relevant to geologic carbon sequestration. The code is an extension of the reactive transport code TOUGHREACT. The transport module of TOUGHREACT was modifiedmore » to include separate isotopic species of CO2 gas and dissolved inorganic carbon (CO2, CO32-, HCO3-,…). Any process of transport or reaction influencing a given carbon species also influences its isotopic ratio. Isotopic fractionation is thus fully integrated within the dynamic system. The chemical module and database have been expanded to include isotopic exchange and fractionation between the carbon species in both gas and aqueous phases. The performance of the code is verified by modeling ideal systems and comparing with theoretical results. Efforts are also made to fit field data from the Pembina CO2 injection project in Canada. We show that the exchange of carbon isotopes between dissolved and gaseous carbon species combined with fluid flow and transport, produce isotopic effects that are significantly different from simple two-component mixing. These effects are important for understanding the isotopic variations observed in field demonstrations.« less

  10. Radiative Transfer Modeling of MESSENGER VIR Spectra of Mercury: Detection and Mapping of Submicroscopic Carbon

    NASA Astrophysics Data System (ADS)

    Trang, D.; Lucey, P. G.; Izenberg, N.

    2015-12-01

    The composition of Mercury is elusive because the planet is optically dark and exhibits a relatively featureless red visible and near-infrared spectrum. Studies have invoked opaque minerals and space weathering to explain these characteristics. In this study we used radiative transfer modeling of MESSENGER VIRS data to show that carbon is required to explain the detailed shape of the spectrum of Mercury from 0.3-1.5 µm. In this model, we assume the regolith comprises a high albedo host mineral, which contains nanophase and microphase iron and carbon. We varied the abundance of nanophase and microphase iron and carbon to fit the observed spectra. We found that the nanophase and microphase iron alone inadequately fits the visible portion of the observed spectra. By adding carbon, we find that nanophase and microphase iron and nanophase amorphous carbon fit the VIRS spectra consistently. We produced a global nanophase amorphous carbon map as well as nanophase and microphase iron maps. From the carbon map (see figure), we find that nanophase amorphous carbon is sensitive to geologic features associated with space weathering, such as fresh crater rays. Thus, amorphous carbon is a new indicator for regolith maturity. We also observe that the global average submicroscopic carbon content is 1.4±0.3 wt.% C, which is consistent with MESSENGER Gamma-Ray Spectrometer measurements. Using this abundance, we can constrain the source of water and carbon on Mercury. Assuming the water ice in the poles is derived from wet impactors, both asteroids and comets, and knowing C/H ratios of those sources, the surface nanophase carbon layer can be no thicker than 10 m if all carbon is derived from an exogenous source. It is almost certain the space weathered regolith on Mercury is thicker than 10 m, so the majority of carbon on Mercury must be endogenous. Figure: Nanophase amorphous carbon map. In this map, fresh craters and their rays are distinguishable by the lower proportion of

  11. Estimating forest carbon dynamics in South Korea from 1954 to 2050 - coupling global forestry model and forest soil carbon model

    NASA Astrophysics Data System (ADS)

    Lee, Jongyeol; Kim, Moonil; Lakyda, Ivan; Pietsch, Stephan; Shvidenko, Anatoly; Kraxner, Florian; Forsell, Nicklas; Son, Yowhan

    2016-04-01

    There have been demands on reporting national forest carbon (C) inventories to mitigate global climate change. Global forestry models estimate growth of stem volume and C at various spatial and temporal scales but they do not consider dead organic matter (DOM) C. In this study, we simulated national forest C dynamics in South Korea with a calibrated global forestry model (G4M model) and a module of DOM C dynamics in Korean forest C model (FBDC model). 3890 simulation units (1-16 km2) were established in entire South Korea. Growth functions of stem for major tree species (Pinus densiflora, P. rigida, Larix kaempferi, Quercus variabilis, Q. mongolica, and Q. acutissima) were estimated by internal mechanism of G4M model and Korean yield tables. C dynamics in DOMs were determined by balance between input and output (decomposition) of DOMs in the FBDC model. Annual input of DOM was estimated by multiplying C stock of biomass compartment with turnover rate. Decomposition of DOM was estimated by C stock of DOM, mean air temperature, and decay rate. C stock in each C pool was initialized by spin-up process with consideration of severe deforestation by Japanese exploitation and Korean War. No disturbance was included in the simulation process. Total forest C stock (Tg C) and mean C density (Mg C ha-1) decreased from 657.9 and 112.1 in 1954 to 607.2 and 103.4 in 1973. Especially, C stock in mineral soil decreased at a rate of 0.5 Mg C ha-1 yr-1 during the period due to suppression of regeneration. However, total forest C stock (Tg C) and mean C density (Mg C ha-1) gradually increased from 607.0 and 103.4 in 1974 to 1240.7 and 211.3 in 2015 due to the national reforestation program since 1973. After the reforestation program, Korean forests became C sinks. Model estimates were also verified by comparison of these estimates and national forest inventory data (2006-2010). High similarity between the model estimates and the inventory data showed a reliability of down

  12. PALADYN, a comprehensive land surface-vegetation-carbon cycle model of intermediate complexity

    NASA Astrophysics Data System (ADS)

    Willeit, Matteo; Ganopolski, Andrey

    2016-04-01

    PALADYN is presented, a new comprehensive and computationally efficient land surface-vegetation-carbon cycle model designed to be used in Earth system models of intermediate complexity for long-term simulations and paleoclimate studies. The model treats in a consistent manner the interaction between atmosphere, terrestrial vegetation and soil through the fluxes of energy, water and carbon. Energy, water and carbon are conserved. The model explicitly treats permafrost, both in physical processes and as important carbon pool. The model distinguishes 9 surface types of which 5 are different vegetation types, bare soil, land ice, lake and ocean shelf. Including the ocean shelf allows to treat continuous changes in sea level and shelf area associated with glacial cycles. Over each surface type the model solves the surface energy balance and computes the fluxes of sensible, latent and ground heat and upward shortwave and longwave radiation. It includes a single snow layer. The soil model distinguishes between three different macro surface types which have their own soil column: vegetation and bare soil, ice sheet and ocean shelf. The soil is vertically discretized into 5 layers where prognostic equations for temperature, water and carbon are consistently solved. Phase changes of water in the soil are explicitly considered. A surface hydrology module computes precipitation interception by vegetation, surface runoff and soil infiltration. The soil water equation is based on Darcy's law. Given soil water content, the wetland fraction is computed based on a topographic index. Photosynthesis is computed using a light use efficiency model. Carbon assimilation by vegetation is coupled to the transpiration of water through stomatal conductance. The model includes a dynamic vegetation module with 5 plant functional types competing for the gridcell share with their respective net primary productivity. Each macro surface type has its own carbon pools represented by a litter, a fast

  13. Modeling adsorbate-induced property changes of carbon nanotubes.

    PubMed

    Groß, Lynn; Bahlke, Marc Philipp; Steenbock, Torben; Klinke, Christian; Herrmann, Carmen

    2017-05-05

    Because of their potential for chemical functionalization, carbon nanotubes (CNTs) are promising candidates for the development of devices such as nanoscale sensors or transistors with novel gating mechanisms. However, the mechanisms underlying the property changes due to functionalization of CNTs still remain subject to debate. Our goal is to reliably model one possible mechanism for such chemical gating: adsorption directly on the nanotubes. Within a Kohn-Sham density functional theory framework, such systems would ideally be described using periodic boundary conditions. Truncating the tube and saturating the edges in practice often offers a broader selection of approximate exchange-correlation functionals and analysis methods. By comparing the two approaches systematically for NH3 and NO2 adsorbates on semiconducting and metallic CNTs, we find that while structural properties are less sensitive to the details of the model, local properties of the adsorbate may be as sensitive to truncation as they are to the choice of exchange-correlation functional, and are similarly challenging to compute as adsorption energies. This suggests that these adsorbate effects are nonlocal. © 2017 Wiley Periodicals, Inc.

  14. Modeling forest carbon and nitrogen cycles based on long term carbon stock field measurement in the Delaware River Basin

    NASA Astrophysics Data System (ADS)

    Xu, B.; Pan, Y.; McCullough, K.; Plante, A. F.; Birdsey, R.

    2015-12-01

    Process-based models are a powerful approach to test our understanding of biogeochemical processes, to extrapolate ground survey data from limited plots to the landscape scale and to simulate the effects of climate change, nitrogen deposition, elevated atmospheric CO2, increasing natural disturbances and land use change on ecological processes. However, in most studies, the models are calibrated using ground measurements from only a few sites, though they may be extrapolated to much larger areas. Estimation accuracy can be improved if the models are parameterized using long-term carbon stock data from multiple sites representative of the simulated region. In this study, vegetation biomass and soil carbon stocks, and changes in these stocks over a recent decade, were measured in 61 forested plots located in three small watersheds in the Delaware River Basin (DRB). On average, total vegetation biomass was 160.2 Mg C ha-1 and the soil carbon stock was 76.6 Mg C ha-1, measured during 2012-2014. The biomass carbon stock increased by 2.45 Mg C ha-1 yr-1 from 2001-2003 to 2012-2014. This dataset was subsequently used to parameterize the PnET-CN model at the individual plot basis, and averaged parameters among plots were then applied to generate new watershed-scale model parameters for each of the three watersheds. The parameterized model was further validated by the field measurements in each of the major forest types. The spatial distribution of forest carbon pools and fluxes in three watersheds were mapped based on the simulation results from the newly parameterized PnET-CN model. The model will also be run under different scenarios to test the effects of climate change, altered atmospheric composition, land use change, and their interactions within the three watersheds and across the whole DRB.

  15. Modeling Pacific Northwest carbon and water cycling using CARAIB Dynamic Vegetation Model

    NASA Astrophysics Data System (ADS)

    Dury, M.; Kim, J. B.; Still, C. J.; Francois, L. M.; Jiang, Y.

    2015-12-01

    While uncertainties remain regarding projected temperature and precipitation changes, climate warming is already affecting ecosystems in the Pacific Northwest (PNW). Decrease in ecosystem productivity as well as increase in mortality of some plant species induced by drought and disturbance have been reported. Here, we applied the process-based dynamic vegetation model CARAIB to PNW to simulate the response of water and carbon cycling to current and future climate change projections. The vegetation model has already been successfully applied to Europe to simulate plant physiological response to climate change. We calibrated CARAIB to PNW using global Plant Functional Types. For calibration, the model is driven with the gridded surface meteorological dataset UIdaho MACA METDATA with 1/24-degree (~4-km) resolution at a daily time step for the period 1979-2014. The model ability to reproduce the current spatial and temporal variations of carbon stocks and fluxes was evaluated using a variety of available datasets, including eddy covariance and satellite observations. We focused particularly on past severe drought and fire episodes. Then, we simulated future conditions using the UIdaho MACAv2-METDATA dataset, which includes downscaled CMIP5 projections from 28 GCMs for RCP4.5 and RCP8.5. We evaluated the future ecosystem carbon balance resulting from changes in drought frequency as well as in fire risk. We also simulated future productivity and drought-induced mortality of several key PNW tree species.

  16. Uncertainties in Carbon Dioxide Radiative Forcing in Atmospheric General Circulation Models

    NASA Technical Reports Server (NTRS)

    Cess, R. D.; Zhang, M.-H.; Potter, G. L.; Gates, W. L.; Taylor, K. E.; Barker, H. W.; Colman, R. A.; Fraser, J. R.; McAvaney, B. J.; Dazlich, D. A.; Randall, D. A.; DelGenio, A. D.; Lacis, A. A.; Esch, M.; Roeckner, E.; Galin, V.; Hack, J. J.; Kiehl, J. T.; Ingram, W. J.; LeTreut, H.

    1993-01-01

    Global warming, caused by an increase in the concentrations of greenhouse gases, is the direct result of greenhouse gas-induced radiative forcing. When a doubling of atmospheric carbon dioxide is considered, this forcing differed substantially among 15 atmospheric general circulation models. Although there are several potential causes, the largest contributor was the carbon dioxide radiation parameterizations of the models.

  17. Predicting carbon dynamics in integrated production systems in Brazil using the CQESTR model

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Process-based carbon models are research tools to predict management impact on soil organic carbon (SOC) and options to increase SOC stocks and reduce CO2. The CQESTR model was used to examine the effect of soil management practices, including integrated crop-livestock system (iCLS), and various sc...

  18. Controls on terrestrial carbon feedbacks by productivity versus turnover in the CMIP5 Earth System Models

    DOE PAGES

    Koven, C. D.; Chambers, J. Q.; Georgiou, K.; ...

    2015-09-07

    To better understand sources of uncertainty in projections of terrestrial carbon cycle feedbacks, we present an approach to separate the controls on modeled carbon changes. We separate carbon changes into four categories using a linearized, equilibrium approach: those arising from changed inputs (productivity-driven changes), and outputs (turnover-driven changes), of both the live and dead carbon pools. Using Coupled Model Intercomparison Project Phase 5 (CMIP5) simulations for five models, we find that changes to the live pools are primarily explained by productivity-driven changes, with only one model showing large compensating changes to live carbon turnover times. For dead carbon pools, themore » situation is more complex as all models predict a large reduction in turnover times in response to increases in productivity. This response arises from the common representation of a broad spectrum of decomposition turnover times via a multi-pool approach, in which flux-weighted turnover times are faster than mass-weighted turnover times. This leads to a shift in the distribution of carbon among dead pools in response to changes in inputs, and therefore a transient but long-lived reduction in turnover times. Since this behavior, a reduction in inferred turnover times resulting from an increase in inputs, is superficially similar to priming processes, but occurring without the mechanisms responsible for priming, we call the phenomenon "false priming", and show that it masks much of the intrinsic changes to dead carbon turnover times as a result of changing climate. These patterns hold across the fully coupled, biogeochemically coupled, and radiatively coupled 1 % yr−1 increasing CO2 experiments. We disaggregate inter-model uncertainty in the globally integrated equilibrium carbon responses to initial turnover times, initial productivity, fractional changes in turnover, and fractional changes in productivity. For both the live and dead carbon pools, inter-model

  19. Modelling trends in soil organic carbon under Mediterranean and Alpine forests using the Century model.

    NASA Astrophysics Data System (ADS)

    Chiti, T.; Smith, P.; Dalmonech, D.; Yeluripati, J.; Papale, D.; Valentini, R.

    2009-04-01

    In this work, seven Italian eddy covariance flux sites (Mediterranean and Alpine forests) were used to test the performance of the Century 4.5 model in predicting the dynamics of soil organic carbon (SOC) during the first (2008-2012) and the second (2012-2016) commitment periods of the Kyoto Protocol, and further (2100). As the eddy covariance flux sites have been active for 10 years on average (from 1996-1998), the model was evaluated by comparing the modelled SOC values with those measured at each site. In addition, the model was evaluated by comparing estimates of heterotrophic respiration, that were available for each site, with those provided by the model. Since were not available long term observed values for soil carbon, the short term validation of heterotrophic respiration will give confidence on long term model simulations. Once evaluated, two climate change scenarios (based on the emission scenarios) were examined: A1FI (‘‘world markets-fossil fuel intensive'') and B2 (‘‘local sustainability''). In general the model fitted very well with the data measured at each site, providing values that were within the standard error of the measurements. The amount of SOC estimated for the two forthcoming commitment periods was not so different from the actual amount measured in 2008, highlighting the difficulty, given the closeness in time to the present of the commitment periods, of detecting carbon changes by direct measurements. Differences in the total amount of SOC from the actual stock were observed only for a longer observation period (2100). In conclusion, this work shows that models can be effective tools for estimating future changes in SOC amounts as an alternative to direct measurements when short period of time are considered.

  20. Evaluating the Carbon Cycle of a Coupled Atmosphere-Biosphere Model

    SciTech Connect

    Delire, C; Foley, J A; Thompson, S

    2002-08-21

    We investigate how well a coupled biosphere-atmosphere model, CCM3-IBIS, can simulate the functioning of the terrestrial biosphere and the carbon cycling through it. The simulated climate is compared to observations, while the vegetation cover and the carbon cycle are compared to an offline version of the biosphere model IBIS forced with observed climatic variables. The simulated climate presents some local biases that strongly affect the vegetation (e.g., a misrepresentation of the African monsoon). Compared to the offline model, the coupled model simulates well the globally averaged carbon fluxes and vegetation pools. The zonal mean carbon fluxes and the zonal mean seasonal cycle are also well represented except between 0{sup o} and 20{sup o}N due to the misrepresentation of the African monsoon. These results suggest that, despite regional biases in climate and ecosystem simulations, this coupled atmosphere-biosphere model can be used to explore geographic and temporal variations in the global carbon cycle.

  1. Model Sensitivity Studies of the Decrease in Atmospheric Carbon Tetrachloride

    NASA Technical Reports Server (NTRS)

    Chipperfield, Martyn P.; Liang, Qing; Rigby, Matt; Hossaini, Ryan; Montzka, Stephen A.; Dhomse, Sandip; Feng, Wuhu; Prinn, Ronald G.; Weiss, Ray F.; Harth, Christina M.; Salameh, Peter K.; Muehle, Jens; O’Doherty, Simon; Young, Dickon; Simmonds, Peter G.; Krummel, Paul B.; Fraser, Paul J.; Steele, L. Paul; Happell, James D.; Rhew, Robert C.; Butler, James; Yvon-Lewis, Shari A.; Hall, Bradley; Nance, David; Moore, Fred; Miller, Ben R.; Elkins, James W.; Harrison, Jeremy J.; Boone, Chris D.; Atlas, Elliot L.; Mahieu, Emmanuel

    2016-01-01

    Carbon tetrachloride (CCl4) is an ozone-depleting substance, which is controlled by the Montreal Protocol and for which the atmospheric abundance is decreasing. However, the current observed rate of this decrease is known to be slower than expected based on reported CCl4 emissions and its estimated overall atmospheric lifetime. Here we use a three-dimensional (3-D) chemical transport model to investigate the impact on its predicted decay of uncertainties in the rates at which CCl4 is removed from the atmosphere by photolysis, by ocean uptake and by degradation in soils. The largest sink is atmospheric photolysis (74% of total), but a reported 10% uncertainty in its combined photolysis cross section and quantum yield has only a modest impact on the modelled rate of CCl4 decay. This is partly due to the limiting effect of the rate of transport of CCl4 from the main tropospheric reservoir to the stratosphere, where photolytic loss occurs. The model suggests large interannual variability in the magnitude of this stratospheric photolysis sink caused by variations in transport. The impact of uncertainty in the minor soil sink (9%of total) is also relatively small. In contrast, the model shows that uncertainty in ocean loss (17%of total) has the largest impact on modelled CCl4 decay due to its sizeable contribution to CCl4 loss and large lifetime uncertainty range (147 to 241 years). With an assumed CCl4 emission rate of 39 Gg year(exp -1), the reference simulation with the best estimate of loss processes still underestimates the observed CCl4 (overestimates the decay) over the past 2 decades but to a smaller extent than previous studies. Changes to the rate of CCl4 loss processes, in line with known uncertainties, could bring the model into agreement with in situ surface and remote-sensing measurements, as could an increase in emissions to around 47 Gg year(exp -1). Further progress in constraining the CCl4 budget is partly limited by systematic biases between

  2. Model sensitivity studies of the decrease in atmospheric carbon tetrachloride

    NASA Astrophysics Data System (ADS)

    Chipperfield, Martyn P.; Liang, Qing; Rigby, Matthew; Hossaini, Ryan; Montzka, Stephen A.; Dhomse, Sandip; Feng, Wuhu; Prinn, Ronald G.; Weiss, Ray F.; Harth, Christina M.; Salameh, Peter K.; Mühle, Jens; O'Doherty, Simon; Young, Dickon; Simmonds, Peter G.; Krummel, Paul B.; Fraser, Paul J.; Steele, L. Paul; Happell, James D.; Rhew, Robert C.; Butler, James; Yvon-Lewis, Shari A.; Hall, Bradley; Nance, David; Moore, Fred; Miller, Ben R.; Elkins, James W.; Harrison, Jeremy J.; Boone, Chris D.; Atlas, Elliot L.; Mahieu, Emmanuel

    2016-12-01

    Carbon tetrachloride (CCl4) is an ozone-depleting substance, which is controlled by the Montreal Protocol and for which the atmospheric abundance is decreasing. However, the current observed rate of this decrease is known to be slower than expected based on reported CCl4 emissions and its estimated overall atmospheric lifetime. Here we use a three-dimensional (3-D) chemical transport model to investigate the impact on its predicted decay of uncertainties in the rates at which CCl4 is removed from the atmosphere by photolysis, by ocean uptake and by degradation in soils. The largest sink is atmospheric photolysis (74 % of total), but a reported 10 % uncertainty in its combined photolysis cross section and quantum yield has only a modest impact on the modelled rate of CCl4 decay. This is partly due to the limiting effect of the rate of transport of CCl4 from the main tropospheric reservoir to the stratosphere, where photolytic loss occurs. The model suggests large interannual variability in the magnitude of this stratospheric photolysis sink caused by variations in transport. The impact of uncertainty in the minor soil sink (9 % of total) is also relatively small. In contrast, the model shows that uncertainty in ocean loss (17 % of total) has the largest impact on modelled CCl4 decay due to its sizeable contribution to CCl4 loss and large lifetime uncertainty range (147 to 241 years). With an assumed CCl4 emission rate of 39 Gg year-1, the reference simulation with the best estimate of loss processes still underestimates the observed CCl4 (overestimates the decay) over the past 2 decades but to a smaller extent than previous studies. Changes to the rate of CCl4 loss processes, in line with known uncertainties, could bring the model into agreement with in situ surface and remote-sensing measurements, as could an increase in emissions to around 47 Gg year-1. Further progress in constraining the CCl4 budget is partly limited by systematic biases between observational

  3. Carbon Back Sputter Modeling for Hall Thruster Testing

    NASA Technical Reports Server (NTRS)

    Gilland, James H.; Williams, George J.; Burt, Jonathan M.; Yim, John Tamin

    2016-01-01

    Lifetime requirements for electric propulsion devices, including Hall Effect thrusters, are continually increasing, driven in part by NASA's inclusion of this technology in it's exploration architecture. NASA will demonstrate high-power electric propulsion system on the Solar Electric Propulsion Technology Demonstration Mission (SEP TDM). The Asteroid Redirect Robotic mission is one candidate SEP TDM, which is projected to require tens of thousands of thruster life. As thruster life is increased, for example through the use of improved magnetic field designs, the relative influence of facility effects increases. One such effect is the sputtering and redeposition, or back sputter, of facility materials by the high energy thruster plumes. In support of wear testing for the Hall Effect Rocket with Magnetic Shielding (HERMeS) project, the back sputter from a Hall effect thruster plume has been modeled for the NASA Glenn Research Center's Vacuum Facility 5. The predicted wear at a near-worst case condition of 600 V, 12.5 kW was found to be on the order of 1 micron/kh in a fully carbon-lined chamber. A more detailed numerical Monte Carlo code was also modified to estimate back sputter for a detailed facility and pumping configuration. This code demonstrated similar back sputter rate distributions, but is not yet accurately modeling the magnitudes. The modeling has been benchmarked to recent HERMeS wear testing, using multiple microbalance measurements. These recent measurements have yielded values on the order of 1.5 - 2 micron/kh at 600 V and 12.5 kW.

  4. [Modeling of carbon dioxide measurement and optimization on building ceramic industry].

    PubMed

    Peng, Jun-Xi; Zhao, Yu-Bo; Jiao, Li-Hua; Zeng, Lu; Zheng, Wei-Min

    2012-02-01

    Input-output model and low carbon programming model on building ceramic industry were established. Carbon dioxide emissions of key steps and carbon footprint of products were calculated and predicted using the input-output model. While products planning was optimized using the low carbon programming model. The results showed that CO2 emission in the enterprise reached 182 543.9 t a year and CO2 emission per unit product was 10% more than advanced level in the world. 80% of the total CO2 was emitted during the processes of firing and drying. As a result, we should focus on these two steps in order to reduce carbon dioxide emission of building ceramic industry. Carbon footprint of blank tile, polished tile, and glazed tile were 150.2 t, 168.0 t, 159.6 t respectively. Optimized by the low carbon model, The ceramic enterprise could reduce carbon dioxide emission by 5.4% while not sacrificing any profit, and also could obtain profit 5.6% higher than before while unrise the carbon dioxide emission.

  5. Process-Response Numerical Modeling in Carbonate Systems - Current Status and Importance (Invited)

    NASA Astrophysics Data System (ADS)

    Sarg, J.; Jenkins, C. J.; Burgess, P. M.; Budd, D. A.; Rankey, E. C.; Demicco, R. V.

    2009-12-01

    Developing predictive models of carbonate systems has important implications for monitoring and managing global climate change affecting societies around the world. Carbonate sediments and rocks form an important part of the global carbon cycle. More than 80% of Earth’s carbon is locked up in carbonate rocks, and is the primary ultimate sink for CO2 introduced into the atmosphere. Reefs and carbonate platforms, in general, are sensitive climatic indicators, and contain important records of past climate change. Ancient carbonate platforms and systems play a significant role in the global economy. They are the raw material for construction, and through their high permeability’s and porosities, carbonate rocks serve as important fresh water aquifers and petroleum reservoirs. They host more than half of the world’s petroleum. The systems that produce carbonate sediments have multiple interacting biologic, chemical, and hydrodynamic elements. Carbonate sediments are originally and predominantly derived from biological mineralization directly from seawater. Waves, tides, and marine currents can redistribute these sediments landward into lagoons or tidal flats, send them seaward into the deep or sea, or trap them within the hydraulic regime in which they originated. The characteristics of carbonate sediments are thus sensitive to environmental parameters like light, bathymetry, temperature, salinity, turbidity, nutrient and oxygen levels, hydrodynamics, and mineral saturation states. Localized buildups of carbonate sediments can alter the local hydraulic regime and change the nature of surrounding sediments. The prospect of modeling carbonates in detail has been daunting. Existing carbonate models are a class of rule-based ‘simulations’ with limited predictive qualities. The earliest computer models of carbonate deposition were 1-D and 2-D, and essentially modeled carbonates as “in-place” accumulations of sediment. In most cases, sediment production in these

  6. Chemical analysis and molecular models for calcium-oxygen-carbon interactions in black carbon found in fertile Amazonian anthrosoils.

    PubMed

    Archanjo, Braulio S; Araujo, Joyce R; Silva, Alexander M; Capaz, Rodrigo B; Falcão, Newton P S; Jorio, Ado; Achete, Carlos A

    2014-07-01

    Carbon particles containing mineral matter promote soil fertility, helping it to overcome the rather unfavorable climate conditions of the humid tropics. Intriguing examples are the Amazonian Dark Earths, anthropogenic soils also known as "Terra Preta de Índio'' (TPI), in which chemical recalcitrance and stable carbon with millenary mean residence times have been observed. Recently, the presence of calcium and oxygen within TPI-carbon nanoparticles at the nano- and mesoscale ranges has been demonstrated. In this work, we combine density functional theory calculations, scanning transmission electron microscopy, energy dispersive X-ray spectroscopy, Fourier transformed infrared spectroscopy, and high resolution X-ray photoelectron spectroscopy of TPI-carbons to elucidate the chemical arrangements of calcium-oxygen-carbon groups at the molecular level in TPI. The molecular models are based on graphene oxide nanostructures in which calcium cations are strongly adsorbed at the oxide sites. The application of material science techniques to the field of soil science facilitates a new level of understanding, providing insights into the structure and functionality of recalcitrant carbon in soil and its implications for food production and climate change.

  7. Evaluation of approaches focused on modelling of organic carbon stocks using the RothC model

    NASA Astrophysics Data System (ADS)

    Koco, Štefan; Skalský, Rastislav; Makovníková, Jarmila; Tarasovičová, Zuzana; Barančíková, Gabriela

    2014-05-01

    The aim of current efforts in the European area is the protection of soil organic matter, which is included in all relevant documents related to the protection of soil. The use of modelling of organic carbon stocks for anticipated climate change, respectively for land management can significantly help in short and long-term forecasting of the state of soil organic matter. RothC model can be applied in the time period of several years to centuries and has been tested in long-term experiments within a large range of soil types and climatic conditions in Europe. For the initialization of the RothC model, knowledge about the carbon pool sizes is essential. Pool size characterization can be obtained from equilibrium model runs, but this approach is time consuming and tedious, especially for larger scale simulations. Due to this complexity we search for new possibilities how to simplify and accelerate this process. The paper presents a comparison of two approaches for SOC stocks modelling in the same area. The modelling has been carried out on the basis of unique input of land use, management and soil data for each simulation unit separately. We modeled 1617 simulation units of 1x1 km grid on the territory of agroclimatic region Žitný ostrov in the southwest of Slovakia. The first approach represents the creation of groups of simulation units based on the evaluation of results for simulation unit with similar input values. The groups were created after the testing and validation of modelling results for individual simulation units with results of modelling the average values of inputs for the whole group. Tests of equilibrium model for interval in the range 5 t.ha-1 from initial SOC stock showed minimal differences in results comparing with result for average value of whole interval. Management inputs data from plant residues and farmyard manure for modelling of carbon turnover were also the same for more simulation units. Combining these groups (intervals of initial

  8. Use of mechanistic carbon corrosion model to predict performance loss in Polymer Electrolyte Membrane fuel cells

    NASA Astrophysics Data System (ADS)

    Dhanushkodi, S. R.; Kundu, S.; Fowler, M. W.; Pritzker, M. D.

    2014-12-01

    A membrane electrode assembly is subjected to carbon corrosion accelerated stress tests (ASTs) involving the application of square-wave voltage cycles with different upper limits to measure the resulting loss in the mass of the carbon support at the cathode catalyst layer (CL) and the associated degradation in performance. Carbon loss is determined from the amount of CO2 evolved during degradation, while the performance loss is measured from the reduction in the cell voltage at 1.5 A cm-2 relative to the performance obtained in its beginning-of-life state. A kinetic model for carbon corrosion describing the rate of evolution of CO2 is shown to accurately predict the carbon loss measured during the various carbon corrosion ASTs in this study. A plot of the performance losses from the various carbon corrosion ASTs versus the corresponding carbon losses reveals that all the data demonstrate consistent degradation regardless of the AST conditions, and these result can be fitted with an exponential function termed the 'fingerprint' expression. By combining the carbon corrosion model and fingerprint expression, both the carbon loss and performance loss of a cathode CL during a carbon corrosion AST can be accurately predicted based only on knowledge of the waveform of the input voltage.

  9. Modeling Water and Carbon Budgets in Current and Future Agricultural Land Use

    NASA Astrophysics Data System (ADS)

    Drewniak, B.; Song, J.; Prell, J.; Kotamarthi, R.; Jacob, R.

    2008-12-01

    Biofuels are a key component of renewable energy mix proposed as a substitute to fossil fuels. Biofuels are suggested as both economical and having potential for reducing atmospheric emissions of carbon from the transportation sector, by building up soil carbon levels when planted on lands where these levels have been reduced by intensive tillage. The purpose of this research is to develop a carbon-nitrogen based crop module (CNC) for the community land model (CLM) and to improve the characterization of the below and above ground carbon sequestration for bioenergy crops. The CNC simulates planting, growing, maturing and harvesting stages for three major crops: maize, soybean and wheat. In addition, dynamic root module is implemented to simulate fine root distribution and development based on relative availability of soil water and nitrogen in the root zone. Coupled CLM-CNC models is used to study crop yields, geographic locations for bioenergy crop production and soil carbon changes. Bioenergy crop cultivation is based on current crop cultivation and future land use change dataset. Soil carbon change has been simulated based on carbon input to the soil from the leaf, stem and root, and carbon emission from soil carbon decomposition. Simulated water and carbon fluxes have been compared with field observations and soil carbon content has been examined under different harvest practices.

  10. Modeling carbon cycle dynamics and response to drought in semi-arid ecosystems

    NASA Astrophysics Data System (ADS)

    Hilton, T. W.; Fox, A. M.; Krofcheck, D. J.; Litvak, M. E.

    2012-12-01

    The southwestern United States is presently experiencing a multi-year drought. Though the carbon uptake per unit area of the semi-arid biomes in this region is smaller than that of more temperate biomes, these biomes cover roughly 40 percent of the world's land surface, and thus make a significant contribution to the global terrestrial biological carbon cycle. Here we test the ability of two land surface model structures to diagnose the carbon cycle dynamics of semi-arid landscapes during the ongoing extreme drought. We use the New Mexico Elevation Gradient (NMEG) as a testbed for these modeling experiments. The NMEG comprises eight eddy covariance towers observing ecosystems ranging from desert grassland ( 1600 m elevation) to alpine mixed coniferous forest ( 3000 m elevation). During the drought the ecosystems observed by these towers saw their annual net carbon uptake decline between 33 and 100 percent (50 to 150 gC m^{-2} year^{-1}), with two of the eight sites becoming net sources of carbon to the atmosphere and one transitioning from a net carbon sink to carbon-neutral. We parametrize a simple light-use efficiency (LUE)-based model (Vegetation Photosynthesis and Respiration Model, VPRM) and a complex model which simulates many land surface processes (Community Land Model, CLM). We explore the capacity of both models to diagnose the terrestrial carbon cycle in semi-arid biomes where water availability is highly episodic.

  11. New Coupled Model Used Inversely for Reconstructing Past Terrestrial Carbon Storage from Pollen Data: Validation of Model Using Modern Data

    NASA Astrophysics Data System (ADS)

    Wu, H.; Guiot, J.; Peng, C.; Guo, Z.

    2010-12-01

    The knowledge of potential impacts of climate change on terrestrial vegetation is crucial for understanding long-term global carbon cycles. Discrepancy in data has long existed between past carbon storage reconstructions since the Last Glacial Maximum by means of pollen, carbon isotope, and general circulation model (GCM) analysis. This may be due to the fact that these methods do not synthetically take into account significant differences in climate distribution between modern and past conditions as well as the effects of atmospheric CO2 concentration on vegetation. In this study, a new estimate of past biospheric carbon stocks is reported utilizing a new integrated ecosystem model (PCM) built on a physiological process vegetation model (BIOME4) coupled with a process-based biospheric carbon model (DEMETER). The PCM was constrained to fit pollen data to obtain realistic estimates. It was estimated that the probability distribution of climatic parameters, as simulated by BIOME4 in an inverse process, was compatible with pollen data while DEMETER successfully simulated the carbon storage values with the corresponding outputs of BIOME4. The carbon model was validated with observable global vegetation biomass and soil carbon, and the inversion scheme was tested against 1491 surface pollen spectra sample sites procured in Africa and Eurasia. Results show that this method can successfully simulate most biomes at selected pollen sites as well as demonstrate that the coefficient of determination (R) calculated between the observed and reconstructed modern climates vary from 0.83 to 0.97. Comparisons between the simulated biome-average terrestrial carbon variables with available observations also indicate a consensus: R variability of 0.96 for vegetation carbon density and 0.90 for soil carbon density. These results demonstrate the reliability and feasibility of this climate reconstruction method and its efficiency in reconstructing past terrestrial carbon storage.

  12. Characterization And Modeling Of Microbial Carbon Metabolism In Thawing Permafrost

    NASA Astrophysics Data System (ADS)

    Elias, D. A.; Phelps, T. J.; Thornton, P. E.; Graham, D. E.

    2011-12-01

    Increased temperatures in high latitude regions are warming the surface and subsurface, resulting in thawing permafrost. At issue is the potential for increased greenhouse gas (GHG) generation and emission, caused by microbial degradation of vast stores of buried organic carbon. Most global-scale land-surface models lack depth-dependent representations of carbon conversion and GHG transport; therefore they do not adequately describe permafrost thawing or microbial mineralization processes. The current work was performed to determine how permafrost thawing at moderately elevated temperatures and anoxic conditions would affect CO2 and CH4 generation and emission, while refining the resolution of the Community Land Model (CLM4) by parameterizing depth-dependent GHG production processes, with respect to temperature and pH. These enhancements will improve the accuracy of GHG emission predictions and identify key biochemical and geochemical processes for further refinement. Core samples were obtained from a discontinuous permafrost site in Fairbanks, AK with a mean annual temperature of -3.3oC. Each core was sectioned into surface/near surface (0-0.8 m), active layer (annual thawing/freezing, 0.8m-1.6m .), and permafrost (1.6-2.2 m). Core sections were pulverized and used for sediment characterization as well as microcosm construction. Sediment characterization included water content (20-60%), pH (5.5-6.6), total N (0.05-0.25%) and C (0.4-4.1%), and total organic carbon (0.4-3.6%). Surface layer microcosms were constructed aerobically while the active and permafrost layers were constructed anaerobically. The microcosms, 20 g sediment with 38 ml headspace had either in-situ water levels (n=6) or 15 ml sterile water added (n=2) to saturate, and then incubated at -2oC, +3oC, or +5oC for 6 months. At monthly intervals, CO2 and CH4 were quantified by GC. At 6 months, microcosm samples and original core material were analyzed via 454 16S rDNA pyrosequencing to identify changes

  13. Disentangling residence time and temperature sensitivity of microbial decomposition in a global soil carbon model

    NASA Astrophysics Data System (ADS)

    Exbrayat, J.-F.; Pitman, A. J.; Abramowitz, G.

    2014-12-01

    Recent studies have identified the first-order representation of microbial decomposition as a major source of uncertainty in simulations and projections of the terrestrial carbon balance. Here, we use a reduced complexity model representative of current state-of-the-art models of soil organic carbon decomposition. We undertake a systematic sensitivity analysis to disentangle the effect of the time-invariant baseline residence time (k) and the sensitivity of microbial decomposition to temperature (Q10) on soil carbon dynamics at regional and global scales. Our simulations produce a range in total soil carbon at equilibrium of ~ 592 to 2745 Pg C, which is similar to the ~ 561 to 2938 Pg C range in pre-industrial soil carbon in models used in the fifth phase of the Coupled Model Intercomparison Project (CMIP5). This range depends primarily on the value of k, although the impact of Q10 is not trivial at regional scales. As climate changes through the historical period, and into the future, k is primarily responsible for the magnitude of the response in soil carbon, whereas Q10 determines whether the soil remains a sink, or becomes a source in the future mostly by its effect on mid-latitude carbon balance. If we restrict our simulations to those simulating total soil carbon stocks consistent with observations of current stocks, the projected range in total soil carbon change is reduced by 42% for the historical simulations and 45% for the future projections. However, while this observation-based selection dismisses outliers, it does not increase confidence in the future sign of the soil carbon feedback. We conclude that despite this result, future estimates of soil carbon and how soil carbon responds to climate change should be more constrained by available data sets of carbon stocks.

  14. Multi-century Changes to Global Climate and Carbon Cycle: Results from a Coupled Climate and Carbon Cycle Model

    SciTech Connect

    Bala, G; Caldeira, K; Mirin, A; Wickett, M; Delire, C

    2005-02-17

    In this paper, we use a coupled climate and carbon cycle model to investigate the global climate and carbon cycle changes out to year 2300 that would occur if CO{sub 2} emissions from all the currently estimated fossil fuel resources were released to the atmosphere. By year 2300, the global climate warms by about 8 K and atmospheric CO{sub 2} reaches 1423 ppmv. The warming is higher than anticipated because the sensitivity to radiative forcing increases as the simulation progresses. In our simulation, the rate of emissions peak at over 30 PgC yr{sup -1} early in the 22nd century. Even at year 2300, nearly 50% of cumulative emissions remain in the atmosphere. In our simulations both soils and living biomass are net carbon sinks throughout the simulation. Despite having relatively low climate sensitivity and strong carbon uptake by the land biosphere, our model projections suggest severe long-term consequences for global climate if all the fossil-fuel carbon is ultimately released to the atmosphere.

  15. Carbon dioxide fluid-flow modeling and injectivity calculations

    USGS Publications Warehouse

    Burke, Lauri

    2011-01-01

    These results were used to classify subsurface formations into three permeability classifications for the probabilistic calculations of storage efficiency and containment risk of the U.S. Geological Survey geologic carbon sequestration assessment methodology. This methodology is currently in use to determine the total carbon dioxide containment capacity of the onshore and State waters areas of the United States.

  16. Parameterizing A Surface Water Model for Multiwalled Carbon Nanotubes

    EPA Science Inventory

    The unique electronic, mechanical, and structural properties of carbon nanotubes (CNTs) has lead to increasing production of these versatile materials; currently, the use of carbon-based nanomaterials in consumer products is second only to that of nano-scale silver. Although ther...

  17. Design of Higher Education Teaching Models and Carbon Impacts

    ERIC Educational Resources Information Center

    Caird, Sally; Lane, Andy; Swithenby, Ed; Roy, Robin; Potter, Stephen

    2015-01-01

    Purpose: This research aims to examine the main findings of the SusTEACH study of the carbon-based environmental impacts of 30 higher education (HE) courses in 15 UK institutions, based on an analysis of the likely energy consumption and carbon emissions of a range of face-to-face, distance, online and information and communication technology…

  18. A new biogeochemical model to simulate regional scale carbon emission from lakes, ponds and wetlands

    NASA Astrophysics Data System (ADS)

    Bayer, Tina; Brakebusch, Matthias; Gustafsson, Erik; Beer, Christian

    2016-04-01

    Small aquatic systems are receiving increasing attention for their role in global carbon cycling. For instance, lakes and ponds in permafrost are net emitters of carbon to the atmosphere, and their capacity to process and emit carbon is significant on a landscape scale, with a global flux of 8-103 Tg methane per year which amounts to 5%-30% of all natural methane emissions (Bastviken et al 2011). However, due to the spatial and temporal highly localised character of freshwater methane emissions, fluxes remain poorly qualified and are difficult to upscale based on field data alone. While many models exist to model carbon cycling in individual lakes and ponds, we perceived a lack of models that can work on a larger scale, over a range of latitudes, and simulate regional carbon emission from a large number of lakes, ponds and wetlands. Therefore our objective was to develop a model that can simulate carbon dioxide and methane emission from freshwaters on a regional scale. Our resulting model provides an additional tool to assess current aquatic carbon emissions as well as project future responses to changes in climatic drivers. To this effect, we have combined an existing large-scale hydrological model (the Variable Infiltration Capacity Macroscale Hydrologic Model (VIC), Liang & Lettenmaier 1994), an aquatic biogeochemical model (BALTSEM, Savchuk et al., 2012; Gustafsson et al., 2014) and developed a new methane module for lakes. The resulting new process-based biogeochemical model is designed to model aquatic carbon emission on a regional scale, and to perform well in high-latitude environments. Our model includes carbon, oxygen and nutrient cycling in lake water and sediments, primary production and methanogenesis. Results of calibration and validation of the model in two catchments (Torne-Kalix in Northern Sweden and of a large arctic river catchment) will be presented.

  19. Nitrogen feedbacks increase future terrestrial ecosystem carbon uptake in an individual-based dynamic vegetation model

    NASA Astrophysics Data System (ADS)

    Wårlind, D.; Smith, B.; Hickler, T.; Arneth, A.

    2014-11-01

    Recently a considerable amount of effort has been put into quantifying how interactions of the carbon and nitrogen cycle affect future terrestrial carbon sinks. Dynamic vegetation models, representing the nitrogen cycle with varying degree of complexity, have shown diverging constraints of nitrogen dynamics on future carbon sequestration. In this study, we use LPJ-GUESS, a dynamic vegetation model employing a detailed individual- and patch-based representation of vegetation dynamics, to evaluate how population dynamics and resource competition between plant functional types, combined with nitrogen dynamics, have influenced the terrestrial carbon storage in the past and to investigate how terrestrial carbon and nitrogen dynamics might change in the future (1850 to 2100; one representative "business-as-usual" climate scenario). Single-factor model experiments of CO2 fertilisation and climate change show generally similar directions of the responses of C-N interactions, compared to the C-only version of the model as documented in previous studies using other global models. Under an RCP 8.5 scenario, nitrogen limitation suppresses potential CO2 fertilisation, reducing the cumulative net ecosystem carbon uptake between 1850 and 2100 by 61%, and soil warming-induced increase in nitrogen mineralisation reduces terrestrial carbon loss by 31%. When environmental changes are considered conjointly, carbon sequestration is limited by nitrogen dynamics up to the present. However, during the 21st century, nitrogen dynamics induce a net increase in carbon sequestration, resulting in an overall larger carbon uptake of 17% over the full period. This contrasts with previous results with other global models that have shown an 8 to 37% decrease in carbon uptake relative to modern baseline conditions. Implications for the plausibility of earlier projections of future terrestrial C dynamics based on C-only models are discussed.

  20. Model for carbonate deposition in an Epicontinental Bay

    SciTech Connect

    Carney, C.; Smosna, R.

    1986-05-01

    By mapping the distribution of correlative sediments across the north-central region of the Appalachian basin, a paleogeographic model has been generated for part of the Mississippian period. During the Chesterian, the upper Greenbrier Limestone was deposited in an embayment that extended northward into parts of West Virginia, Ohio, Pennsylvanian, and Maryland. The bay, only a few hundred kilometers wide, was surrounded by lowlands to the west and north, and deltaic sediments shed from nearby highlands diluted the easternmost facies. In the bay, several different shallow-water carbonate environments are distinguished. Muddy skeletal sand was deposited in the central part, which was characterized by normal marine circulation and salinity. This open-bay facies supported a moderately diverse fauna of forams, brachiopods, and mollusks. From the central facies to the bay margins, water depth decreased, circulation became more restricted, and salinity was slightly higher. A restricted-bay facies developed closer to shore, with sediment consisting of pelletal mud and scattered skeletal grains. Diversity was lower, and the fauna was composed primarily of forams and ostracodes. A tidal mud flat surrounded the embayment on all three sides where partly to totally dolomitized mud containing cryptalgal structures formed. Oolite shoals, present on the eastern side of the bay near its mouth, mark areas where tidal currents were concentrated. Eventually, the epicontinental sea flooded the small enclosed bay, replacing the shallow-water facies with an open-marine facies. The new environment supported a highly diverse fauna including crinoids, brachiopods, mollusks, forams, and ostracods.

  1. Growth mechanism of carbon nanotubes: a nano Czochralski model

    PubMed Central

    2012-01-01

    Carbon nanotubes (CNTs) have been under intense investigations during the past two decades due to their unique physical and chemical properties; however, there is still no commonly accepted growth mechanism to describe the growth behavior of CNTs. Here, we propose a nano Czochralski (CZ) model which regards the catalytic growth of a CNT as a CZ process taking place on the nano scale. The main idea is that, during the CNT growth, each catalyst particle acts as a nano crucible to nucleate and maintain the CNT growth, and the extruding CNT rotates relative to the nano crucible, leading to a chirality-dependent growth rate. In this case, the structural quality gradually changes along the CNT due to the dynamic generation-reconstruction-diffusion of defects during the CNT growth. The nano CZ mechanism may also apply to the catalytic growth of many other one-dimensional (1D) nanostructures (including various nanotubes and nanowires), thus further efforts will be stimulated in the quality and property control, as well as application explorations of these 1D nanomaterials. PMID:22747835

  2. Geochemistry of dissolved inorganic carbon in a Coastal Plain aquifer. 2. Modeling carbon sources, sinks, and δ13C evolution

    USGS Publications Warehouse

    McMahon, Peter B.; Chapelle, Francis H.

    1991-01-01

    Stable isotope data for dissolved inorganic carbon (DIC), carbonate shell material and cements, and microbial CO2 were combined with organic and inorganic chemical data from aquifer and confining-bed pore waters to construct geochemical reaction models along a flowpath in the Black Creek aquifer of South Carolina. Carbon-isotope fractionation between DIC and precipitating cements was treated as a Rayleigh distillation process. Organic matter oxidation was coupled to microbial fermentation and sulfate reduction. All reaction models reproduced the observed chemical and isotopic compositions of final waters. However, model 1, in which all sources of carbon and electron-acceptors were assumed to be internal to the aquifer, was invalidated owing to the large ratio of fermentation CO2 to respiration CO2 predicted by the model (5–49) compared with measured ratios (two or less). In model 2, this ratio was reduced by assuming that confining beds adjacent to the aquifer act as sources of dissolved organic carbon and sulfate. This assumption was based on measured high concentrations of dissolved organic acids and sulfate in confining-bed pore waters (60–100 μM and 100–380 μM, respectively) relative to aquifer pore waters (from less than 30 μM and 2–80 μM, respectively). Sodium was chosen as the companion ion to organic-acid and sulfate transport from confining beds because it is the predominant cation in confining-bed pore waters. As a result, excessive amounts of Na-for-Ca ion exchange and calcite precipitation (three to four times more cement than observed in the aquifer) were required by model 2 to achieve mass and isotope balance of final water. For this reason, model 2 was invalidated. Agreement between model-predicted and measured amounts of carbonate cement and ratios of fermentation CO2 to respiration CO2 were obtained in a reaction model that assumed confining beds act as sources of DIC, as well as organic acids and sulfate. This assumption was

  3. Geochemistry of dissolved inorganic carbon in a Coastal Plain aquifer. 2. Modeling carbon sources, sinks, and δ13C evolution

    USGS Publications Warehouse

    McMahon, Peter B.; Chapelle, Francis H.

    1991-01-01

    Stable isotope data for dissolved inorganic carbon (DIC), carbonate shell material and cements, and microbial CO2 were combined with organic and inorganic chemical data from aquifer and confining-bed pore waters to construct geochemical reaction models along a flowpath in the Black Creek aquifer of South Carolina. Carbon-isotope fractionation between DIC and precipitating cements was treated as a Rayleigh distillation process. Organic matter oxidation was coupled to microbial fermentation and sulfate reduction. All reaction models reproduced the observed chemical and isotopic compositions of final waters. However, model 1, in which all sources of carbon and electron-acceptors were assumed to be internal to the aquifer, was invalidated owing to the large ratio of fermentation CO2 to respiration CO2 predicted by the model (5–49) compared with measured ratios (two or less). In model 2, this ratio was reduced by assuming that confining beds adjacent to the aquifer act as sources of dissolved organic carbon and sulfate. This assumption was based on measured high concentrations of dissolved organic acids and sulfate in confining-bed pore waters (60–100 μM and 100–380 μM, respectively) relative to aquifer pore waters (from less than 30 μM and 2–80 μM, respectively). Sodium was chosen as the companion ion to organic-acid and sulfate transport from confining beds because it is the predominant cation in confining-bed pore waters. As a result, excessive amounts of Na-for-Ca ion exchange and calcite precipitation (three to four times more cement than observed in the aquifer) were required by model 2 to achieve mass and isotope balance of final water. For this reason, model 2 was invalidated. Agreement between model-predicted and measured amounts of carbonate cement and ratios of fermentation CO2 to respiration CO2 were obtained in a reaction model that assumed confining beds act as sources of DIC, as well as organic acids and sulfate. This assumption was supported

  4. Evaluation of coral reef carbonate production models at a global scale

    NASA Astrophysics Data System (ADS)

    Jones, N. S.; Ridgwell, A.; Hendy, E. J.

    2014-09-01

    Calcification by coral reef communities is estimated to account for half of all carbonate produced in shallow water environments and more than 25% of the total carbonate buried in marine sediments globally. Production of calcium carbonate by coral reefs is therefore an important component of the global carbon cycle. It is also threatened by future global warming and other global change pressures. Numerical models of reefal carbonate production are essential for understanding how carbonate deposition responds to environmental conditions including future atmospheric CO2 concentrations, but these models must first be evaluated in terms of their skill in recreating present day calcification rates. Here we evaluate four published model descriptions of reef carbonate production in terms of their predictive power, at both local and global scales, by comparing carbonate budget outputs with independent estimates. We also compile available global data on reef calcification to produce an observation-based dataset for the model evaluation. The four calcification models are based on functions sensitive to combinations of light availability, aragonite saturation (Ωa) and temperature and were implemented within a specifically-developed global framework, the Global Reef Accretion Model (GRAM). None of the four models correlated with independent rate estimates of whole reef calcification. The temperature-only based approach was the only model output to significantly correlate with coral-calcification rate observations. The absence of any predictive power for whole reef systems, even when consistent at the scale of individual corals, points to the overriding importance of coral cover estimates in the calculations. Our work highlights the need for an ecosystem modeling approach, accounting for population dynamics in terms of mortality and recruitment and hence coral cover, in estimating global reef carbonate budgets. In addition, validation of reef carbonate budgets is severely

  5. Evaluation of coral reef carbonate production models at a global scale

    NASA Astrophysics Data System (ADS)

    Jones, N. S.; Ridgwell, A.; Hendy, E. J.

    2015-03-01

    Calcification by coral reef communities is estimated to account for half of all carbonate produced in shallow water environments and more than 25% of the total carbonate buried in marine sediments globally. Production of calcium carbonate by coral reefs is therefore an important component of the global carbon cycle; it is also threatened by future global warming and other global change pressures. Numerical models of reefal carbonate production are needed for understanding how carbonate deposition responds to environmental conditions including atmospheric CO2 concentrations in the past and into the future. However, before any projections can be made, the basic test is to establish model skill in recreating present-day calcification rates. Here we evaluate four published model descriptions of reef carbonate production in terms of their predictive power, at both local and global scales. We also compile available global data on reef calcification to produce an independent observation-based data set for the model evaluation of carbonate budget outputs. The four calcification models are based on functions sensitive to combinations of light availability, aragonite saturation (Ωa) and temperature and were implemented within a specifically developed global framework, the Global Reef Accretion Model (GRAM). No model was able to reproduce independent rate estimates of whole-reef calcification, and the output from the temperature-only based approach was the only model to significantly correlate with coral-calcification rate observations. The absence of any predictive power for whole reef systems, even when consistent at the scale of individual corals, points to the overriding importance of coral cover estimates in the calculations. Our work highlights the need for an ecosystem modelling approach, accounting for population dynamics in terms of mortality and recruitment and hence calcifier abundance, in estimating global reef carbonate budgets. In addition, validation of reef

  6. LOSCAR: Long-term Ocean-atmosphere-Sediment CArbon cycle Reservoir Model

    NASA Astrophysics Data System (ADS)

    Zeebe, R. E.

    2011-06-01

    The LOSCAR model is designed to efficiently compute the partitioning of carbon between ocean, atmosphere, and sediments on time scales ranging from centuries to millions of years. While a variety of computationally inexpensive carbon cycle models are already available, many are missing a critical sediment component, which is indispensable for long-term integrations. One of LOSCAR's strengths is the coupling of ocean-atmosphere routines to a computationally efficient sediment module. This allows, for instance, adequate computation of CaCO3 dissolution, calcite compensation, and long-term carbon cycle fluxes, including weathering of carbonate and silicate rocks. The ocean component includes various biogeochemical tracers such as total carbon, alkalinity, phosphate, oxygen, and stable carbon isotopes. We have previously published applications of the model tackling future projections of ocean chemistry and weathering, pCO2 sensitivity to carbon cycle perturbations throughout the Cenozoic, and carbon/calcium cycling during the Paleocene-Eocene Thermal Maximum. The focus of the present contribution is the detailed description of the model including numerical architecture, processes and parameterizations, tuning, and examples of input and output. Typical CPU integration times of LOSCAR are of order seconds for several thousand model years on current standard desktop machines. The LOSCAR source code in C can be obtained from the author by sending a request to loscar.model@gmail.com.

  7. [Decomposition model of energy-related carbon emissions in tertiary industry for China].

    PubMed

    Lu, Yuan-Qing; Shi, Jun

    2012-07-01

    Tertiary industry has been developed in recent years. And it is very important to find the factors influenced the energy-related carbon emissions in tertiary industry. A decomposition model of energy-related carbon emissions for China is set up by adopting logarithmic mean weight Divisia method based on the identity of carbon emissions. The model is adopted to analyze the influence of energy structure, energy efficiency, tertiary industry structure and economic output to energy-related carbon emissions in China from 2000 to 2009. Results show that the contribution rate of economic output and energy structure to energy-related carbon emissions increases year by year. Either is the contribution rate of energy efficiency or the tertiary industry restraining to energy-related carbon emissions. However, the restrain effect is weakening.

  8. Nitrogen feedbacks increase future terrestrial ecosystem carbon uptake in an individual-based dynamic vegetation model

    NASA Astrophysics Data System (ADS)

    Wårlind, D.; Smith, B.; Hickler, T.; Arneth, A.

    2014-01-01

    Recently a considerable amount of effort has been put into quantifying how interactions of the carbon and nitrogen cycle affect future terrestrial carbon sinks. Dynamic vegetation models, representing the nitrogen cycle with varying degree of complexity, have shown diverging constraints of nitrogen dynamics on future carbon sequestration. In this study, we use the dynamic vegetation model LPJ-GUESS to evaluate how population dynamics and resource competition between plant functional types, combined with nitrogen dynamics, have influenced the terrestrial carbon storage in the past and to investigate how terrestrial carbon and nitrogen dynamics might change in the future (1850 to 2100; one exemplary "business-as-usual" climate scenario). Single factor model experiments of CO2 fertilisation and climate change show generally similar directions of the responses of C-N interactions, compared to the C-only version of the model, as documented in previous studies. Under a RCP 8.5 scenario, nitrogen limitation suppresses potential CO2 fertilisation, reducing the cumulative net ecosystem carbon uptake between 1850 and 2100 by 61%, and soil warming-induced increase in nitrogen mineralisation reduces terrestrial carbon loss by 31%. When environmental changes are considered conjointly, carbon sequestration is limited by nitrogen dynamics until present. However, during the 21st century nitrogen dynamics induce a net increase in carbon sequestration, resulting in an overall larger carbon uptake of 17% over the full period. This contradicts earlier model results that showed an 8 to 37% decrease in carbon uptake, questioning the often stated assumption that projections of future terrestrial C dynamics from C-only models are too optimistic.

  9. The biological carbon pump in the ocean: Reviewing model representations and its feedbacks on climate perturbations.

    NASA Astrophysics Data System (ADS)

    Hülse, Dominik; Arndt, Sandra; Ridgwell, Andy; Wilson, Jamie

    2016-04-01

    The ocean-sediment system, as the biggest carbon reservoir in the Earth's carbon cycle, plays a crucial role in regulating atmospheric carbon dioxide concentrations and climate. Therefore, it is essential to constrain the importance of marine carbon cycle feedbacks on global warming and ocean acidification. Arguably, the most important single component of the ocean's carbon cycle is the so-called "biological carbon pump". It transports carbon that is fixed in the light-flooded surface layer of the ocean to the deep ocean and the surface sediment, where it is degraded/dissolved or finally buried in the deep sediments. Over the past decade, progress has been made in understanding different factors that control the efficiency of the biological carbon pump and their feedbacks on the global carbon cycle and climate (i.e. ballasting = ocean acidification feedback; temperature dependant organic matter degradation = global warming feedback; organic matter sulphurisation = anoxia/euxinia feedback). Nevertheless, many uncertainties concerning the interplay of these processes and/or their relative significance remain. In addition, current Earth System Models tend to employ empirical and static parameterisations of the biological pump. As these parametric representations are derived from a limited set of present-day observations, their ability to represent carbon cycle feedbacks under changing climate conditions is limited. The aim of my research is to combine past carbon cycling information with a spatially resolved global biogeochemical model to constrain the functioning of the biological pump and to base its mathematical representation on a more mechanistic approach. Here, I will discuss important aspects that control the efficiency of the ocean's biological carbon pump, review how these processes of first order importance are mathematically represented in existing Earth system Models of Intermediate Complexity (EMIC) and distinguish different approaches to approximate

  10. Substrate and environmental controls on microbial assimilation of soil organic carbon: a framework for Earth system models.

    PubMed

    Xu, Xiaofeng; Schimel, Joshua P; Thornton, Peter E; Song, Xia; Yuan, Fengming; Goswami, Santonu

    2014-05-01

    A mechanistic understanding of microbial assimilation of soil organic carbon is important to improve Earth system models' ability to simulate carbon-climate feedbacks. A simple modelling framework was developed to investigate how substrate quality and environmental controls over microbial activity regulate microbial assimilation of soil organic carbon and on the size of the microbial biomass. Substrate quality has a positive effect on microbial assimilation of soil organic carbon: higher substrate quality leads to higher ratio of microbial carbon to soil organic carbon. Microbial biomass carbon peaks and then declines as cumulative activity increases. The simulated ratios of soil microbial biomass to soil organic carbon are reasonably consistent with a recently compiled global data set at the biome level. The modelling framework developed in this study offers a simple approach to incorporate microbial contributions to the carbon cycling into Earth system models to simulate carbon-climate feedbacks and explain global patterns of microbial biomass.

  11. Testing isotherm models and recovering empirical relationships for adsorption in microporous carbons using virtual carbon models and grand canonical Monte Carlo simulations

    NASA Astrophysics Data System (ADS)

    Terzyk, Artur P.; Furmaniak, Sylwester; Gauden, Piotr A.; Harris, Peter J. F.; Włoch, Jerzy

    2008-09-01

    Using the plausible model of activated carbon proposed by Harris and co-workers and grand canonical Monte Carlo simulations, we study the applicability of standard methods for describing adsorption data on microporous carbons widely used in adsorption science. Two carbon structures are studied, one with a small distribution of micropores in the range up to 1 nm, and the other with micropores covering a wide range of porosity. For both structures, adsorption isotherms of noble gases (from Ne to Xe), carbon tetrachloride and benzene are simulated. The data obtained are considered in terms of Dubinin-Radushkevich plots. Moreover, for benzene and carbon tetrachloride the temperature invariance of the characteristic curve is also studied. We show that using simulated data some empirical relationships obtained from experiment can be successfully recovered. Next we test the applicability of Dubinin's related models including the Dubinin-Izotova, Dubinin-Radushkevich-Stoeckli, and Jaroniec-Choma equations. The results obtained demonstrate the limits and applications of the models studied in the field of carbon porosity characterization.

  12. Model Effects on GLAS-Based Regional Estimates of Forest Biomass and Carbon

    NASA Technical Reports Server (NTRS)

    Nelson, Ross

    2008-01-01

    ICESat/GLAS waveform data are used to estimate biomass and carbon on a 1.27 million sq km study area. the Province of Quebec, Canada, below treeline. The same input data sets and sampling design are used in conjunction with four different predictive models to estimate total aboveground dry forest biomass and forest carbon. The four models include nonstratified and stratified versions of a multiple linear model where either biomass or (square root of) biomass serves as the dependent variable. The use of different models in Quebec introduces differences in Provincial biomass estimates of up to 0.35 Gt (range 4.942+/-0.28 Gt to 5.29+/-0.36 Gt). The results suggest that if different predictive models are used to estimate regional carbon stocks in different epochs, e.g., y2005, y2015, one might mistakenly infer an apparent aboveground carbon "change" of, in this case, 0.18 Gt, or approximately 7% of the aboveground carbon in Quebec, due solely to the use of different predictive models. These findings argue for model consistency in future, LiDAR-based carbon monitoring programs. Regional biomass estimates from the four GLAS models are compared to ground estimates derived from an extensive network of 16,814 ground plots located in southern Quebec. Stratified models proved to be more accurate and precise than either of the two nonstratified models tested.

  13. Process based modelling of soil organic carbon redistribution on landscape scale

    NASA Astrophysics Data System (ADS)

    Schindewolf, Marcus; Seher, Wiebke; Amorim, Amorim S. S.; Maeso, Daniel L.; Jürgen, Schmidt

    2014-05-01

    Recent studies have pointed out the great importance of erosion processes in global carbon cycling. Continuous erosion leads to a massive loss of top soils including the loss of organic carbon accumulated over long time in the soil humus fraction. Lal (2003) estimates that 20% of the organic carbon eroded with top soils is emitted into atmosphere, due to aggregate breakdown and carbon mineralization during transport by surface runoff. Furthermore soil erosion causes a progressive decrease of natural soil fertility, since cation exchange capacity is associated with organic colloids. As a consequence the ability of soils to accumulate organic carbon is reduced proportionately to the drop in soil productivity. The colluvial organic carbon might be protected from further degradation depending on the depth of the colluvial cover and local decomposing conditions. Some colluvial sites can act as long-term sinks for organic carbon. The erosional transport of organic carbon may have an effect on the global carbon budget, however, it is uncertain, whether erosion is a sink or a source for carbon in the atmosphere. Another part of eroded soils and organic carbon will enter surface water bodies and might be transported over long distances. These sediments might be deposited in the riparian zones of river networks. Erosional losses of organic carbon will not pass over into atmosphere for the most part. But soil erosion limits substantially the potential of soils to sequester atmospheric CO2 by generating humus. The present study refers to lateral carbon flux modelling on landscape scale using the process based EROSION 3D soil loss simulation model, using existing parameter values. The selective nature of soil erosion results in a preferentially transport of fine particles while less carbonic larger particles remain on site. Consequently organic carbon is enriched in the eroded sediment compared to the origin soil. For this reason it is essential that EROSION 3D provides the

  14. A Carbon Flux Super Site. New Insights and Innovative Atmosphere-Terrestrial Carbon Exchange Measurements and Modeling

    SciTech Connect

    Leclerc, Monique Y.

    2014-11-17

    This final report presents the main activities and results of the project “A Carbon Flux Super Site: New Insights and Innovative Atmosphere-Terrestrial Carbon Exchange Measurements and Modeling” from 10/1/2006 to 9/30/2014. It describes the new AmeriFlux tower site (Aiken) at Savanna River Site (SC) and instrumentation, long term eddy-covariance, sodar, microbarograph, soil and other measurements at the site, and intensive field campaigns of tracer experiment at the Carbon Flux Super Site, SC, in 2009 and at ARM-CF site, Lamont, OK, and experiments in Plains, GA. The main results on tracer experiment and modeling, on low-level jet characteristics and their impact on fluxes, on gravity waves and their influence on eddy fluxes, and other results are briefly described in the report.

  15. A model ensemble for explaining the seasonal cycle of globally averaged atmospheric carbon dioxide concentration

    NASA Astrophysics Data System (ADS)

    Alexandrov, Georgii; Eliseev, Alexey

    2015-04-01

    The seasonal cycle of the globally averaged atmospheric carbon dioxide concentrations results from the seasonal changes in the gas exchange between the atmosphere and other carbon pools. Terrestrial pools are the most important. Boreal and temperate ecosystems provide a sink for carbon dioxide only during the warm period of the year, and, therefore, the summertime reduction in the atmospheric carbon dioxide concentration is usually explained by the seasonal changes in the magnitude of terrestrial carbon sink. Although this explanation seems almost obvious, it is surprisingly difficult to support it by calculations of the seasonal changes in the strength of the sink provided by boreal and temperate ecosystems. The traditional conceptual framework for modelling net ecosystem exchange (NEE) leads to the estimates of the NEE seasonal cycle amplitude which are too low for explaining the amplitude of the seasonal cycle of the atmospheric carbon dioxide concentration. To propose a more suitable conceptual framework we develop a model ensemble that consists of nine structurally different models and covers various approaches to modelling gross primary production and heterotrophic respiration, including the effects of light saturation, limited light use efficiency, limited water use efficiency, substrate limitation and microbiological priming. The use of model ensembles is a well recognized methodology for evaluating structural uncertainty of model-based predictions. In this study we use this methodology for exploratory modelling analysis - that is, to identify the mechanisms that cause the observed amplitude of the seasonal cycle of the atmospheric carbon dioxide concentration and its slow but steady growth.

  16. Oxidation of Carbon Fibers in a Cracked Ceramic Matrix Composite Modeled as a Function of Temperature

    NASA Technical Reports Server (NTRS)

    Halbig, Michael C.; Cawley, James D.; Eckel, Andrew J.

    2003-01-01

    The oxidation model simulates the oxidation of the reinforcing carbon fibers within a ceramic matrix composite material containing as-fabricated microcracks. The physics-based oxidation model uses theoretically and experimentally determined variables as input for the model. The model simulates the ingress of oxygen through microcracks into a two-dimensional plane within the composite material. Model input includes temperature, oxygen concentration, the reaction rate constant, the diffusion coefficient, and the crack opening width as a function of the mechanical and thermal loads. The model is run in an iterative process for a two-dimensional grid system in which oxygen diffuses through the porous and cracked regions of the material and reacts with carbon in short time steps. The model allows the local oxygen concentrations and carbon volumes from the edge to the interior of the composite to be determined over time. Oxidation damage predicted by the model was compared with that observed from microstructural analysis of experimentally tested composite material to validate the model for two temperatures of interest. When the model is run for low-temperature conditions, the kinetics are reaction controlled. Carbon and oxygen reactions occur relatively slowly. Therefore, oxygen can bypass the carbon near the outer edge and diffuse into the interior so that it saturates the entire composite at relatively high concentrations. The kinetics are limited by the reaction rate between carbon and oxygen. This results in an interior that has high local concentrations of oxygen and a similar amount of consumed carbon throughout the cross section. When the model is run for high-temperature conditions, the kinetics are diffusion controlled. Carbon and oxygen reactions occur very quickly. The carbon consumes oxygen as soon as it is supplied. The kinetics are limited by the relatively slow rate at which oxygen is supplied in comparison to the relatively fast rate at which carbon and

  17. Ecosystem carbon storage capacity as affected by disturbance regimes: A general theoretical model

    SciTech Connect

    Weng, Ensheng; Luo, Yiqi; Wang, Weile; Wang, Han; Hayes, Daniel J; McGuire, A. David; Hastings, Alan; Schimel, David

    2012-01-01

    Disturbances have been recognized as a key factor shaping terrestrial ecosystem states and dynamics. A general model that quantitatively describes the relationship between carbon storage and disturbance regime is critical for better understanding large scale terrestrial ecosystem carbon dynamics. We developed a model (REGIME) to quantify ecosystem carbon storage capacities (E[x]) under varying disturbance regimes with an analytical solution E[x] = U {center_dot} {tau}{sub E} {center_dot} {lambda}{lambda} + s {tau} 1, where U is ecosystem carbon influx, {tau}{sub E} is ecosystem carbon residence time, and {tau}{sub 1} is the residence time of the carbon pool affected by disturbances (biomass pool in this study). The disturbance regime is characterized by the mean disturbance interval ({lambda}) and the mean disturbance severity (s). It is a Michaelis-Menten-type equation illustrating the saturation of carbon content with mean disturbance interval. This model analytically integrates the deterministic ecosystem carbon processes with stochastic disturbance events to reveal a general pattern of terrestrial carbon dynamics at large scales. The model allows us to get a sense of the sensitivity of ecosystems to future environmental changes just by a few calculations. According to the REGIME model, for example, approximately 1.8 Pg C will be lost in the high-latitude regions of North America (>45{sup o} N) if fire disturbance intensity increases around 5.7 time the current intensity to the end of the twenty-first century, which will require around 12% increases in net primary productivity (NPP) to maintain stable carbon stocks. If the residence time decreased 10% at the same time additional 12.5% increases in NPP are required to keep current C stocks. The REGIME model also lays the foundation for analytically modeling the interactions between deterministic biogeochemical processes and stochastic disturbance events.

  18. Modeling the Role of Bulk and Surface Characteristics of Carbon Fiber on Thermal Conductance across the Carbon-Fiber/Matrix Interface.

    PubMed

    Varshney, Vikas; Roy, Ajit K; Baur, Jeffery W

    2015-12-09

    The rapid heating of carbon-fiber-reinforced polymer matrix composites leads to complex thermophysical interactions which not only are dependent on the thermal properties of the constituents and microstructure but are also dependent on the thermal transport between the fiber and resin interfaces. Using atomistic molecular dynamics simulations, the thermal conductance across the interface between a carbon-fiber near-surface region and bismaleimide monomer matrix is calculated as a function of the interface and bulk features of the carbon fiber. The surface of the carbon fiber is modeled as sheets of graphitic carbon with (a) varying degrees of surface functionality, (b) varying defect concentrations in the surface-carbon model (pure graphitic vs partially graphitic), (c) varying orientation of graphitic carbon at the interface, (d) varying interface saturation (dangling vs saturated bonds), (e) varying degrees of surface roughness, and (f) incorporating high conductive fillers (carbon nanotubes) at the interface. After combining separately equilibrated matrix system and different surface-carbon models, thermal energy exchange is investigated in terms of interface thermal conductance across the carbon fiber and the matrix. It is observed that modifications in the studied parameters (a-f) often lead to significant modulation of thermal conductance across the interface and, thus, showcases the role of interface tailoring and surface-carbon morphology toward thermal energy exchange. More importantly, the results provide key bounds and a realistic degree of variation to the interface thermal conductance values at fiber/matrix interfaces as a function of different surface-carbon features.

  19. A coupled model for carbon and radiocarbon evolution during the last deglaciation

    NASA Astrophysics Data System (ADS)

    Mariotti, Véronique; Paillard, Didier; Bopp, Laurent; Roche, Didier M.; Bouttes, Nathaëlle

    2016-02-01

    Changes in the ventilation of the Southern Ocean are thought to play an important role on deglacial carbon and radiocarbon evolution but have not been tested within a coupled climate-carbon model. Here we present such a simulation based on a simple scenario of transient deglacial sinking of brines—sea ice salt rejections—around Antarctica, which modulates Southern Ocean ventilation. This experiment is able to reproduce deglacial atmospheric changes in carbon and radiocarbon and also ocean radiocarbon records measured in the Atlantic, Southern, and Pacific Oceans. Simulated for the first time in a fully coupled climate-carbon model of intermediate complexity including radiocarbon, our modeling results suggest that the deglacial changes in atmospheric carbon dioxide and radiocarbon were achieved by means of a breakdown in the glacial brine-induced stratification of the Southern Ocean.

  20. Modeling the effect of land use on carbon storage in the forests of the Pacific Northwest

    NASA Technical Reports Server (NTRS)

    Cohen, Warren B.; Wallin, David O.; Harmon, Mark E.; Sollins, Philip; Daly, Christopher; Ferrell, William K.

    1992-01-01

    There is concern as to how the balance of carbon in the terrestrial ecosystem will change in response to a variety of land use practices. A study is described in which a methodology is being developed to help narrow this uncertainty for the temperate forets of the Pacific Northwest region of the US. A carbon storage model is being developed to respond to forest harvesting, the dominant use of land in the region. By linking the carbon model to satellite imagery and a climate simulation model, the current amount of carbon stored in the forests of the Pacific northwest is estimated. The archive of Landsat multispectral scanner (MSS) images permits a 20-year historical perspective of land use changes in the region. With these data, the recent impact of regional land use in forest carbon stores is assessed.

  1. Comparing Different Model Structures for Carbon Allocation in the Community Land Model (CLM)

    NASA Astrophysics Data System (ADS)

    Montane, F.; Fox, A. M.; Arellano, A. F.; Scaven, V. L.; Alexander, M. R.; Moore, D. J.

    2015-12-01

    Quantifying the intensity of feedback mechanisms between terrestrial ecosystems and climate is a central challenge for understanding the global carbon cycle. Part of this challenge includes understanding how climate affects not only NPP, but also C allocation in different plant tissues (leaves, stem and roots) which determines the C residence time. For instance, C could be sequestered over longer time periods if changes in climate increase allocation to long-lived plant tissue (e.g. woody components) with respect to short-lived tissues (e.g. leaves). Networks of eddy covariance towers like AmeriFlux provide the infrastructure necessary to study relationships between ecosystem processes and climate forcing. We ran the Community Land Model (CLM) for six temperate forests in North America (AmeriFlux sites) using different model structures for the C allocation module: i) standard carbon allocation module in CLM, which allocates C to the stem and leaves as a dynamic function of NPP and with fixed coefficients for the rest of parameters; ii) alternative C allocation module, which allocates C to the root and stem as a dynamic function of NPP and with fixed coefficients for the rest of parameters; and iii) alternative C allocation module with fixed coefficients for all the parameters. We compare C allocation patterns and climate sensitivities betwen the different model structures and available observations for the sites. We suggest some future approaches to reduce model uncertainty in the current scheme for C allocation in CLM and its climate sensitivity.

  2. Carbon deposition model for oxygen-hydrocarbon combustion, volume 1

    NASA Technical Reports Server (NTRS)

    Hernandez, R.; Ito, J. I.; Niiya, K. Y.

    1987-01-01

    Presented are details of the design, fabrication, and testing of subscale hardware used in the evaluation of carbon deposition characteristics of liquid oxygen and three hydrocarbon fuels for both main chamber and preburner/gas generator operating conditions. In main chamber conditions, the deposition of carbon on the combustion chamber wall was investigated at mixture ratios of 2.0 to 4.0 and at pressures of 1000 to 1500 psia. No carbon deposition on the chamber walls was detected at these main chamber mixture ratios. In preburner/gas generator operating conditions, the deposition of carbon on the turbine simulator tubes was evaluated at mixture ratios of 0.20 to 0.60 and at chamber pressures of 720 to 1650 psia. The results of the tests showed carbon deposition rate to be a strong function of mixture ratio and a weak function of chamber pressure. Further analyses evaluated the operational consequences of carbon deposition on preburner/gas generator performance. The report is in two volumes, of which this is Volume 1 covering the main body of the report plus Appendixes A through D.

  3. Carbon Deposition Model for Oxygen-Hydrocarbon Combustion, Volume 2

    NASA Technical Reports Server (NTRS)

    Hernandez, R.; Ito, J. I.; Niiya, K. Y.

    1987-01-01

    Presented are details of the design, fabrication, and testing of subscale hardware used in the evaluation of carbon deposition characteristics of liquid oxygen and three hydrocarbon fuels for both main chamber and preburner/gas generator operating conditions. In main chamber conditions, the deposition of carbon on the combustion chamber wall was investigated at mixture ratios of 2.0 to 4.0 and at chamber pressures of 1000 to 1500 psia. No carbon deposition on chamber walls was detected at these main chamber mixture ratios. In preburner/gas generator operating conditions, the deposition of carbon on the turbine simulator tubes was evaluated at mixture ratios of 0.20 to 0.60 and at chamber pressures of 720 to 1650 psia. The results of the tests showed carbon deposition rate to be a strong function of mixture ratio and a weak function of chamber pressure. Further analyses evaluated the operational concequences of carbon deposition on preburner/gas generator performance. This is Volume 2 of the report, which contains data plots of all the test programs.

  4. Model for the Effect of Fiber Bridging on the Fracture Resistance of Reinforced-Carbon-Carbon

    NASA Technical Reports Server (NTRS)

    Chan, Kwai S.; Lee, Yi-Der; Hudak, Stephen J., Jr.

    2009-01-01

    A micromechanical methodology has been developed for analyzing fiber bridging and resistance-curve behavior in reinforced-carbon-carbon (RCC) panels with a three-dimensional (3D) composite architecture and a silicon carbide (SiC) surface coating. The methodology involves treating fiber bridging traction on the crack surfaces in terms of a weight function approach and a bridging law that relates the bridging stress to the crack opening displacement. A procedure has been developed to deduce material constants in the bridging law from the linear portion of the K-resistance curve. This report contains information on the application of procedures and outcomes.

  5. Modeling of carbon and nitrogen gaseous emissions from cattle manure compost windrows

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Windrow composting of cattle manure is a significant source of gaseous emissions, which include ammonia (NH3) and the greenhouse gases (GHGs) of carbon dioxide (CO2), methane (CH4), and nitrous oxide (N2O). A manure compost model was developed to simulate carbon (C) and nitrogen (N) processes includ...

  6. EPIC modeling of soil organic carbon sequestration in croplands of Iowa

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Agricultural lands can mitigate detrimental effects of greenhouse gases because soils can be managed to reduce carbon dioxide emissions and sequester carbon in soil organic matter. Simulation models are useful tools for studying the long-term impacts of crop and soil management practices on soil org...

  7. Changes in the carbon cycle of northern Eurasia simulated by process models

    NASA Astrophysics Data System (ADS)

    Rawlins, M. A.

    2013-12-01

    Pronounced warming across the northern high latitudes is impacting water and carbon cycles and raising concern over possible feedbacks to global climate. Recent model studied point toward a weakening of the terrestrial land carbon sink across the northern high latitudes, one notable manifestation of a warming Arctic. We explore links between regional climate and the carbon cycle using data from models participating in the Vulnerability of Permafrost Carbon Research Coordination Network (RCN). The domain of interest is the drainage basin within the Northern Eurasia Earth Science Partnership Initiative (NEESPI) region. Model outputs examined include gross primary production (GPP), heterotrophic respiration (RH), net ecosystem exchange (NEE), and total soil carbon storage. Mean flux budgets and their changes over the period 1960-2009 are calculated from the model estimates for the entire NEESPI region and for each major land cover category within the region. Use of an independent model, which captures well the spatial pattern in soil freeze/thaw dynamics, indicates that the reduction in permafrost extent over the NEESPI basin was 4-6% over recent decades. Modeled influences of permafrost thaw on the region's water and carbon cycles are evaluated in the context of recent measurements. Estimates of the flux of CO2 due to fire are also examined in order to better understand how these disturbances are altering regional carbon sink/source dynamics.

  8. Factors influencing anthropogenic carbon dioxide uptake in the North Atlantic in models of the ocean carbon cycle

    SciTech Connect

    Smith, R.S.; Marotzke, J.

    2008-09-30

    The uptake and storage of anthropogenic carbon in the North Atlantic is investigated using different configurations of ocean general circulation/carbon cycle models. We investigate how different representations of the ocean physics in the models, which represent the range of models currently in use, affect the evolution of CO{sub 2} uptake in the North Atlantic. The buffer effect of the ocean carbon system would be expected to reduce ocean CO{sub 2} uptake as the ocean absorbs increasing amounts of CO{sub 2}. We find that the strength of the buffer effect is very dependent on the model ocean state, as it affects both the magnitude and timing of the changes in uptake. The timescale over which uptake of CO{sub 2} in the North Atlantic drops to below preindustrial levels is particularly sensitive to the ocean state which sets the degree of buffering; it is less sensitive to the choice of atmospheric CO{sub 2} forcing scenario. Neglecting physical climate change effects, North Atlantic CO{sub 2} uptake drops below preindustrial levels between 50 and 300 years after stabilisation of atmospheric CO{sub 2} in different model configurations. Storage of anthropogenic carbon in the North Atlantic varies much less among the different model configurations, as differences in ocean transport of dissolved inorganic carbon and uptake of CO{sub 2} compensate each other. This supports the idea that measured inventories of anthropogenic carbon in the real ocean cannot be used to constrain the surface uptake. Including physical climate change effects reduces anthropogenic CO{sub 2} uptake and storage in the North Atlantic further, due to the combined effects of surface warming, increased freshwater input, and a slowdown of the meridional overturning circulation. The timescale over which North Atlantic CO{sub 2} uptake drops to below preindustrial levels is reduced by about one-third, leading to an estimate of this timescale for the real world of about 50 years after the stabilisation

  9. Global Biogeochemistry Models and Global Carbon Cycle Research at Lawrence Livermore National Laboratory

    SciTech Connect

    Covey, C; Caldeira, K; Guilderson, T; Cameron-Smith, P; Govindasamy, B; Swanston, C; Wickett, M; Mirin, A; Bader, D

    2005-05-27

    The climate modeling community has long envisioned an evolution from physical climate models to ''earth system'' models that include the effects of biology and chemistry, particularly those processes related to the global carbon cycle. The widely reproduced Box 3, Figure 1 from the 2001 IPCC Scientific Assessment schematically describes that evolution. The community generally accepts the premise that understanding and predicting global and regional climate change requires the inclusion of carbon cycle processes in models to fully simulate the feedbacks between the climate system and the carbon cycle. Moreover, models will ultimately be employed to predict atmospheric concentrations of CO{sub 2} and other greenhouse gases as a function of anthropogenic and natural processes, such as industrial emissions, terrestrial carbon fixation, sequestration, land use patterns, etc. Nevertheless, the development of coupled climate-carbon models with demonstrable quantitative skill will require a significant amount of effort and time to understand and validate their behavior at both the process level and as integrated systems. It is important to consider objectively whether the currently proposed strategies to develop and validate earth system models are optimal, or even sufficient, and whether alternative strategies should be pursued. Carbon-climate models are going to be complex, with the carbon cycle strongly interacting with many other components. Off-line process validation will be insufficient. As was found in coupled atmosphere-ocean GCMs, feedbacks between model components can amplify small errors and uncertainties in one process to produce large biases in the simulated climate. The persistent tropical western Pacific Ocean ''double ITCZ'' and upper troposphere ''cold pole'' problems are examples. Finding and fixing similar types of problems in coupled carbon-climate models especially will be difficult, given the lack of observations required for diagnosis and validation

  10. Estimates of live-tree carbon stores in the Pacific Northwest are sensitive to model selection

    PubMed Central

    2011-01-01

    Background Estimates of live-tree carbon stores are influenced by numerous uncertainties. One of them is model-selection uncertainty: one has to choose among multiple empirical equations and conversion factors that can be plausibly justified as locally applicable to calculate the carbon store from inventory measurements such as tree height and diameter at breast height (DBH). Here we quantify the model-selection uncertainty for the five most numerous tree species in six counties of northwest Oregon, USA. Results The results of our study demonstrate that model-selection error may introduce 20 to 40% uncertainty into a live-tree carbon estimate, possibly making this form of error the largest source of uncertainty in estimation of live-tree carbon stores. The effect of model selection could be even greater if models are applied beyond the height and DBH ranges for which they were developed. Conclusions Model-selection uncertainty is potentially large enough that it could limit the ability to track forest carbon with the precision and accuracy required by carbon accounting protocols. Without local validation based on detailed measurements of usually destructively sampled trees, it is very difficult to choose the best model when there are several available. Our analysis suggests that considering tree form in equation selection may better match trees to existing equations and that substantial gaps exist, in terms of both species and diameter ranges, that are ripe for new model-building effort. PMID:21477353

  11. A Greenhouse Gas and Soil Carbon Model for Estimating the Carbon Footprint of Livestock Production in Canada

    PubMed Central

    Vergé, Xavier P.C.; Dyer, James A.; Worth, Devon E.; Smith, Ward N.; Desjardins, Raymond L.; McConkey, Brian G.

    2012-01-01

    Simple Summary We developed a model to estimate the carbon footprint of Canadian livestock production. To include long term soil carbon storage and loss potential we introduced a payback period concept. The model was tested by reallocating 10% only of the protein production from a ruminant to a non ruminant source to minimize the risk of including rangeland or marginal lands. This displacement generated residual land which was found to play a major role in the potential mitigation of GHG emissions. The model will allow land use policies aimed at reducing the agricultural GHG emissions to be assessed. Abstract To assess tradeoffs between environmental sustainability and changes in food production on agricultural land in Canada the Unified Livestock Industry and Crop Emissions Estimation System (ULICEES) was developed. It incorporates four livestock specific GHG assessments in a single model. To demonstrate the application of ULICEES, 10% of beef cattle protein production was assumed to be displaced with an equivalent amount of pork protein. Without accounting for the loss of soil carbon, this 10% shift reduced GHG emissions by 2.5 TgCO2e y−1. The payback period was defined as the number of years required for a GHG reduction to equal soil carbon lost from the associated land use shift. A payback period that is shorter than 40 years represents a net long term decrease in GHG emissions. Displacing beef cattle with hogs resulted in a surplus area of forage. When this residual land was left in ungrazed perennial forage, the payback periods were less than 4 years and when it was reseeded to annual crops, they were equal to or less than 40 years. They were generally greater than 40 years when this land was used to raise cattle. Agricultural GHG mitigation policies will inevitably involve a trade-off between production, land use and GHG emission reduction. ULICEES is a model that can objectively assess these trade-offs for Canadian agriculture. PMID:26487032

  12. Interannual variability of carbon cycle implied by a 2-d atmospheric transport model.

    PubMed

    Can, Li; Xu, Li; Shao, Min; Zhang, Ren-Jian

    2004-01-01

    A 2-dimensional atmospheric transport model is deployed in a simplified CO2 inverse study. Calculated carbon flux distribution for the interval from 1981 to 1997 confirms the existence of a terrestrial carbon sink in mid-high latitude area of North Hemisphere. Strong interannual variability exists in carbon flux patterns, implying a possible link with ENSO and other natural episodes such as Pinatubo volcano eruption in 1991. Mechanism of this possible link was investigated with statistic method. Correlation analysis indicated that in North Hemisphere, climatic factors such as temperature and precipitation, to some extend, could influence the carbon cycle process of land and ocean, thus cause considerable change in carbon flux distribution. In addition, correlation study also demonstrated the possible, important role of Asian terrestrial ecosystems in carbon cycle.

  13. Evaluation of Land-Surface Models with GOSAT Carbon Dioxide Measurements

    NASA Astrophysics Data System (ADS)

    O'Dell, C.; Lindqvist, H.; Cheeseman, M.; Schuh, A. E.; Baker, D. F.; Baker, I. T.; Haynes, K. D.; Denning, A. S.; Collatz, G. J.; Chevallier, F.; Frankenberg, C.

    2014-12-01

    The Greenhouse Gases Observing Satellite (GOSAT) was launched in 2009, with a primary mission to better understand net fluxes of carbon dioxide on regional scales. However, this effort has been hampered not only by uncertainties and biases in the satellite retrievals of column-mean CO2 concentrations (XCO2), but also issues on the inverse modeling side into which the measurements are fed to derive fluxes. These issues include transport model errors, incorrect or unfairly constrained prior fluxes, and issues related to the inversion scheme itself (such as temporal window length in EnKF systems). In this work, we avoid the full global inversions and explore the idea that existing GOSAT observations can help evaluate land-surface carbon flux through direct comparison with forward model simulations. In this work, we compare forward model simulations of several biosphere models to GOSAT observations from the Atmospheric Carbon Observations from Space (ACOS) retrieval system. These include two versions of the Simple Biosphere (SiB) model, the Carnegie-Ames Stanford Approach (CASA) model, and the Organizing Carbon and Hydrology in Dynamic Ecosystems (ORCHIDEE) model. We provide evidence that large model-data differences tend to be driven by differences in the assumed net surface fluxes rather than from transport model errors. Tropical land fluxes, poorly sampled by the in-situ network, can exhibit significant differences when compared to the satellite observations and point to the possibility that these satellite data could help drive direct improvements to the land carbon flux models.

  14. Transport Models for Radioactive Carbon Dioxide at RWMC

    SciTech Connect

    Hull, Laurence Charles; Hohorst, Frederick August

    2001-12-01

    Radioactive carbon dioxide (formed by oxidation of carbon-14) is a highly mobile, radioactive contaminant released from solid wastes buried at the Subsurface Disposal Area (SDA) at the Radioactive Waste Management Complex (RWMC) at the Idaho National Engineering and Environmental Laboratory (INEEL). Radioactive CO2 is chemically active in the environment, volatile, water soluble, and subject to adsorption on solids. For this reason, its fate must be understood and controlled to meet radiological requirements (protection of the atmosphere, aquifer, vadose zones, plants and animals). In the present work, the migration of carbon-14 as dissolved bicarbonate was studied using miscible displacement experiments in water-saturated columns containing sediments from RWMC. Dissolved carbon-14 was retarded relative to the movement of water by a factor of about 3.6, which translates to a partition coefficient (Kd) of 0.8 ml/g. Two different adsorption sites were identified, with one site possibly having a nonlinear adsorption isotherm. A conservative tracer gas, sulfur hexafluoride, was used to measure the tortuosity of sedimentary material for gaseous diffusion. The tortuosity of the RWMC sediment (Spreading Area B sediment) was determined to be 3.2, which is slightly greater than predicted by the commonly used Millington-Quirk equation. In terms of affecting the migration of carbon-14 to the aquifer, the relative importance of the parameters studied is: (1) natural moisture content of the sediments, (2) sediment tortuosity to gas-phase diffusion, and (3) adsorption onto solid phases.

  15. Modeling high adsorption capacity and kinetics of organic macromolecules on super-powdered activated carbon.

    PubMed

    Matsui, Yoshihiko; Ando, Naoya; Yoshida, Tomoaki; Kurotobi, Ryuji; Matsushita, Taku; Ohno, Koichi

    2011-02-01

    The capacity to adsorb natural organic matter (NOM) and polystyrene sulfonates (PSSs) on small particle-size activated carbon (super-powdered activated carbon, SPAC) is higher than that on larger particle-size activated carbon (powdered-activated carbon, PAC). Increased adsorption capacity is likely attributable to the larger external surface area because the NOM and PSS molecules do not completely penetrate the adsorbent particle; they preferentially adsorb near the outer surface of the particle. In this study, we propose a new isotherm equation, the Shell Adsorption Model (SAM), to explain the higher adsorption capacity on smaller adsorbent particles and to describe quantitatively adsorption isotherms of activated carbons of different particle sizes: PAC and SPAC. The SAM was verified with the experimental data of PSS adsorption kinetics as well as equilibrium. SAM successfully characterized PSS adsorption isotherm data for SPACs and PAC simultaneously with the same model parameters. When SAM was incorporated into an adsorption kinetic model, kinetic decay curves for PSSs adsorbing onto activated carbons of different particle sizes could be simultaneously described with a single kinetics parameter value. On the other hand, when SAM was not incorporated into such an adsorption kinetic model and instead isotherms were described by the Freundlich model, the kinetic decay curves were not well described. The success of the SAM further supports the adsorption mechanism of PSSs preferentially adsorbing near the outer surface of activated carbon particles.

  16. Spatiotemporal modeling of soil organic carbon stocks across a subtropical region.

    PubMed

    Ross, Christopher Wade; Grunwald, Sabine; Myers, David Brenton

    2013-09-01

    Given the significance and complex nature of soil organic carbon in the context of the global carbon cycle, the need exists for more accurate and economically feasible means of soil organic carbon analysis and its underlying spatial variation at regional scale. The overarching goal of this study was to assess both the spatial and temporal variability of soil organic carbon within a subtropical region of Florida, USA. Specifically, the objectives were to: i) quantify regional soil organic carbon stocks for historical and current conditions and ii) determine whether the soils have acted as a net sink or a net source for atmospheric carbon-dioxide over an approximate 40 year time period. To achieve these objectives, geostatistical interpolation models were used in conjunction with "historical" and "current" datasets to predict soil organic carbon stocks for the upper 20 cm soil profile of the study area. Soil organic carbon estimates derived from the models ranged from 102 to 108 Tg for historical conditions and 211 to 320 Tg for current conditions, indicating that soils in the study area have acted as a net sink for atmospheric carbon over the last 40 years. A paired resampling of historical sites supported the geostatistical estimates, and resulted in an average increase of 0.8 g carbon m(-2) yr(-1) across all collocated samples. Accurately assessing the spatial and temporal state of soil organic carbon at regional scale is critical to further our understanding of global carbon stocks and provide a baseline so that the effects sustainable land use policy can be evaluated.

  17. Model study of atmospheric transport using carbon 14 and strontium 90 as inert tracers

    NASA Technical Reports Server (NTRS)

    Kinnison, D. E.; Johnston, H. S.; Wuebbles, D. J.

    1994-01-01

    The observed excess carbon 14 in the atmosphere from 1963 to 1970 provides unique, but limited, data up to an altitude of about 35 km for testing the air motions calculated by 11 multidimensional atmospheric models. Strontium 90 measurements in the atmosphere from 1964 to mid-1967 provide data that have more latitude coverage than those of carbon 14 and are useful for testing combined models of air motions and aerosol settling. Model calculations for carbon 14 begin at October 1963, 9 months after the conclusion of the nuclear bomb tests; the initial conditions for the calculations are derived by three methods, each of which agrees fairly well with measured carbon 14 in October 1963 and each of which has widely different values in regions of the stratosphere where there were no carbon 14 measurements. The model results are compared to the stratospheric measurements, not as if the observed data were absolute standards, but in an effort to obtain new insight about the models and about the atmosphere. The measured carbon 14 vertical profiles at 31 deg N are qualitatively different from all of the models; the measured vertical profiles show a maximum mixing ratio in the altitude range of 20 to 25 km from October 1963 through July 1966, but all modeled profiles show mixing ratio maxima that increase in altitude from 20 km in October 1963 to greater than 40 km by April 1966. Both carbon 14 and strontium 90 data indicate that the models differ substantially among themselves with respect to stratosphere-troposphere exchange rate, but the modeled carbon 14 stratospheric residence times indicate that differences among the models are small with respect to transport rate between the middle stratosphere and the lower stratosphere. Strontium 90 data indicate that aerosol settling is important up to at least 35 km altitude. Relative to the measurements, about three quarters of the models transport carbon 14 from the lower stratosphere to the troposphere too rapidly, and all

  18. MODELING FUNCTIONALLY GRADED INTERPHASE REGIONS IN CARBON NANOTUBE REINFORCED COMPOSITES

    NASA Technical Reports Server (NTRS)

    Seidel, G. D.; Lagoudas, D. C.; Frankland, S. J. V.; Gates, T. S.

    2006-01-01

    A combination of micromechanics methods and molecular dynamics simulations are used to obtain the effective properties of the carbon nanotube reinforced composites with functionally graded interphase regions. The multilayer composite cylinders method accounts for the effects of non-perfect load transfer in carbon nanotube reinforced polymer matrix composites using a piecewise functionally graded interphase. The functional form of the properties in the interphase region, as well as the interphase thickness, is derived from molecular dynamics simulations of carbon nanotubes in a polymer matrix. Results indicate that the functional form of the interphase can have a significant effect on all the effective elastic constants except for the effective axial modulus for which no noticeable effects are evident.

  19. Modeling of the HiPco process for carbon nanotube production. I. Chemical kinetics

    NASA Technical Reports Server (NTRS)

    Dateo, Christopher E.; Gokcen, Tahir; Meyyappan, M.

    2002-01-01

    A chemical kinetic model is developed to help understand and optimize the production of single-walled carbon nanotubes via the high-pressure carbon monoxide (HiPco) process, which employs iron pentacarbonyl as the catalyst precursor and carbon monoxide as the carbon feedstock. The model separates the HiPco process into three steps, precursor decomposition, catalyst growth and evaporation, and carbon nanotube production resulting from the catalyst-enhanced disproportionation of carbon monoxide, known as the Boudouard reaction: 2 CO(g)-->C(s) + CO2(g). The resulting detailed model contains 971 species and 1948 chemical reactions. A second model with a reduced reaction set containing 14 species and 22 chemical reactions is developed on the basis of the detailed model and reproduces the chemistry of the major species. Results showing the parametric dependence of temperature, total pressure, and initial precursor partial pressures are presented, with comparison between the two models. The reduced model is more amenable to coupled reacting flow-field simulations, presented in the following article.

  20. Canopy Carbon Discrimination in a Dense Forest Estimated From a Multi-Layer Biophysical Model

    NASA Astrophysics Data System (ADS)

    Knohl, A.; Baldocchi, D. D.

    2005-12-01

    Carbon isotope discrimination during photosynthesis of plant canopies has been used to constrain global carbon models and to partition ecosystem fluxes into its components. Often carbon discrimination is estimated based on a big-leaf model assuming constant environmental forcing for the entire canopy. In dense and tall forest canopies, however, microclimatic conditions and therefore stomata control on discrimination can strongly vary vertically within the canopy. Numerous studies found a large vertical gradient in bulk leaf carbon isotope values indicating the importance of microclimate on discrimination. It remains unclear how well big-leaf models represent actual canopy discrimination considering microclimatic variations throughout the canopy. Here we use a multi-layered biophysical canopy model to estimate discrimination for each layer and to obtain flux-weighted canopy discrimination for the entire canopy. The model consists of 40 layers, each distinguishing sunlit and shaded leaves. Leaf energy balance, leaf transpiration and photosynthesis are calculated for each layer based on turbulence inside the canopy and light penetration through the canopy. The model showed very good agreement with carbon, water and energy fluxes measured with the eddy covariance technique. The modeled vertical gradient in carbon discrimination matches well with observations made in bulk material and sugars from leaves indicating the importance of microclimatic gradients on canopy discrimination in dense forests.

  1. Development of models for predicting carbon mineralization and associated phytotoxicity in compost-amended soil.

    PubMed

    Aslam, Danielle N; Vandergheynst, Jean S; Rumsey, Thomas R

    2008-12-01

    Phytotoxicity of compost-amended soil is related to carbon mineralization associated with compost decomposition. The objective of this research was to determine if compost carbon mineralization potential, estimated using compost respiration rate measurements, could be combined with carbon mineralization kinetic models to predict phytotoxicity of compost-amended soil. First-order, second-order, and Monod kinetic models that include compost carbon mineralization potential, compost amendment rate, incubation time, and temperature were developed and compared for their ability to predict carbon mineralization kinetics. Experiments utilized two soil types amended with 0%, 5%, and 50% (v/v) food waste and green waste composts, incubated at 20 degrees C, 25 degrees C, 30 degrees C, 35 degrees C, and 45 degrees C for model development and under a diurnal temperature cycle from 20 degrees C to 30 degrees C for model validation. For most cases, a first-order model had an equivalent or better fit to the data than the other models. Mineralizable carbon estimated using the first-order model was significantly correlated to the probability of phytotoxicity in compost-amended soil.

  2. An integrated assessment model of carbon sequestration benefits: a case study of Liping county, China.

    PubMed

    Caldwell, I M; Maclaren, V W; Chen, J M; Ju, W M; Zhou, S; Yin, Y; Boland, A

    2007-11-01

    This research attempts to model the complexity of planting trees to increase China's CO(2) sequestration potential by using a GIS-based integrated assessment (IA) approach. We use the IA model to assess the impact of China's Grain for Green reforestation and afforestation program on farmer and state incomes as well as CO(2) sequestration in Liping County, Guizhou Province. The IA model consists of five sub-models for carbon sequestration, crop income, timber income, Grain for Green, and carbon credits. It also includes a complementary qualitative module for assessing program impacts by gender and ethnicity. Using four scenarios with various assumptions about types of trees planted, crop incomes by township, CO(2) credit prices, state subsidies, methods for estimating carbon sequestered, and harvesting of trees, we find great variation in the impact of the Grain for Green program on incomes and on carbon sequestered over a 48 year period at both the county and township levels.

  3. Using Multiple Soil Carbon Maps Facilitates Better Comparisons with Large Scale Modeled Outputs

    NASA Astrophysics Data System (ADS)

    Johnson, K. D.; D'Amore, D. V.; Pastick, N. J.; Genet, H.; Mishra, U.; Wylie, B. K.; Bliss, N. B.

    2015-12-01

    The choice of method applied for mapping the soil carbon is an important source of uncertainty when comparing observed soil carbon stocks to modeled outputs. Large scale soil mapping often relies on non-random and opportunistically collected soils data to make predictions over remote areas where few observations are available for independent validation. Addressing model choice and non-random sampling is problematic when models use the data for the calibration and validation of historical outputs. One potential way to address this uncertainty is to compare the modeled outputs to a range of soil carbon observations from different soil carbon maps that are more likely to capture the true soil carbon value than one map alone. The current analysis demonstrates this approach in Alaska, which despite suffering from a non-random sample, still has one of the richest datasets among the northern circumpolar regions. The outputs from 11 ESMs (from the 5th Climate Model Intercomparison Project) and the Dynamic Organic Soil version of the Terrestrial Ecosystem Model (DOS-TEM) were compared to 4 different soil carbon maps. In the most detailed comparison, DOS-TEM simulated total profile soil carbon stocks that were within the range of the 4 maps for 18 of 23 Alaskan ecosystems, whereas the results fell within the 95% confidence interval of only 8 when compared to just one commonly used soil carbon map (NCSCDv2). At the ecoregion level, the range of soil carbon map estimates overlapped the range of ESM outputs in every ecoregion, although the mean value of the soil carbon maps was between 17% (Southern Interior) and 63% (Arctic) higher than the mean of the ESM outputs. For the whole state of Alaska, the DOS-TEM output and 3 of the 11 ESM outputs fell within the range of the 4 soil carbon map estimates. However, when compared to only one map and its 95% confidence interval (NCSCDv2), the DOS-TEM result fell outside the interval and only two ESM's fell within the observed interval

  4. Modeling of carbon segregation and accompanying processes during HTSC manufacture

    NASA Astrophysics Data System (ADS)

    Parinov, I. A.; Parinova, L. I.; Rozhkov, E. V.

    2002-08-01

    The formation of microstructure defects and weak links, which have considerable influence on the structure-sensitive properties of high-temperature superconductors (HTSC) is discussed, taking into account the carbon segregation, which embrittles intergranular boundaries and constructs the weak links. The carbon segregation processes are associated with slow, fast and steady states of the dislocation-screened crack growth. The solutions obtained can be applied to the finite element formulations and other numerical codes by which the stress-strain states, distributions, kinetics and parameters of intergranular defects during manufacture of the HTSC systems can be predicted.

  5. Site-specific seasonal models of carbon fluxes in terrestrial biomes

    SciTech Connect

    King, A.W.; DeAngelis, D.L.

    1986-01-01

    A set of site-specific computer simulation models of seasonal terrestrial carbon exchange has been assembled from open-literature sources. This collection is designed to facilitate the development of biome-level models for each of the principal terrestrial vegetation biomes on earth, for their integration into a global model of seasonal CO/sub 2/ variation in the atmosphere. The models are described in sufficient detail that their underlying assumptions can be compared. Descriptions include the following aspects of each model: (1) the compartments; (2) the carbon fluxes between compartments; and (3) the climatic variables that drive the carbon fluxes. In particular, the functional forms of the dependencies of respiration and photosynthesis on the driving variables are described. The methods by which these models will be extrapolated to biome-level models are also discussed.

  6. Modeling Studies of Carbon Cycling at the Tapajos National Forest using the NASA-CASA Ecosystem Model

    NASA Astrophysics Data System (ADS)

    Klooster, S.; Potter, C.; Oliveira, R.; Carvalho, C.; Kramer, M.

    2004-12-01

    The NASA-CASA model is being compared to measurements of energy, water, and carbon exchange at Tapajos National Forest (TNF) tower sites. Daily and monthly model estimates of plant water flux and soil water content, ecosystem productivity, biogeochemical processes, trace gas emissions, and net carbon sequestration are evaluated here for prediction errors and seasonal trends. High resolution (less than 1-km) land cover images for 'footprint' areas of LBA tower sites are being used to define ecosystem model estimates and validation of predictions against measured tower fluxes of carbon and water exchange. Initial model results replicate the seasonal patterns in measured NEE fluxes at km 67, and are consistent with the findings that trees in the eastern Amazon are deeply rooted and their carbon fluxes are not highly stressed during relatively dry seasonal periods. Increased woody debris from past disturbance events could increase the CASA model's predicted loss of carbon to the atmosphere (increase NEE flux). Hence, LBA ecosystem models must better account for recent changes in the forest floor and soil carbon pools at tropical forest sites, specifically those related to disturbance.

  7. Heterogeneous nucleation of ice on model carbon surfaces

    NASA Astrophysics Data System (ADS)

    Molinero, V.; Lupi, L.; Hudait, A.

    2014-12-01

    Carbonaceous particles account for 10% of the particulate matter in the atmosphere. The experimental investigation of heterogeneous freezing of water droplets by carbonaceous particles reveals widespread ice freezing temperatures. The origin of the soot and its oxidation and aging modulate its ice nucleation ability, however, it is not known which structural and chemical characteristics of soot account for the variability in ice nucleation efficiency. We find that atomically flat carbon surfaces promote heterogeneous nucleation of ice, while molecularly rough surfaces with the same hydrophobicity do not. We investigate a large set of graphitic surfaces of various dimensions and radii of curvature consistent with those of soot in experiments, and find that variations in nanostructures alone could account for the spread in the freezing temperatures of ice on soot in experiments. A characterization of the nanostructure of soot is needed to predict its ice nucleation efficiency. Atmospheric oxidation and aging of soot modulates its ice nucleation ability. It has been suggested that an increase in the ice nucleation ability of aged soot results from an increase in the hydrophilicity of the surfaces upon oxidation. Oxidation, however, also impacts the nanostructure of soot, making it difficult to assess the separate effects of soot nanostructure and hydrophilicity in experiments. We investigate the effect of changes in hydrophilicity of model graphitic surfaces on the freezing temperature of ice. Our results indicate that the hydrophilicity of the surface is not in general a good predictor of ice nucleation ability. We find a correlation between the ability of a surface to promote nucleation of ice and the layering of liquid water at the surface. The results of this work suggest that ordering of liquid water in contact with the surface plays an important role in the heterogeneous ice nucleation mechanism. References: L. Lupi, A. Hudait and V. Molinero, J. Am. Chem. Soc

  8. Observation-based modelling of permafrost carbon fluxes with accounting for deep carbon deposits and thermokarst activity

    NASA Astrophysics Data System (ADS)

    Schneider von Deimling, T.; Grosse, G.; Strauss, J.; Schirrmeister, L.; Morgenstern, A.; Schaphoff, S.; Meinshausen, M.; Boike, J.

    2015-06-01

    High-latitude soils store vast amounts of perennially frozen and therefore inert organic matter. With rising global temperatures and consequent permafrost degradation, a part of this carbon stock will become available for microbial decay and eventual release to the atmosphere. We have developed a simplified, two-dimensional multi-pool model to estimate the strength and timing of future carbon dioxide (CO2) and methane (CH4) fluxes from newly thawed permafrost carbon (i.e. carbon thawed when temperatures rise above pre-industrial levels). We have especially simulated carbon release from deep deposits in Yedoma regions by describing abrupt thaw under newly formed thermokarst lakes. The computational efficiency of our model allowed us to run large, multi-centennial ensembles under various scenarios of future warming to express uncertainty inherent to simulations of the permafrost carbon feedback. Under moderate warming of the representative concentration pathway (RCP) 2.6 scenario, cumulated CO2 fluxes from newly thawed permafrost carbon amount to 20 to 58 petagrams of carbon (Pg-C) (68% range) by the year 2100 and reach 40 to 98 Pg-C in 2300. The much larger permafrost degradation under strong warming (RCP8.5) results in cumulated CO2 release of 42 to 141 Pg-C and 157 to 313 Pg-C (68% ranges) in the years 2100 and 2300, respectively. Our estimates only consider fluxes from newly thawed permafrost, not from soils already part of the seasonally thawed active layer under pre-industrial climate. Our simulated CH4 fluxes contribute a few percent to total permafrost carbon release yet they can cause up to 40% of total permafrost-affected radiative forcing in the 21st century (upper 68% range). We infer largest CH4 emission rates of about 50 Tg-CH4 per year around the middle of the 21st century when simulated thermokarst lake extent is at its maximum and when abrupt thaw under thermokarst lakes is taken into account. CH4 release from newly thawed carbon in wetland

  9. Observation-based modelling of permafrost carbon fluxes with accounting for deep carbon deposits and thermokarst activity

    NASA Astrophysics Data System (ADS)

    Schneider von Deimling, T.; Grosse, G.; Strauss, J.; Schirrmeister, L.; Morgenstern, A.; Schaphoff, S.; Meinshausen, M.; Boike, J.

    2014-12-01

    High-latitude soils store vast amounts of perennially frozen and therefore inert organic matter. With rising global temperatures and consequent permafrost degradation, a part of this carbon store will become available for microbial decay and eventual release to the atmosphere. We have developed a simplified, two-dimensional multi-pool model to estimate the strength and timing of future carbon dioxide (CO2) and methane (CH4) fluxes from newly thawed permafrost carbon (i.e. carbon thawed when temperatures rise above pre-industrial levels). We have especially simulated carbon release from deep deposits in Yedoma regions by describing abrupt thaw under thermokarst lakes. The computational efficiency of our model allowed us to run large, multi-centennial ensembles under various scenarios of future warming to express uncertainty inherent to simulations of the permafrost-carbon feedback. Under moderate warming of the representative concentration pathway (RCP) 2.6 scenario, cumulated CO2 fluxes from newly thawed permafrost carbon amount to 20 to 58 petagrammes of carbon (Pg-C) (68% range) by the year 2100 and reach 40 to 98 Pg-C in 2300. The much larger permafrost degradation under strong warming (RCP8.5) results in cumulated CO2 release of 42-141 and 157-313 Pg-C (68% ranges) in the years 2100 and 2300, respectively. Our estimates do only consider fluxes from newly thawed permafrost but not from soils already part of the seasonally thawed active layer under preindustrial climate. Our simulated methane fluxes contribute a few percent to total permafrost carbon release yet they can cause up to 40% of total permafrost-affected radiative forcing in the 21st century (upper 68% range). We infer largest methane emission rates of about 50 Tg-CH4 year-1 around the mid of the 21st century when simulated thermokarst lake extent is at its maximum and when abrupt thaw under thermokarst lakes is accounted for. CH4 release from newly thawed carbon in wetland-affected deposits is only

  10. A study of carbon monoxide distribution determinations for a global transport model

    NASA Technical Reports Server (NTRS)

    Peters, Leonard K.

    1988-01-01

    The primary objective of this grant was to further the development of a global transport/chemistry model that simulates the physico-chemical behavior of methane and carbon monoxide in the troposphere. The computer simulation model is designed to analyze the processes that occur as methane and carbon monoxide are transported from their respective sources to their ultimate fate, e.g., final conversion to CO2, transport to the stratosphere, deposition at ground level, etc.

  11. Carbon mass-balance modeling and carbon isotope exchange processes in the Curonian Lagoon

    NASA Astrophysics Data System (ADS)

    Barisevičiūtė, Rūta; Žilius, Mindaugas; Ertürk, Ali; Petkuvienė, Jolita

    2016-04-01

    The Curonian lagoon one of the largest coastal lagoons in Europe is located in the southeastern part of the Baltic Sea and lies along the Baltic coast of Lithuania and the Kaliningrad region of Russia. It is influenced by a discharge of the Nemunas and other smaller rivers and saline water of the Baltic Sea. The narrow (width 0.4 km, deep 8-14 m) Klaipėda Strait is the only way for fresh water run-off and brackish water intrusions. This research is focused on carbon isotope fractionations related with air - water exchange, primary production and organic carbon sedimentation, mineralization and uptake from both marine and terrestrial sources.

  12. Advanced modeling to accelerate the scale up of carbon capture technologies

    SciTech Connect

    Miller, David C.; Sun, XIN; Storlie, Curtis B.; Bhattacharyya, Debangsu

    2015-06-01

    In order to help meet the goals of the DOE carbon capture program, the Carbon Capture Simulation Initiative (CCSI) was launched in early 2011 to develop, demonstrate, and deploy advanced computational tools and validated multi-scale models to reduce the time required to develop and scale-up new carbon capture technologies. This article focuses on essential elements related to the development and validation of multi-scale models in order to help minimize risk and maximize learning as new technologies progress from pilot to demonstration scale.

  13. Critical velocities for deflagration and detonation triggered by voids in a REBO high explosive

    SciTech Connect

    Herring, Stuart Davis; Germann, Timothy C; Jensen, Niels G

    2010-01-01

    The effects of circular voids on the shock sensitivity of a two-dimensional model high explosive crystal are considered. We simulate a piston impact using molecular dynamics simulations with a Reactive Empirical Bond Order (REBO) model potential for a sub-micron, sub-ns exothermic reaction in a diatomic molecular solid. The probability of initiating chemical reactions is found to rise more suddenly with increasing piston velocity for larger voids that collapse more deterministically. A void with radius as small as 10 nm reduces the minimum initiating velocity by a factor of 4. The transition at larger velocities to detonation is studied in a micron-long sample with a single void (and its periodic images). The reaction yield during the shock traversal increases rapidly with velocity, then becomes a prompt, reliable detonation. A void of radius 2.5 nm reduces the critical velocity by 10% from the perfect crystal. A Pop plot of the time-to-detonation at higher velocities shows a characteristic pressure dependence.

  14. Microbial models with data-driven parameters predict stronger soil carbon responses to climate change.

    PubMed

    Hararuk, Oleksandra; Smith, Matthew J; Luo, Yiqi

    2015-06-01

    Long-term carbon (C) cycle feedbacks to climate depend on the future dynamics of soil organic carbon (SOC). Current models show low predictive accuracy at simulating contemporary SOC pools, which can be improved through parameter estimation. However, major uncertainty remains in global soil responses to climate change, particularly uncertainty in how the activity of soil microbial communities will respond. To date, the role of microbes in SOC dynamics has been implicitly described by decay rate constants in most conventional global carbon cycle models. Explicitly including microbial biomass dynamics into C cycle model formulations has shown potential to improve model predictive performance when assessed against global SOC databases. This study aimed to data-constrained parameters of two soil microbial models, evaluate the improvements in performance of those calibrated models in predicting contemporary carbon stocks, and compare the SOC responses to climate change and their uncertainties between microbial and conventional models. Microbial models with calibrated parameters explained 51% of variability in the observed total SOC, whereas a calibrated conventional model explained 41%. The microbial models, when forced with climate and soil carbon input predictions from the 5th Coupled Model Intercomparison Project (CMIP5), produced stronger soil C responses to 95 years of climate change than any of the 11 CMIP5 models. The calibrated microbial models predicted between 8% (2-pool model) and 11% (4-pool model) soil C losses compared with CMIP5 model projections which ranged from a 7% loss to a 22.6% gain. Lastly, we observed unrealistic oscillatory SOC dynamics in the 2-pool microbial model. The 4-pool model also produced oscillations, but they were less prominent and could be avoided, depending on the parameter values.

  15. Comparison of carbon dioxide uptake between inverse and bottom-up models over the Mountain West

    NASA Astrophysics Data System (ADS)

    Brooks, B.; Desai, A. R.; Stephens, B. B.

    2010-12-01

    An essential objective of the North American Carbon Program (NACP) has been to constrain carbon cycle sources and sinks in particular through land surface model intercomparison. Many of these bottom-up models estimate fluxes of carbon dioxide using remotely sensed satellite products such as fraction of Photosynthetically Active Radiation (fPAR) and Leaf Area Index (LAI), which are difficult to calibrate over the complex terrain and heterogeneous land cover of the United States Mountain West. Inverse methods that retrieve fluxes by assimilating in situ CO2 concentrations offer a different approach for estimating carbon dioxide exchange. In this study we compare CO2 fluxes between several models that participated in the NACP Regional and Continental Interim Synthesis and CarbonTracker, a nested grid tracer transport inverse model, over a domain that encompasses the Regional Atmospheric Continuous CO2 Network in the Rocky Mountains (RACCOON). An inverse to bottom-up model comparison over the RACCOON domain allows us to address several key questions: 'How do inverse and bottom-up models differ in CO2 uptake?', 'Do the inverse model - bottom-up model mismatches exceed error estimates?', and 'Does filtering-out CO2 observations representing local flows before assimilation by the inverse model reduce such discrepancies?'

  16. Modeling carbon sequestration potential in Mollisols under climate change scenarios

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Carbon sequestration in agricultural soils, besides its importance in mitigating global climate change, impacts and will be impacted by provisioning, regulating and supporting agroecosystem services. The objectives of this study were to (1) provide an improved understanding of the role of projected ...

  17. MULTI-PHASE CFD MODELING OF A SOLID SORBENT CARBON CAPTURE SYSTEM

    SciTech Connect

    Ryan, Emily M.; Xu, Wei; DeCroix, David; Saha, Kringan; Huckaby, E. D.; Darteville, Sebastien; Sun, Xin

    2012-05-01

    Post-combustion solid sorbent carbon capture systems are being studied via computational modeling as part of the U.S. Department of Energy’s Carbon Capture Simulation Initiative (CCSI). The work focuses on computational modeling of device-scale multi-phase computational fluid dynamics (CFD) simulations for given carbon capture reactor configurations to predict flow properties, outlet compositions, temperature and pressure. The detailed outputs of the device-scale models provide valuable insight into the operation of new carbon capture devices and will help in the design and optimization of carbon capture systems. As a first step in this project we have focused on modeling a 1 kWe solid sorbent carbon capture system using the commercial CFD software ANSYS FLUENT®. Using the multi-phase models available in ANSYS FLUENT®, we are investigating the use of Eulerian-Eulerian and Eulerian-Lagrangian methods for modeling a fluidized bed carbon capture design. The applicability of the dense discrete phase method (DDPM) is being considered along with the more traditional Eulerian-Eulerian multi-phase model. In this paper we will discuss the design of the 1 kWe solid sorbent system and the setup of the DDPM and Eulerian-Eulerian models used to simulate the system. The results of the hydrodynamics in the system will be discussed and the predictions of the DDPM and Eulerian-Eulerian simulations will be compared. A discussion of the sensitivity of the model to boundary and initial conditions, computational meshing, granular pressure, and drag sub-models will also be presented.

  18. Evaluating the deep-ocean circulation of a global ocean model using carbon isotopic ratios

    NASA Astrophysics Data System (ADS)

    Paul, André; Dutkiewicz, Stephanie; Gebbie, Jake; Losch, Martin; Marchal, Olivier

    2016-04-01

    We study the sensitivity of a global three-dimensional biotic ocean carbon-cycle model to the parameterizations of gas exchange and biological productivity as well as to deep-ocean circulation strength, and we employ the carbon isotopic ratios δ13C and Δ14C of dissolved inorganic carbon for a systematic evaluation against observations. Radiocarbon (Δ14C) in particular offers the means to assess the model skill on a time scale of 100 to 1000 years relevant to the deep-ocean circulation. The carbon isotope ratios are included as tracers in the MIT general circulation model (MITgcm). The implementation involves the fractionation processes during photosynthesis and air-sea gas exchange. We present the results of sixteen simulations combining two different parameterizations of the piston velocity, two different parameterizations of biological productivity (including the effect of iron fertilization) and four different overturning rates. These simulations were first spun up to equilibrium (more than 10,000 years of model simulation) and then continued from AD 1765 to AD 2002. For the model evaluation, we followed the OCMIP-2 (Ocean Carbon-Cycle Model Intercomparision Project phase two) protocol, comparing the results to GEOSECS (Geochemical Ocean Sections Survey) and WOCE (World Ocean Circulation Experiment) δ13C and natural Δ14C data in the world ocean. The range of deep natural Δ14C (below 1000 m) for our single model (MITgcm) was smaller than for the group of different OCMIP-2 models. Furthermore, differences between different model parameterizations were smaller than for different overturning rates. We conclude that carbon isotope ratios are a useful tool to evaluate the deep-ocean circulation. Since they are also available from deep-sea sediment records, we postulate that the simulation of carbon isotope ratios in a global ocean model will aid in estimating the deep-ocean circulation and climate during present and past.

  19. North American Carbon Program (NACP) Interim Synthesis Project: Regional Forward Model Intercomparision (Invited)

    NASA Astrophysics Data System (ADS)

    Post, M.; Huntzinger, D. N.; Michalak, A. M.; Wei, Y.; Jacobson, A. R.; Cook, R. B.; Regional-Interim Synthesis Participants, N.; Regional/Continental Interim-Synthesis Team

    2010-12-01

    Our understanding of how carbon is exchanged between terrestrial ecosystems and the atmosphere is gained from direct observations and experiments, as well as through modeling activities. Terrestrial biosphere models (TBMs) have become an integral tool for extrapolating local observations and understanding to larger regions. Although models vary in their specific goals and approaches, their central role within carbon cycle research is to provide a better understanding of the mechanisms currently controlling carbon exchange. Recently, the North American Carbon Program (NACP) organized several interim-synthesis activities (http://nacp.ornl.gov/ int_synthesis.shtml) to evaluate and inter-compare models and observations at local to continental scales for the time period of 2000 through 2005. Here, we present the results from the TBMs collected as part of the regional and continental interim-synthesis (RCIS) activities. The primary objective of this work is to synthesize and compare 19 TBMs to assess current understanding of the terrestrial carbon cycle in North America. Thus, the RCIS focuses on model simulations and data currently available from analyses that have been completed by ongoing NACP projects and other recently published studies. Bringing model estimates (and available data) together that incorporate a wide range of modeling approaches provides a valuable assessment of the current state of understanding of regional carbon flux across North America. The TBM flux estimates are evaluated over different land cover regions of North America, and with respect to photosynthetic formulation, soil carbon dynamics, environmental driving variables, and temporal resolution. Model estimates are also compared to spatially explicit inventory-based estimates of cropland productivity. There is significant disagreement among the models in their estimates of gross primary production (GPP), with estimates during the peak growing season differing by over 300 gC/(m2 month) in

  20. Review and model-based analysis of factors influencing soil carbon sequestration beneath switchgrass (Panicum virgatum)

    SciTech Connect

    Garten Jr, Charles T

    2012-01-01

    Abstract. A simple, multi-compartment model was developed to predict soil carbon sequestration beneath switchgrass (Panicum virgatum) plantations in the southeastern United States. Soil carbon sequestration is an important component of sustainable switchgrass production for bioenergy because soil organic matter promotes water retention, nutrient supply, and soil properties that minimize erosion. A literature review was included for the purpose of model parameterization and five model-based experiments were conducted to predict how changes in environment (temperature) or crop management (cultivar, fertilization, and harvest efficiency) might affect soil carbon storage and nitrogen losses. Predictions of soil carbon sequestration were most sensitive to changes in annual biomass production, the ratio of belowground to aboveground biomass production, and temperature. Predictions of ecosystem nitrogen loss were most sensitive to changes in annual biomass production, the soil C/N ratio, and nitrogen remobilization efficiency (i.e., nitrogen cycling within the plant). Model-based experiments indicated that 1) soil carbon sequestration can be highly site specific depending on initial soil carbon stocks, temperature, and the amount of annual nitrogen fertilization, 2) response curves describing switchgrass yield as a function of annual nitrogen fertilization were important to model predictions, 3) plant improvements leading to greater belowground partitioning of biomass could increase soil carbon sequestration, 4) improvements in harvest efficiency have no indicated effects on soil carbon and nitrogen, but improve cumulative biomass yield, and 5) plant improvements that reduce organic matter decomposition rates could also increase soil carbon sequestration, even though the latter may not be consistent with desired improvements in plant tissue chemistry to maximize yields of cellulosic ethanol.

  1. Development, characterization, and application of the DRI model 2015 multiwavelength thermal-optical carbon analyzer

    NASA Astrophysics Data System (ADS)

    Sumlin, Benjamin J.

    A multiwavelength thermal/optical carbon analyzer (DRI Model 2015) equipped with a novel seven-wavelength light source (405, 445, 532, 635, 780, 808, and 980 nm) was developed to analyze chemical and optical properties of carbonaceous particles collected on quartz-fiber filters. Built upon on the DRI Model 2001 carbon analyzer at 633 nm, major modifications were made to mechanical and electrical components, flow control, and the carbon detector to adopt modern technologies, increase instrument reliability, and reduce costs and maintenance. This instrument quantifies organic and elemental carbon (OC and EC, respectively) and their thermal fractions. It also allows estimation of the amount of brown and black carbon (BrC and BC, respectively) on filters. Continuous monitoring of the light reflected from and transmitted through the filter along with carbon evolved from the filter when heated to different temperatures under either inert or oxidizing gas environments provides insights into the optical properties of the carbon released from the filter; it also allows examination of the charring process as pyrolyzed char has been one of the major uncertainties in quantifying OC and EC. The objectives of this study are: 1) characterize the Model 2015's performance parameters including detection limits, and optical behavior; 2) establish performance equivalence between the Model 2015 and Model 2001 DRI carbon analyzers when comparing similar laser wavelength to maintain consistency for long-term network sample analysis; and 3) conduct a preliminary analysis of the multiwavelength signal to estimate BrC and BC, and to optimize char correction. A selection of samples, including standard chemicals, as well as rural and urban ambient filter samples were measured by both the Model 2015 and Model 2001 analyzers. The design and construction experience will be discussed, as well as recommended future scientific research and engineering development.

  2. The 1km estimation of Vegetation carbon budgets in South Korea using a terrestrial ecosystem model

    NASA Astrophysics Data System (ADS)

    Yoo, S.; Ito, A.; Lee, W.; Son, Y.; Kwak, D.; Oh, S.; Song, Y.; Lee, S.; Choi, S.

    2012-12-01

    Terrestrial ecosystem can store atmospheric carbon dioxide (CO2), one of the major factors of global warming, in vegetation and soils through photosynthesis process. Human induced CO2 emission has been rapidly increased by industrialization. On the current situation, Terrestrial ecosystem could be regarded as one of the major sinks of CO2 for mitigating global warming. So it is very important to quantify carbon dynamics and budget for preparing adaptation measures to climate change. Terrestrial ecosystem models have been developed and used for investigating the terrestrial carbon dynamics and quantifying budget. In this study, we simulated biogeochemistry model, VISIT, in whole South Korea territory to quantify ecosystem carbon budgets. Before simulating this model, we modified model parameters such as maximum photosynthetic rate and phonological parameters with flux measurement data. And then, we prepared high resolution input variables for simulation from reliable national source. As a result, the model estimated the vegetation ecosystems in South Korea are a net carbon sink, with a value of 3.51 Tg C year-1 during the period 1999-2008. Compared with the anthropogenic emission of South Korea, vegetation ecosystems offset 3.3% of human emissions. Spatially, evident latitudinal and topographical gradients were found in all estimates over entire areas due to the environmental difference surrounding ecosystems. In addition, seasonal and inter-annual variability could be found in the estimates, especially biomass growth and carbon uptake, in consequence of the variation of annual weather conditions. However, to achieve a reliable estimate of a carbon budget, the result should be examined and validated carefully by the independent approaches. And also, to overcome the uncertainties in the simulation model, we need to develop a method for consideration of disturbances, such as land-use change, fertilizing, timber production, and air pollution. This modeling approach can

  3. Carbon accounting of forest bioenergy: from model calibrations to policy options (Invited)

    NASA Astrophysics Data System (ADS)

    Lamers, P.

    2013-12-01

    knowledge in the field by comparing different state-of-the-art temporal forest carbon modeling efforts, and discusses whether or to what extent a deterministic ';carbon debt' accounting is possible and appropriate. It concludes upon the possible scientific and eventually political choices in temporal carbon accounting for regulatory frameworks including alternative options to address unintentional carbon losses within forest ecosystems/bioenergy systems.

  4. Systematic Assessment of Terrestrial Biogeochemistry in Coupled Climate-Carbon Models

    SciTech Connect

    Randerson, Jim; Hoffman, Forrest M; Thornton, Peter E; Mahowald, Natalie; Lindsay, Keith; Lee, Jeff; Nevison, Cynthia; Doney, Scott C.; Bonan, Gordon; Stockli, Reto; Covey, Curtis; Running, Steven; Fung, Inez

    2009-01-01

    With representation of the global carbon cycle becoming increasingly complex in climate models, it is important to develop ways to quantitatively evaluate model performance against in situ and remote sensing observations. Here we present a systematic framework, the Carbon-LAnd Model Intercomparison Project (C-LAMP), for assessing terrestrial biogeochemistry models coupled to climate models using observations that span a wide range of temporal and spatial scales. As an example of the value of such comparisons, we used this framework to evaluate two biogeochemistry models that are integrated within the Community Climate System Model (CCSM) - Carnegie-Ames-Stanford Approach (CASA) and carbon-nitrogen (CN). Both models underestimated the magnitude of net carbon uptake during the growing season in temperate and boreal forest ecosystems, based on comparison with atmospheric CO{sub 2} measurements and eddy covariance measurements of net ecosystem exchange. Comparison with MODerate Resolution Imaging Spectroradiometer (MODIS) measurements show that this low bias in model fluxes was caused, at least in part, by 1-3 month delays in the timing of maximum leaf area. In the tropics, the models overestimated carbon storage in woody biomass based on comparison with datasets from the Amazon. Reducing this model bias will probably weaken the sensitivity of terrestrial carbon fluxes to both atmospheric CO{sub 2} and climate. Global carbon sinks during the 1990s differed by a factor of two (2.4 Pg C yr{sup -1} for CASA vs. 1.2 Pg C yr{sup -1} for CN), with fluxes from both models compatible with the atmospheric budget given uncertainties in other terms. The models captured some of the timing of interannual global terrestrial carbon exchange during 1988-2004 based on comparison with atmospheric inversion results from TRANSCOM (r=0.66 for CASA and r=0.73 for CN). Adding (CASA) or improving (CN) the representation of deforestation fires may further increase agreement with the

  5. Micromechanics Modeling of Functionally Graded Interphase Regions in Carbon Nanotube-Polymer Composites

    NASA Technical Reports Server (NTRS)

    Seidel, Gary D.; Lagoudas, Dimitris C.; Frankland, Sarah Jane V.; Gates, Thomas S.

    2006-01-01

    The effective elastic properties of a unidirectional carbon fiber/epoxy lamina in which the carbon fibers are coated with single-walled carbon nanotubes are modeled herein through the use of a multi-scale method involving the molecular dynamics/equivalent continuum and micromechanics methods. The specific lamina representative volume element studied consists of a carbon fiber surrounded by a region of epoxy containing a radially varying concentration of carbon nanotubes which is then embedded in the pure epoxy matrix. The variable concentration of carbon nanotubes surrounding the carbon fiber results in a functionally graded interphase region as the properties of the interphase region vary according to the carbon nanotube volume fraction. Molecular dynamics and equivalent continuum methods are used to assess the local effective properties of the carbon nanotube/epoxy comprising the interphase region. Micromechanics in the form of the Mori-Tanaka method are then applied to obtain the global effective properties of the graded interphase region wherein the carbon nanotubes are randomly oriented. Finally, the multi-layer composite cylinders micromechanics approach is used to obtain the effective lamina properties from the lamina representative volume element. It was found that even very small quantities of carbon nanotubes (0.36% of lamina by volume) coating the surface of the carbon fibers in the lamina can have a significant effect (8% increase) on the transverse properties of the lamina (E22, k23, G23 and G12) with almost no affect on the lamina properties in the fiber direction (E11 and v12).

  6. Simulating crop phenology in the Community Land Model and its impact on energy and carbon fluxes

    Technology Transfer Automated Retrieval System (TEKTRAN)

    A reasonable representation of crop phenology and biophysical processes in land surface models is necessary to accurately simulate energy, water and carbon budgets at the field, regional, and global scales. However, the evaluation of crop models that can be coupled to earth system models is relative...

  7. Multiple model approach to evaluation of accelerated carbonation for steelmaking slag in a slurry reactor.

    PubMed

    Pan, Shu-Yuan; Liu, Hsing-Lu; Chang, E-E; Kim, Hyunook; Chen, Yi-Hung; Chiang, Pen-Chi

    2016-07-01

    Basic oxygen furnace slag (BOFS) exhibits highly alkaline properties due to its high calcium content, which is beneficial to carbonation reaction. In this study, accelerated carbonation of BOFS was evaluated under different reaction times, temperatures, and liquid-to-solid (L/S) ratios in a slurry reactor. CO2 mass balance within the slurry reactor was carried out to validate the technical feasibility of fixing gaseous CO2 into solid precipitates. After that, a multiple model approach, i.e., theoretical kinetics and empirical surface model, for carbonation reaction was presented to determine the maximal carbonation conversion of BOFS in a slurry reactor. On one hand, the reaction kinetics of BOFS carbonation was evaluated by the shrinking core model (SCM). Calcite (CaCO3) was identified as a reaction product through the scanning electronic microscopy and X-ray diffraction analyses, which provided the rationale of applying the SCM in this study. The rate-limiting step of carbonation was found to be ash-diffusion controlled, and the effective diffusivity for carbonation of BOFS in a slurry reactor were determined accordingly. On the other hand, the carbonation conversion of BOFS was predicted by the response surface methodology (RSM) via a nonlinear mathematical programming. According to the experimental data, the highest carbonation conversion of BOFS achieved was 57% under an L/S ratio of 20 mL g(-1), a CO2 flow rate of 0.1 L min(-1), and a pressure of 101.3 kPa at 50 °C for 120 min. Furthermore, the applications and limitations of SCM and RSM were examined and exemplified by the carbonation of steelmaking slags.

  8. Modeling Carbon Dioxide, pH and Un-Ionized Ammonia Relationships in Serial Reuse Systems

    USGS Publications Warehouse

    Watten, Barnaby J.; Rust, Michael; Colt, John

    2009-01-01

    In serial reuse systems, excretion of metabolic carbon dioxide has a significant impact on ambient pH, carbon dioxide, and un-ionized ammonia concentrations. This impact depends strongly on alkalinity, water flow rate, feeding rate, and loss of carbon dioxide to the atmosphere. A reduction in pH from metabolic carbon dioxide can significantly reduce the un-ionized ammonia concentration and increase the carbon dioxide concentrations compared to those parameters computed from influent pH. The ability to accurately predict pH in serial reuse systems is critical to their design and effective operation. A trial and error solution to the alkalinity–pH system was used to estimate important water quality parameters in serial reuse systems. Transfer of oxygen and carbon dioxide across the air–water interface, at overflow weirs, and impacts of substrate-attached algae and suspended bacteria were modeled. Gas transfer at the weirs was much greater than transfer across the air–water boundary. This simulation model can rapidly estimate influent and effluent concentrations of dissolved oxygen, carbon dioxide, and un-ionized ammonia as a function of water temperature, elevation, water flow, and weir type. The accuracy of the estimates strongly depends on assumed pollutional loading rates and gas transfer at the weirs. The current simulation model is based on mean daily loading rates; the impacts of daily variation loading rates are discussed. Copies of the source code and executable program are available free of charge.

  9. Modeling carbon dioxide, pH, and un-ionized ammonia relationships in serial reuse systems

    USGS Publications Warehouse

    Colt, J.; Watten, B.; Rust, M.

    2009-01-01

    In serial reuse systems, excretion of metabolic carbon dioxide has a significant impact on ambient pH, carbon dioxide, and un-ionized ammonia concentrations. This impact depends strongly on alkalinity, water flow rate, feeding rate, and loss of carbon dioxide to the atmosphere. A reduction in pH from metabolic carbon dioxide can significantly reduce the un-ionized ammonia concentration and increase the carbon dioxide concentrations compared to those parameters computed from influent pH. The ability to accurately predict pH in serial reuse systems is critical to their design and effective operation. A trial and error solution to the alkalinity-pH system was used to estimate important water quality parameters in serial reuse systems. Transfer of oxygen and carbon dioxide across the air-water interface, at overflow weirs, and impacts of substrate-attached algae and suspended bacteria were modeled. Gas transfer at the weirs was much greater than transfer across the air-water boundary. This simulation model can rapidly estimate influent and effluent concentrations of dissolved oxygen, carbon dioxide, and un-ionized ammonia as a function of water temperature, elevation, water flow, and weir type. The accuracy of the estimates strongly depends on assumed pollutional loading rates and gas transfer at the weirs. The current simulation model is based on mean daily loading rates; the impacts of daily variation loading rates are discussed. Copies of the source code and executable program are available free of charge.

  10. Carbon Management and Decision Support Systems for the CASA Ecosystem Model

    NASA Astrophysics Data System (ADS)

    Klooster, S.; Potter, C.; Fladeland, M.; Genovese, V.; Kramer, M.

    2003-12-01

    Ecosystem modeling and satellite remote sensing can link human activities such as land use change and forest management to the spatial distribution of carbon pools and fluxes at regional scales. The main objectives of this research and application are to: 1) evaluate major forest and agricultural sinks of atmospheric carbon dioxide in the U. S. using NASA EOS satellite data and ecosystem modeling, 2) support the U. S. Government interagency program for registration of voluntary greenhouse gas emissions reductions under section 1605(b) of the 1992 Energy Policy Act, and 3) develop an internet-based decision support system (DSS) of carbon sequestration in U. S. ecosystems for users nationwide. We report on the first results of this DSS to assess the impacts of forest stand age on potential carbon sequestration, as predicted by the CASA (Carnegie Ames Stanford Approach) biosphere model. Estimates of carbon storage in woody plant pools are compared before and after adjustment for management of stand age based on U. S. Forest Service map products. These predictions of historical forest carbon storage are subsequently compared to the potential annual increment of ecosystem carbon gain or loss under conditions of future climate variation.

  11. Modelling Cr(VI) removal by a combined carbon-activated sludge system.

    PubMed

    Orozco, A Micaela Ferro; Contreras, Edgardo M; Zaritzky, Noemí E

    2008-01-15

    The combined carbon-activated sludge process has been proposed as an alternative to protect the biomass against toxic substances in wastewaters; however, the information about the effect of powdered-activated carbon (PAC) addition in activated sludge reactors for the treatment of wastewaters containing Cr(VI) is limited. The objectives of the present study were: (a) to evaluate the removal of hexavalent chromium by (i) activated sludge microorganisms in aerobic batch reactors, (ii) powdered-activated carbon, and (iii) the combined action of powdered-activated carbon and biomass; (b) to propose mathematical models that interpret the experimental results. Different Cr(VI) removal systems were tested: (S1) biomass (activated sludge), (S2) PAC, and (S3) the combined activated carbon-biomass system. A Monod-based mathematical model was used to describe the kinetics of Cr(VI) removal in the system S1. A first-order kinetics with respect to Cr(VI) and PAC respectively, was proposed to model the removal of Cr(VI) in the system S2. Cr(VI) removal in the combined carbon-biomass system (S3) was faster than both Cr(VI) removal using PAC or activated sludge individually. Results showed that the removal of Cr(VI) using the activated carbon-biomass system (S3) was adequately described by combining the kinetic equations proposed for the systems S1 and S2.

  12. A carbon dioxide stripping model for mammalian cell culture in manufacturing scale bioreactors.

    PubMed

    Xing, Zizhuo; Lewis, Amanda M; Borys, Michael C; Li, Zheng Jian

    2016-12-06

    Control of carbon dioxide within the optimum range is important in mammalian bioprocesses at the manufacturing scale in order to ensure robust cell growth, high protein yields, and consistent quality attributes. The majority of bioprocess development work is done in laboratory bioreactors, in which carbon dioxide levels are more easily controlled. Some challenges in carbon dioxide control can present themselves when cell culture processes are scaled up, because carbon dioxide accumulation is a common feature due to longer gas-residence time of mammalian cell culture in large scale bioreactors. A carbon dioxide stripping model can be used to better understand and optimize parameters that are critical to cell culture processes at the manufacturing scale. The prevailing carbon dioxide stripping models in literature depend on mass transfer coefficients and were applicable to cell culture processes with low cell density or at stationary/cell death phase. However, it was reported that gas bubbles are saturated with carbon dioxide before leaving the culture, which makes carbon dioxide stripping no longer depend on a mass transfer coefficient in the new generation cell culture processes characterized by longer exponential growth phase, higher peak viable cell densities, and higher specific production rate. Here, we present a new carbon dioxide stripping model for manufacturing scale bioreactors, which is independent of carbon dioxide mass transfer coefficient, but takes into account the gas-residence time and gas CO2 saturation time. The model was verified by CHO cell culture processes with different peak viable cell densities (7 to 12 × 10(6)  cells mL(-1) ) for two products in 5,000-L and 25,000-L bioreactors. The model was also applied to a next generation cell culture process to optimize cell culture conditions and reduce carbon dioxide levels at manufacturing scale. The model provides a useful tool to understand and better control cell culture carbon dioxide

  13. Modelling the role of fires in the terrestrial carbon balance by incorporating SPITFIRE into the global vegetation model ORCHIDEE - Part 2: Carbon emissions and the role of fires in the global carbon balance

    NASA Astrophysics Data System (ADS)

    Yue, C.; Ciais, P.; Cadule, P.; Thonicke, K.; van Leeuwen, T. T.

    2014-12-01

    Carbon dioxide emissions from wild and anthropogenic fires return the carbon absorbed by plants to the atmosphere, and decrease the sequestration of carbon by land ecosystems. Future climate warming will likely increase the frequency of fire-triggering drought; so that the future terrestrial carbon uptake will depend on how fires respond to altered climate variation. In this study, we modelled the role of fires in the global terrestrial carbon balance for 1901-2012, using the global vegetation model ORCHIDEE equipped with the SPITFIRE model. We conducted two simulations with and without the fire module being activated, with a static land cover. The simulated global fire carbon emissions for 1997-2009 are 2.1 Pg C yr-1, which is close to the 2.0 Pg C yr-1 as given by the GFED3.1 data. The simulated land carbon uptake after accounting for emissions for 2003-2012 is 3.1Pg C yr-1, within the uncertainty of the residual carbon sink estimation (2.8 ± 0.8 Pg C yr-1). Fires are found to reduce the terrestrial carbon uptake by 0.32 Pg C yr-1 over 1901-2012, that is 20% of the total carbon sink in a world without fire. The fire-induced land sink reduction (SRfire) is significantly correlated with climate variability, with larger sink reduction occurring in warm and dry years, in particular during El Niño events. Our results suggest a symmetrical "respiration equivalence" by fires. During the ten lowest SRfire years (SRfire = 0.17 Pg C yr-1), fires mainly compensate the heterotrophic respiration that would happen if no fires had occurred. By contrast, during the ten highest SRfire fire years (SRfire = 0.49 Pg C yr-1), fire emissions exceed their "respiration equivalence" and create a substantial reduction in terrestrial carbon uptake. Our finding has important implication for the future role of fires in the terrestrial carbon balance, because the capacity of terrestrial ecosystems to sequester carbon will be diminished by future climate change characterized by increased

  14. Modelling the role of fires in the terrestrial carbon balance by incorporating SPITFIRE into the global vegetation model ORCHIDEE - Part 2: Carbon emissions and the role of fires in the global carbon balance

    NASA Astrophysics Data System (ADS)

    Yue, C.; Ciais, P.; Cadule, P.; Thonicke, K.; van Leeuwen, T. T.

    2015-05-01

    Carbon dioxide emissions from wild and anthropogenic fires return the carbon absorbed by plants to the atmosphere, and decrease the sequestration of carbon by land ecosystems. Future climate warming will likely increase the frequency of fire-triggering drought, so that the future terrestrial carbon uptake will depend on how fires respond to altered climate variation. In this study, we modelled the role of fires in the global terrestrial carbon balance for 1901-2012, using the ORCHIDEE global vegetation model equipped with the SPITFIRE model. We conducted two simulations with and without the fire module being activated, using a static land cover. The simulated global fire carbon emissions for 1997-2009 are 2.1 Pg C yr-1, which is close to the 2.0 Pg C yr-1 as estimated by GFED3.1. The simulated land carbon uptake after accounting for emissions for 2003-2012 is 3.1 Pg C yr-1, which is within the uncertainty of the residual carbon sink estimation (2.8 ± 0.8 Pg C yr-1). Fires are found to reduce the terrestrial carbon uptake by 0.32 Pg C yr-1 over 1901-2012, or 20% of the total carbon sink in a world without fire. The fire-induced land sink reduction (SRfire) is significantly correlated with climate variability, with larger sink reduction occurring in warm and dry years, in particular during El Niño events. Our results suggest a "fire respiration partial compensation". During the 10 lowest SRfire years (SRfire = 0.17 Pg C yr-1), fires mainly compensate for the heterotrophic respiration that would occur in a world without fire. By contrast, during the 10 highest SRfire fire years (SRfire = 0.49 Pg C yr-1), fire emissions far exceed their respiration partial compensation and create a larger reduction in terrestrial carbon uptake. Our findings have important implications for the future role of fires in the terrestrial carbon balance, because the capacity of terrestrial ecosystems to sequester carbon will be diminished by future climate change characterized by increased

  15. Adaptive data-driven models for estimating carbon fluxes in the Northern Great Plains

    USGS Publications Warehouse

    Wylie, B.K.; Fosnight, E.A.; Gilmanov, T.G.; Frank, A.B.; Morgan, J.A.; Haferkamp, Marshall R.; Meyers, T.P.

    2007-01-01

    Rangeland carbon fluxes are highly variable in both space and time. Given the expansive areas of rangelands, how rangelands respond to climatic variation, management, and soil potential is important to understanding carbon dynamics. Rangeland carbon fluxes associated with Net Ecosystem Exchange (NEE) were measured from multiple year data sets at five flux tower locations in the Northern Great Plains. These flux tower measurements were combined with 1-km2 spatial data sets of Photosynthetically Active Radiation (PAR), Normalized Difference Vegetation Index (NDVI), temperature, precipitation, seasonal NDVI metrics, and soil characteristics. Flux tower measurements were used to train and select variables for a rule-based piece-wise regression model. The accuracy and stability of the model were assessed through random cross-validation and cross-validation by site and year. Estimates of NEE were produced for each 10-day period during each growing season from 1998 to 2001. Growing season carbon flux estimates were combined with winter flux estimates to derive and map annual estimates of NEE. The rule-based piece-wise regression model is a dynamic, adaptive model that captures the relationships of the spatial data to NEE as conditions evolve throughout the growing season. The carbon dynamics in the Northern Great Plains proved to be in near equilibrium, serving as a small carbon sink in 1999 and as a small carbon source in 1998, 2000, and 2001. Patterns of carbon sinks and sources are very complex, with the carbon dynamics tilting toward sources in the drier west and toward sinks in the east and near the mountains in the extreme west. Significant local variability exists, which initial investigations suggest are likely related to local climate variability, soil properties, and management.

  16. Modeling Soil Organic Carbon for Agricultural Land Use Under Various Management Practices

    NASA Astrophysics Data System (ADS)

    Kotamarthi, V. R.; Drewniak, B.; Song, J.; Prell, J.; Jacob, R. L.

    2009-12-01

    Bioenergy is generating tremendous interest as an alternative energy source that is both environmentally friendly and economically competitive. The amount of land designated for agriculture is expected to expand, including changes in the current distribution of crops, as demand for biofuels increases as a carbon neutral alternative fuel source. However, the influence of agriculture on the carbon cycle is complex, and varies depending on land use change and management practices. The purpose of this research is to integrate agriculture in the carbon-nitrogen based Community Land Model (CLM) to evaluate the above and below ground carbon storage for corn, soybean, and wheat crop lands. The new model, CLM-Crop simulates carbon allocation during four growth stages, a soybean nitrogen fixation scheme, fertilizer, and harvest practices. We present results from this model simulation, which includes the impact of a new dynamic roots module to simulate the changing root structure and depth with growing season based on the availability of water and nitrogen in the root zone and a retranslocation scheme to simulate redistribution of nitrogen from leaves, roots, and stems to grain during organ development for crop yields, leaf area index (LAI), carbon allocation, and changes in soil carbon budgets under various practices such as fertilizer and residue management. Simulated crop yields for corn, soybean and wheat are in general agreement with measurements. Initial model results indicate a loss of soil organic carbon over cultivated lands after removal of natural vegetation which continues in the following years. Soil carbon in crop lands is a strong function of the residue management and has the potential to impact crop yields significantly.

  17. Conceptual design of an integrated technology model for carbon policy assessment.

    SciTech Connect

    Backus, George A.; Dimotakes, Paul E.

    2011-01-01

    This report describes the conceptual design of a technology choice model for understanding strategies to reduce carbon intensity in the electricity sector. The report considers the major modeling issues affecting technology policy assessment and defines an implementable model construct. Further, the report delineates the basis causal structure of such a model and attempts to establish the technical/algorithmic viability of pursuing model development along with the associated analyses.

  18. Advanced integrated modeling and measurement: The global carbon cycle

    SciTech Connect

    Duffy, P. B.

    1998-06-01

    Most of the carbon dioxide added to the atmosphere by human activities comes from burning fossil fuels Only about half the CO2 we release into the atmosphere remains there, however, and the fate of the CO2 that does not remain in the atmosphere is uncertain As carbon dioxidecomes in contact with the sea surface it may be absorbed into the ocean, and as it comes in contact with the leaves of plants it may be absorbed and transformed into plant tissue, but the rates at which the sea or land plants can absorb CO2 are poorly characterized Hence, there is a great deal of uncertainty as to how much of the CO2 we release today will be found in the ocean, or in land plants, or in the atmosphere 10, 20 or 100 years from now The nanowing of these uncertainties is essential to making reliable predictions of the climate consequences of fossil fuel burning and deforestation

  19. Application of Non-Deterministic Methods to Assess Modeling Uncertainties for Reinforced Carbon-Carbon Debris Impacts

    NASA Technical Reports Server (NTRS)

    Lyle, Karen H.; Fasanella, Edwin L.; Melis, Matthew; Carney, Kelly; Gabrys, Jonathan

    2004-01-01

    The Space Shuttle Columbia Accident Investigation Board (CAIB) made several recommendations for improving the NASA Space Shuttle Program. An extensive experimental and analytical program has been developed to address two recommendations related to structural impact analysis. The objective of the present work is to demonstrate the application of probabilistic analysis to assess the effect of uncertainties on debris impacts on Space Shuttle Reinforced Carbon-Carbon (RCC) panels. The probabilistic analysis is used to identify the material modeling parameters controlling the uncertainty. A comparison of the finite element results with limited experimental data provided confidence that the simulations were adequately representing the global response of the material. Five input parameters were identified as significantly controlling the response.

  20. Evaluating carbon fluxes of global forest ecosystems by using an individual tree-based model FORCCHN.

    PubMed

    Ma, Jianyong; Shugart, Herman H; Yan, Xiaodong; Cao, Cougui; Wu, Shuang; Fang, Jing

    2017-05-15

    The carbon budget of forest ecosystems, an important component of the terrestrial carbon cycle, needs to be accurately quantified and predicted by ecological models. As a preamble to apply the model to estimate global carbon uptake by forest ecosystems, we used the CO2 flux measurements from 37 forest eddy-covariance sites to examine the individual tree-based FORCCHN model's performance globally. In these initial tests, the FORCCHN model simulated gross primary production (GPP), ecosystem respiration (ER) and net ecosystem production (NEP) with correlations of 0.72, 0.70 and 0.53, respectively, across all forest biomes. The model underestimated GPP and slightly overestimated ER across most of the eddy-covariance sites. An underestimation of NEP arose primarily from the lower GPP estimates. Model performance was better in capturing both the temporal changes and magnitude of carbon fluxes in deciduous broadleaf forest than in evergreen broadleaf forest, and it performed less well for sites in Mediterranean climate. We then applied the model to estimate the carbon fluxes of forest ecosystems on global scale over 1982-2011. This application of FORCCHN gave a total GPP of 59.41±5.67 and an ER of 57.21±5.32PgCyr(-1) for global forest ecosystems during 1982-2011. The forest ecosystems over this same period contributed a large carbon storage, with total NEP being 2.20±0.64PgCyr(-1). These values are comparable to and reinforce estimates reported in other studies. This analysis highlights individual tree-based model FORCCHN could be used to evaluate carbon fluxes of forest ecosystems on global scale.

  1. Basin-scale Modeling of Geological Carbon Sequestration: Model Complexity, Injection Scenario and Sensitivity Analysis

    NASA Astrophysics Data System (ADS)

    Huang, X.; Bandilla, K.; Celia, M. A.; Bachu, S.

    2013-12-01

    Geological carbon sequestration can significantly contribute to climate-change mitigation only if it is deployed at a very large scale. This means that injection scenarios must occur, and be analyzed, at the basin scale. Various mathematical models of different complexity may be used to assess the fate of injected CO2 and/or resident brine. These models span the range from multi-dimensional, multi-phase numerical simulators to simple single-phase analytical solutions. In this study, we consider a range of models, all based on vertically-integrated governing equations, to predict the basin-scale pressure response to specific injection scenarios. The Canadian section of the Basal Aquifer is used as a test site to compare the different modeling approaches. The model domain covers an area of approximately 811,000 km2, and the total injection rate is 63 Mt/yr, corresponding to 9 locations where large point sources have been identified. Predicted areas of critical pressure exceedance are used as a comparison metric among the different modeling approaches. Comparison of the results shows that single-phase numerical models may be good enough to predict the pressure response over a large aquifer; however, a simple superposition of semi-analytical or analytical solutions is not sufficiently accurate because spatial variability of formation properties plays an important role in the problem, and these variations are not captured properly with simple superposition. We consider two different injection scenarios: injection at the source locations and injection at locations with more suitable aquifer properties. Results indicate that in formations with significant spatial variability of properties, strong variations in injectivity among the different source locations can be expected, leading to the need to transport the captured CO2 to suitable injection locations, thereby necessitating development of a pipeline network. We also consider the sensitivity of porosity and

  2. Guideline for modeling carbon monoxide from roadway intersections

    SciTech Connect

    DiCristofaro, D.C.

    1992-11-01

    The guideline is designed to evaluate air quality impacts at one or more roadway intersections where vehicular traffic will cause or contribute to increased emissions of carbon monoxide (CO). The explicit purpose of the guideline is to provide a consistent, scientifically acceptable method for estimating the air quality impacts of vehicular traffic at intersections to determine if such impacts may exceed the National Ambient Air Quality Standards (NAAQS) for CO.

  3. [Transformation of carbonate minerals in a cyano-bacterial mat in the course of laboratory modeling].

    PubMed

    Zaĭtseva, L V; Orleanskiĭ, V K; Alekseev, A O; Ushatinskaia, G T; Gerasimenko, L M

    2007-01-01

    A laboratory model of a cyano-bacterial mat with mineral layers of carbonates was used to examine the dynamics of the transformation of calcium-magnesium carbonate under the conditions of a soda lake. The activity of various organisms of the cyanobacterial community results in conditions under which the Ca-Mg carbonate precipitate undergoes changes. The crystal lattice of the initial carbonate is restructured; its mineralogical composition changes depending on the conditions of the mat. In magnesium calcites, which are formed under such low-temperature conditions, a rudimentary cation adjustment can occur with the formation of dolomite domains. These experiments confirm the hypothesis that the dolomite found in stromatolites is of a secondary origin and can be formed in the course of transformation of Ca-Mg carbonates under alkaline conditions in an alkaliphilic cyanobacterial community.

  4. A Satellite Based Modeling Framework for Estimating Seasonal Carbon Fluxes Over Agricultural Lands

    NASA Astrophysics Data System (ADS)

    Bandaru, V.; Izaurralde, R. C.; Sahajpal, R.; Houborg, R.; Milla, Z.

    2013-12-01

    Croplands are typically characterized by fine-scale heterogeneity, which makes it difficult to accurately estimate cropland carbon fluxes over large regions given the fairly coarse spatial resolution of high-frequency satellite observations. It is, however, important that we improve our ability to estimate spatially and temporally resolved carbon fluxes because croplands constitute a large land area and have a large impact on global carbon cycle. A Satellite based Dynamic Cropland Carbon (SDCC) modeling framework was developed to estimate spatially resolved crop specific daily carbon fluxes over large regions. This modeling framework uses the REGularized canopy reFLECtance (REGFLEC) model to estimate crop specific leaf area index (LAI) using downscaled MODIS reflectance data, and subsequently LAI estimates are integrated into the Environmental Policy Integrated Model (EPIC) model to determine daily net primary productivity (NPP) and net ecosystem productivity (NEP). Firstly, we evaluate the performance of this modeling framework over three eddy covariance flux tower sites (Bondville, IL; Fermi Agricultural Site, IL; and Rosemount site, MN). Daily NPP and NEP of corn and soybean crops are estimated (based on REGFLEC LAI) for year 2007 and 2008 over the flux tower sites and compared against flux tower observations and model estimates based on in-situ LAI. Secondly, we apply the SDCC framework for estimating regional NPP and NEP for corn, soybean and sorghum crops in Nebraska during year 2007 and 2008. The methods and results will be presented.

  5. A Satellite Based Modeling Framework for Estimating Seasonal Carbon Fluxes Over Agricultural Lands

    NASA Astrophysics Data System (ADS)

    Bandaru, V.; Houborg, R.; Izaurralde, R. C.

    2014-12-01

    Croplands are typically characterized by fine-scale heterogeneity, which makes it difficult to accurately estimate cropland carbon fluxes over large regions given the fairly coarse spatial resolution of high-frequency satellite observations. It is, however, important that we improve our ability to estimate spatially and temporally resolved carbon fluxes because croplands constitute a large land area and have a large impact on global carbon cycle. A Satellite based Dynamic Cropland Carbon (SDCC) modeling framework was developed to estimate spatially resolved crop specific daily carbon fluxes over large regions. This modeling framework uses the REGularized canopy reFLECtance (REGFLEC) model to estimate crop specific leaf area index (LAI) using downscaled MODIS reflectance data, and subsequently LAI estimates are integrated into the Environmental Policy Integrated Model (EPIC) model to determine daily net primary productivity (NPP) and net ecosystem productivity (NEP). Firstly, we evaluate the performance of this modeling framework over three eddy covariance flux tower sites (Bondville, IL; Fermi Agricultural Site, IL; and Rosemount site, MN). Daily NPP and NEP of corn and soybean crops are estimated (based on REGFLEC LAI) for year 2007 and 2008 over the flux tower sites and compared against flux tower observations and model estimates based on in-situ LAI. Secondly, we apply the SDCC framework for estimating regional NPP and NEP for corn, soybean and sorghum crops in Nebraska during year 2007 and 2008. The methods and results will be presented.

  6. An Integrated Model of Market-Driven Dynamics of Carbon in Exurban Landscapes

    NASA Astrophysics Data System (ADS)

    Brown, D. G.; Sun, S.; Currie, W.; Nassauer, J. I.; Page, S. E.; Parker, D. C.; Riolo, R. L.; Robinson, D. T.

    2012-12-01

    As coupled human-environment system, exurban land-use systems and their ecological and social outcomes are driven by interactions between the human actors and natural processes at play. Carbon storage in exurban land-use systems is driven by interactions among market forces driving land-use change, developer and resident decisions about land cover and land management, and ecosystem processes affecting ecosystem function. Whether or not vegetation in these landscapes contribute to carbon sinks that mitigate global change, and their future trajectory, depends on dynamics in both human and biophysical processes. Understanding these interactions in a coupled human and natural system might best be advanced by iterating between data collection efforts on various aspects of the system (including the states and changes in the social and natural aspects of the system) and modeling in ways that explicitly represents social and natural processes and their interactions. A challenge is to build models that are both explicable based on existing process knowledge and supportable by existing or newly collected data. We coupled an agent-based model of developer and resident decision making about landscape structure and management with a biogeochemical model of carbon flux and storage to evaluate the drivers of and possible mechanisms to achieve increased carbon storage. Model-based experiments demonstrate the (a) effects of various residential land management strategies on carbon storage, suggesting that removals of litter have a larger effect on overall carbon storage than additions of fertilizer and irrigation; (b) effects of subsidies or payments for increased carbon storage paid to developers can result in choices about development types that result in increased carbon storage, but that the effects are highly sensitive to the price of carbon and the basis for calculating payments. The experiments highlight the need for integrated modeling, but also point to specific needs for

  7. Quantifying peat carbon accumulation in Alaska using a process-based biogeochemistry model

    NASA Astrophysics Data System (ADS)

    Wang, Sirui; Zhuang, Qianlai; Yu, Zicheng; Bridgham, Scott; Keller, Jason K.

    2016-08-01

    This study uses an integrated modeling framework that couples the dynamics of hydrology, soil thermal regime, and ecosystem carbon and nitrogen to quantify the long-term peat carbon accumulation in Alaska during the Holocene. Modeled hydrology, soil thermal regime, carbon pools and fluxes, and methane emissions are evaluated using observation data at several peatland sites in Minnesota, Alaska, and Canada. The model is then applied for a 10,000 year (15 ka to 5 ka; 1 ka = 1000 cal years before present) simulation at four peatland sites. We find that model simulations match the observed carbon accumulation rates at fen sites during the Holocene (R2 = 0.88, 0.87, 0.38, and -0.05 using comparisons in 500 year bins). The simulated (2.04 m) and observed peat depths (on average 1.98 m) were also compared well (R2 = 0.91). The early Holocene carbon accumulation rates, especially during the Holocene thermal maximum (HTM) (35.9 g C m- 2 yr- 1), are estimated up to 6 times higher than the rest of the Holocene (6.5 g C m- 2 yr- 1). Our analysis suggests that high summer temperature and the lengthened growing season resulted from the elevated insolation seasonality, along with wetter-than-before conditions might be major factors causing the rapid carbon accumulation in Alaska during the HTM. Our sensitivity tests indicate that, apart from climate, initial water table depth and vegetatio