36 results on '"Warren G. Lee"'
Search Results
2. Ocean biogeochemistry in the Canadian Earth System Model version 5.0.3: CanESM5 and CanESM5-CanOE
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James R. Christian, Olivier G. J. Riche, Warren G. Lee, Andrew Shao, Hakase Hayashida, Amber M. Holdsworth, Neil C. Swart, Nadja Steiner, and Kenneth L. Denman
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Coupled model intercomparison project ,Detritus ,Iron cycle ,Phytoplankton ,Ocean current ,Environmental science ,Biogeochemistry ,Marine ecosystem ,General Medicine ,Atmospheric sciences ,Zooplankton - Abstract
The ocean biogeochemistry components of two new versions of the Canadian Earth System Model (CanESM) are presented and compared to observations and other models. CanESM5 employs the same ocean biology model as CanESM2, whereas CanESM5-CanOE (Canadian Ocean Ecosystem model) is a new, more complex model developed for CMIP6, with multiple food chains, flexible phytoplankton elemental ratios, and a prognostic iron cycle. This new model is described in detail and the outputs (distributions of major tracers such as oxygen, dissolved inorganic carbon, and alkalinity, the iron and nitrogen cycles, plankton biomass, and historical trends in CO2 uptake and export production) compared to CanESM5 and CanESM2, as well as to observations and other CMIP6 models. Both CanESM5 models show gains in skill relative to CanESM2, which are attributed primarily to improvements in ocean circulation. CanESM5-CanOE shows improved skill relative to CanESM5 for most major tracers at most depths. CanESM5-CanOE includes a prognostic iron cycle, and maintains high-nutrient/low-chlorophyll conditions in the expected regions (in CanESM2 and CanESM5, iron limitation is specified as a temporally static “mask”). Surface nitrate concentrations are biased low in the subarctic Pacific and equatorial Pacific, and high in the Southern Ocean, in both CanESM5 and CanESM5-CanOE. Export production in CanESM5-CanOE is among the lowest for CMIP6 models; in CanESM5, it is among the highest, but shows the most rapid decline after about 1980. CanESM5-CanOE shows some ability to simulate aspects of plankton community structure that a single-species model can not (e.g. seasonal dominance of large cells) but is biased towards low concentrations of zooplankton and detritus relative to phytoplankton. Cumulative ocean uptake of anthropogenic carbon dioxide through 2014 is lower in both CanESM5-CanOE (122 PgC) and CanESM5 (132 PgC) than in observation-based estimates (145 PgC) or the model ensemble mean (144 PgC).
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- 2021
3. The influence of non-CO2 forcings on cumulative carbon emissions budgets
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Katarzyna B Tokarska, Nathan P Gillett, Vivek K Arora, Warren G Lee, and Kirsten Zickfeld
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carbon budgets ,temperature targets ,cumulative emissions ,non-CO2 forcings ,CMIP5 ,Environmental technology. Sanitary engineering ,TD1-1066 ,Environmental sciences ,GE1-350 ,Science ,Physics ,QC1-999 - Abstract
Carbon budgets provide a useful tool for policymakers to help meet the global climate targets, as they specify total allowable carbon emissions consistent with limiting warming to a given temperature threshold. Non-CO _2 forcings have a net warming effect in the Representative Concentration Pathways (RCP) scenarios, leading to reductions in remaining carbon budgets based on CO _2 forcing alone. Carbon budgets consistent with limiting warming to below 2.0 °C, with and without accounting for the effects of non-CO _2 forcings, were assessed in inconsistent ways by the Intergovernmental Panel on Climate Change (IPCC), making the effects of non-CO _2 forcings hard to identify. Here we use a consistent approach to compare 1.5 °C and 2.0 °C carbon budgets with and without accounting for the effects of non-CO _2 forcings, using CO _2 -only and RCP8.5 simulations. The median allowable carbon budgets for 1.5 °C and 2.0 °C warming are reduced by 257 PgC and 418 PgC, respectively, and the uncertainty ranges on the budgets are reduced by more than a factor of two when accounting for the net warming effects of non-CO _2 forcings. While our overall results are consistent with IPCC, we use a more robust methodology, and explain the narrower uncertainty ranges of carbon budgets when non-CO _2 forcings are included. We demonstrate that most of the reduction in carbon budgets is a result of the direct warming effect of the non-CO _2 forcings, with a secondary contribution from the influence of the non-CO _2 forcings on the carbon cycle. Such carbon budgets are expected to play an increasingly important role in climate change mitigation, thus understanding the influence of non-CO _2 forcings on these budgets and their uncertainties is critical.
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- 2018
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4. A Hardware-Accelerated Quantum Monte Carlo framework (HAQMC) for N-body systems
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Gothandaraman, Akila, Peterson, Gregory D., Warren, G. Lee, Hinde, Robert J., and Harrison, Robert J.
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- 2009
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5. The Canadian Earth System Model version 5 (CanESM5.0.3)
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Neil C. Swart, Jason N. S. Cole, Viatcheslav V. Kharin, Mike Lazare, John F. Scinocca, Nathan P. Gillett, James Anstey, Vivek Arora, James R. Christian, Sarah Hanna, Yanjun Jiao, Warren G. Lee, Fouad Majaess, Oleg A. Saenko, Christian Seiler, Clint Seinen, Andrew Shao, Larry Solheim, Knut von Salzen, Duo Yang, and Barbara Winter
- Abstract
The Canadian Earth System Model version 5 (CanESM5) is a global model developed to simulate historical climate change and variability, to make centennial scale projections of future climate, and to produce initialized seasonal and decadal predictions. This paper describes the model components and their coupling, as well as various aspects of model development, including tuning, optimization and a reproducibility strategy. We also document the stability of the model using a long control simulation, quantify the model's ability to reproduce large scale features of the historical climate, and evaluate the response of the model to external forcing. CanESM5 is comprised of three dimensional atmosphere (T63 spectral resolution/2.8°) and ocean (nominally 1°) general circulation models, a sea ice model, a land surface scheme, and explicit land and ocean carbon cycle models. The model features relatively coarse resolution and high throughput, which facilitates the production of large ensembles. CanESM5 has a notably higher equilibrium climate sensitivity (5.7 K) than its predecessor CanESM2 (3.8 K), which we briefly discuss, along with simulated changes over the historical period. CanESM5 simulations are contributing to the Coupled Model Intercomparison Project Phase 6 (CMIP6), and will be employed for climate science and service applications in Canada.
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- 2019
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6. Origin and control of superlinear polarizability scaling in chemical potential equalization methods.
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Warren, G. Lee, Davis, Joseph E., and Patel, Sandeep
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POLARIZABILITY (Electricity) , *ION exchange (Chemistry) , *CHARGE transfer , *ELECTRONS , *COLLISIONS (Nuclear physics) , *ALKANES - Abstract
Many common chemical potential equalization (μEq) methods are known to suffer from a superlinear scaling of the polarizability with increasing molecular size that interferes with model transferability and prevents the straightforward application of these methods to large, biochemically relevant molecules. In the present work, we systematically investigate the origins of this scaling and the mechanisms whereby some existing methods successfully temper the scaling. We demonstrate several types of topological charge constraints distinct from the usual single molecular charge constraint that can successfully achieve linear polarizability scaling in atomic charge based equilibration models. We find the use of recently employed charge conservation constraints tied to small molecular units to be an effective and practical approach for modulating the polarizability scaling in atomic μEq schemes. We also analyze the scaling behavior of several μEq schemes in the bond representation and derive closed-form expressions for the polarizability scaling in a linear atomic chain model; for a single molecular charge constraint these expressions demonstrate a cubic dependence of the polarizability on molecular size compared with linear scaling obtainable in the case of the atom-atom charge transfer (AACT) and split-charge equilibration (SQE) schemes. Application of our results to the trans N-alkane series reveals that in certain situations, the AACT and SQE schemes can become unstable due to an indefinite Hessian matrix. Consequently, we discuss sufficient criteria for ensuring stability within these schemes. [ABSTRACT FROM AUTHOR]
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- 2008
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7. Enhanced gas fluxes in small sea ice leads and cracks: Effects on CO2exchange and ocean acidification
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Warren G. Lee, James R. Christian, and N. S. Steiner
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Arctic sea ice decline ,geography ,geography.geographical_feature_category ,Effects of global warming on oceans ,Ice-albedo feedback ,Antarctic sea ice ,Oceanography ,Arctic ice pack ,Arctic geoengineering ,Geophysics ,Space and Planetary Science ,Geochemistry and Petrology ,Sea ice thickness ,Earth and Planetary Sciences (miscellaneous) ,Sea ice ,Environmental science - Abstract
[1] Earth system models generally partition grid cells into an ice-covered and an open-water area and view the ice-covered area as a barrier to gas fluxes. However, observations suggest that exchange in cracks and small leads can be much higher in localized areas than expected under similar conditions in open water. While these models project a significant retreat in sea ice cover, affecting air-sea CO 2 exchange and consequently ocean acidification, the simple grid cell partitioning might underestimate the actual CO 2 exchange. A sensitivity study with the Canadian Earth System Model (CanESM2) shows that enhanced CO 2 exchange in sea ice areas in the Arctic Ocean increases the uptake in fall and winter, allowing more continuous equilibration and hence reduced uptake in summer. The reduction in summer also hints at a limited CO 2-uptake capacity of Arctic surface waters. Retreating sea ice in the future leads to a similar shift in the seasonal cycle. The annual mean carbon uptake of the Arctic Ocean north of 68°N changes only slightly with the enhanced flux parameterization (
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- 2013
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8. The Flux-Anomaly-Forced Model Intercomparison Project (FAFMIP) contribution to CMIP6: Investigation of sea-level and ocean climate change in response to CO2 forcing
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Jonathan M. Gregory, Nathaelle Bouttes-Mauhourat, Stephen M. Griffies, Helmuth Haak, William J. Hurlin, Johann Jungclaus, Maxwell Kelley, Warren G. Lee, John Marshall, Anastasia Romanou, Oleg A. Saenko, Detlef Stammer, and Michael Winton
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Physics::Atmospheric and Oceanic Physics ,Physics::Geophysics - Abstract
The Flux-Anomaly-Forced Model Intercomparison Project (FAFMIP) aims to investigate the spread in simulations of sea-level and ocean climate change in response to CO2 forcing by atmosphere-ocean general circulation models (AOGCMs). It is particularly motivated by the uncertainties in projections of ocean heat uptake, global-mean sea-level rise due to thermal expansion and the geographical patterns of sea-level change due to ocean density and circulation change. FAFMIP has three tier-1 experiments, in which prescribed surface flux perturbations of momentum, heat and freshwater respectively are applied to the ocean in separate AOGCM simulations. All other conditions are as in the pre-industrial control. The prescribed fields are typical of pattern and magnitude of changes in these fluxes projected by AOGCMs for doubled CO2 concentration. Five groups have tested the experimental design with existing AOGCMs. Their results show diversity in the pattern and magnitude of changes, with some common qualitative features. Heat and water flux perturbation cause the dipole in sea-level change in the North Atlantic, while momentum and heat flux perturbation cause the gradient across the Antarctic Circumpolar Current. The Atlantic Meridional Overturning Circulation (AMOC) declines in response to the heat flux perturbation, and there is a strong positive feedback on this effect due to the consequent cooling of sea surface temperature in the North Atlantic, which enhances the local heat input to the ocean. The momentum and water flux perturbations do not substantially affect the AMOC. Heat is taken up largely as a passive tracer in the Southern Ocean, which is the region of greatest heat input, but elsewhere heat is actively redistributed towards lower latitude. Future analysis of these and other phenomena with the wider range of CMIP6 FAFMIP AOGCMs will benefit from new diagnostics of temperature and salinity tendencies, which will enable investigation of the model spread in behaviour in terms of physical processes as formulated in the models.
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- 2016
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9. The Combined Effect of Tidally and Eddy-Driven Diapycnal Mixing on the Large-Scale Ocean Circulation
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Warren G. Lee, Xiaoming Zhai, Oleg A. Saenko, and William J. Merryfield
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business.industry ,Turbulence ,Ocean current ,Stratification (water) ,Ocean general circulation model ,Dissipation ,Oceanography ,Atmospheric sciences ,Deep sea ,Physics::Geophysics ,Physics::Fluid Dynamics ,Climatology ,Thermohaline circulation ,business ,Tidal power ,Physics::Atmospheric and Oceanic Physics ,Geology - Abstract
Several recent studies have shown that ocean western boundaries are the primary regions of eddy energy dissipation. Globally, the eddy energy sinks have been estimated to integrate to about 0.2 TW. This is a sizable fraction of the tidal energy dissipation in the deep oceanic interior, estimated at about 1.0 TW and contributing to diapycnal mixing. The authors conduct sensitivity experiments with an ocean general circulation model assuming that the eddy energy is scattered into high-wavenumber vertical modes, resulting in energy dissipation and locally enhanced diapycnal mixing. When only the tidal energy dissipation maintains diapycnal mixing, the overturning circulation, and stratification in the deep ocean are too weak. With the addition of the eddy dissipation, the deep-ocean thermal structure becomes closer to that observed and the overturning circulation and stratification in the abyss become stronger. Furthermore, the mixing associated with the eddy dissipation can, on its own, drive a relatively strong overturning. The stratification and overturning in the deep ocean are sensitive to the vertical structure of diapycnal mixing. When most of this energy dissipates within 300 m above the bottom, the abyssal overturning and stratification are too weak. Allowing for the dissipation to penetrate higher in the water column, such as suggested by recent observations, results in stronger stratification and meridional circulation. Zonal circulation is also affected. In particular, the Drake Passage transport becomes closer to its observational estimates with the increase in the vertical scale for turbulence above topography. Consistent with some theoretical models, the Drake Passage transport increases with the increase in the mean upper-ocean diffusivity.
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- 2012
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10. Electrostatic properties of aqueous salt solution interfaces: a comparison of polarizable and nonpolarizable ion models
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Warren, G. Lee and Patel, Sandeep
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Sodium compounds -- Chemical properties ,Sodium compounds -- Structure ,Aqueous solution reactions -- Research ,Molecular dynamics -- Analysis ,Chemicals, plastics and rubber industries - Abstract
Molecular dynamics simulations with nonpolarizable and Drude-polarizable ion sets were used to study the effects of ion force field polarizability on the interfacial electrostatic properties of aqueous solutions of NaCl, CsCl, and NaI. The strong perturbation in the presence of polarizable ions observed for the orientations and induced dipoles of water molecules are attributed to a stronger ionic double layer effect arising from greater charge separation.
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- 2008
11. Revised charge equilibrium potential for liquid alkanes
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Davis, Joseph E., Warren, G. Lee, and Patel, Sandeep
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Alkanes -- Chemical properties ,Alkanes -- Structure ,Charge transfer -- Analysis ,Chemicals, plastics and rubber industries - Abstract
A revised polarizable force field for alkanes based on the charge equilibrium formalism is described. The revised force field has offered an improved overall description of the properties relative to the original parametrization.
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- 2008
12. Subduction and Transport in the Indian and Pacific Oceans in a 2 × CO2 Climate
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Warren G. Lee, Matthew H. England, Xiao-Yi Yang, and Oleg A. Saenko
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Atmospheric Science ,Water mass ,Oceanography ,Subduction ,Mixed layer ,Climatology ,Ocean current ,Mode water ,Stratification (water) ,Thermocline ,Surface water ,Geology - Abstract
Subduction, water mass transformation, and transport rates in the Indo-Pacific Ocean are diagnosed in a recent version of the Canadian Centre for Climate Modelling and Analysis coupled model. It is found that the subduction across the base of the winter mixed layer is dominated by the lateral transfer, particularly within the relatively dense water classes corresponding to the densest mode and intermediate waters. However, within lighter densities, including those characterizing the lighter varieties of mode waters, the vertical transfer has a strong positive input to the net subduction. The upper-ocean volume transports across 30°N and 32°S are largest within the density classes that correspond to mode waters. In the North Pacific, the buoyancy flux converts the near-surface waters mostly to denser water classes, whereas in the Southern Ocean the surface waters are transformed both to lighter and denser water classes, depending on the density. In response to a doubling of CO2, the subduction, transformation, and transport of mode waters in both hemispheres shift to lighter densities but do not change significantly, whereas the subduction of intermediate waters decreases. The area of large winter mixed layer depths decreases, particularly in the Southern Hemisphere. In the low latitudes, the thermocline water flux that enters the tropical Pacific via the western boundary flows generally increases. However, its anomaly has a complex structure, so that integrated estimates can be sensitive to the isopycnal ranges. The upper part of the Equatorial Undercurrent (EUC) strengthens in the warmer climate, whereas its lower part weakens. The anomaly in the EUC closely follows the anomaly in stratification along the equator. The Indonesian Throughflow transport decreases with part of it being redirected eastward. This part joins with the intensified equatorward thermocline flows at the western boundaries and contributes to the EUC anomaly.
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- 2011
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13. The Effect of Terrestrial Photosynthesis Down Regulation on the Twentieth-Century Carbon Budget Simulated with the CCCma Earth System Model
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James R. Christian, Warren G. Lee, Kenneth L. Denman, Charles L. Curry, Gregory M. Flato, George J. Boer, Konstantin Zahariev, Vivek K. Arora, William J. Merryfield, and John Scinocca
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Earth system science ,Atmosphere ,Atmospheric Science ,Climatology ,Greenhouse gas ,Biogeochemistry ,Environmental science ,Carbon sink ,Climate model ,Land use, land-use change and forestry ,Land cover - Abstract
The simulation of atmospheric–land–ocean CO2 exchange for the 1850–2000 period offers the possibility of testing and calibrating the carbon budget in earth system models by comparing the simulated changes in atmospheric CO2 concentration and in land and ocean uptake with observation-based information. In particular, some of the uncertainties associated with the treatment of land use change (LUC) and the role of down regulation in affecting the strength of CO2 fertilization for terrestrial photosynthesis are assessed using the Canadian Centre for Climate Modelling and Analysis Earth System Model (CanESM1). LUC emissions may be specified as an external source of CO2 or calculated interactively based on estimated changes in crop area. The evidence for photosynthetic down regulation is reviewed and an empirically based representation is implemented and tested in the model. Four fully coupled simulations are performed: with and without terrestrial photosynthesis down regulation and with interactively determined or specified LUC emissions. Simulations without terrestrial photosynthesis down regulation yield 15–20 ppm lower atmospheric CO2 by the end of the twentieth century, compared to observations, regardless of the LUC approach used because of higher carbon uptake by land. Implementation of down regulation brings simulated values of atmospheric CO2 and land and ocean carbon uptake closer to observation-based values. The use of specified LUC emissions yields a large source in the tropics during the 1981–2000 period, which is inconsistent with studies suggesting the tropics to be near-neutral or small carbon sinks. The annual cycle of simulated global averaged CO2, dominated by the Northern Hemisphere terrestrial photosynthesis and respiration cycles, is reasonably well reproduced, as is the latitudinal distribution of CO2 and the dependence of interhemispheric CO2 gradient on fossil fuel emissions. The empirical approach used here offers a reasonable method of implementing down regulation in coupled carbon–climate models in the absence of a more explicit biogeochemical representation.
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- 2009
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14. The Canadian Centre for Climate Modelling and Analysis global coupled model and its climate
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Gregory M. Flato, M. C. Reader, D. Ramsden, Andrew J. Weaver, Norman A. McFarlane, George J. Boer, and Warren G. Lee
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Atmospheric Science ,Climate commitment ,Climate change ,Forcing (mathematics) ,Transient climate simulation ,Atmospheric sciences ,Physics::Geophysics ,Climatology ,Greenhouse gas ,Environmental science ,Climate model ,Climate state ,Physics::Atmospheric and Oceanic Physics ,Downscaling - Abstract
A global, three-dimensional climate model, developed by coupling the CCCma second-generation atmospheric general circulation model (GCM2) to a version of the GFDL modular ocean model (MOM1), forms the basis for extended simulations of past, current and projected future climate. The spin-up and coupling procedures are described, as is the resulting climate based on a 200 year model simulation with constant atmospheric composition and external forcing. The simulated climate is systematically compared to available observations in terms of mean climate quantities and their spatial patterns, temporal variability, and regional behavior. Such comparison demonstrates a generally successful reproduction of the broad features of mean climate quantities, albeit with local discrepancies. Variability is generally well-simulated over land, but somewhat underestimated in the tropical ocean and the extratropical storm-track regions. The modelled climate state shows only small trends, indicating a reasonable level of balance at the surface, which is achieved in part by the use of heat and freshwater flux adjustments. The control simulation provides a basis against which to compare simulated climate change due to historical and projected greenhouse gas and aerosol forcing as described in companion publications.
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- 2000
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15. Progress and Challenges in Biogeochemical Modeling of the Pacific Arctic Region
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Warren G. Lee, Wieslaw Maslowski, Georgina A. Gibson, N. Steiner, Scott Elliott, Diane Lavoie, Clara Deal, Jaclyn Clement Kinney, Jia Wang, Meibing Jin, Eiji Watanabe, Sang Heon Lee, James R. Christian, and Kenneth L. Denman
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geography ,Biogeochemical cycle ,geography.geographical_feature_category ,business.industry ,Environmental resource management ,Ocean acidification ,Earth system science ,Oceanography ,Arctic ,Ecosystem model ,Sea ice ,Environmental science ,Ecosystem ,Marine ecosystem ,business - Abstract
At this early stage of modeling marine ecosystems and biogeochemical cycles in the Pacific Arctic Region (PAR), numerous challenges lie ahead. Observational data used for model development and validation remain sparse, especially across seasons and under a variety of environmental conditions. Field data are becoming more available, but at the same time PAR is rapidly changing. Biogeochemical models can provide the means to capture some of these changes. This study introduces and synthesizes ecosystem modeling in PAR by discussing differences in complexity and application of one-dimensional, regional, and global earth system models. Topics include the general structure of ecosystem models and specifics of the combined benthic, pelagic, and ice PAR ecosystems, the importance of model validation, model responses to climate influences (e.g. diminishing sea ice, ocean acidification), and the impacts of circulation and stratification changes on PAR ecosystems and biogeochemical cycling. Examples of modeling studies that help place the region within the context of the Pan-Arctic System are also discussed. We synthesize past and ongoing PAR biogeochemical modeling efforts and briefly touch on decision makers’ use of ecosystem models and on necessary future developments.
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- 2014
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16. Carbon emission limits required to satisfy future representative concentration pathways of greenhouse gases
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Warren G. Lee, Viatcheslav Kharin, George J. Boer, John Scinocca, William J. Merryfield, Vivek K. Arora, Gregory M. Flato, James R. Christian, and Kenneth L. Denman
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Global warming ,Climate change ,chemistry.chemical_element ,Representative Concentration Pathways ,Forcing (mathematics) ,Carbon sequestration ,Geophysics ,chemistry ,Greenhouse gas ,Climatology ,General Earth and Planetary Sciences ,Environmental science ,Copenhagen Accord ,Carbon - Abstract
[1] The response of the second-generation Canadian earth system model (CanESM2) to historical (1850–2005) and future (2006–2100) natural and anthropogenic forcing is assessed using the newly-developed representative concentration pathways (RCPs) of greenhouse gases (GHGs) and aerosols. Allowable emissions required to achieve the future atmospheric CO2 concentration pathways, are reported for the RCP 2.6, 4.5 and 8.5 scenarios. For the historical 1850–2005 period, cumulative land plus ocean carbon uptake and, consequently, cumulative diagnosed emissions compare well with observation-based estimates. The simulated historical carbon uptake is somewhat weaker for the ocean and stronger for the land relative to their observation-based estimates. The simulated historical warming of 0.9°C compares well with the observation-based estimate of 0.76 ± 0.19°C. The RCP 2.6, 4.5 and 8.5 scenarios respectively yield warmings of 1.4, 2.3, and 4.9°C and cumulative diagnosed fossil fuel emissions of 182, 643 and 1617 Pg C over the 2006–2100 period. The simulated warming of 2.3°C over the 1850–2100 period in the RCP 2.6 scenario, with the lowest concentration of GHGs, is slightly larger than the 2°C warming target set to avoid dangerous climate change by the 2009 UN Copenhagen Accord. The results of this study suggest that limiting warming to roughly 2°C by the end of this century is unlikely since it requires an immediate ramp down of emissions followed by ongoing carbon sequestration in the second half of this century.
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- 2011
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17. The global carbon cycle in the Canadian Earth system model (CanESM1): Preindustrial control simulation
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Kenneth L. Denman, Charles L. Curry, George J. Boer, Gregory M. Flato, James R. Christian, Vivek K. Arora, William J. Merryfield, Warren G. Lee, Nigel T. Roulet, Konstantin Zahariev, and John Scinocca
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Atmospheric Science ,Ecology ,Northern Hemisphere ,Paleontology ,Soil Science ,Primary production ,Forestry ,Ocean acidification ,Aquatic Science ,Oceanography ,Latitude ,Carbon cycle ,Sea surface temperature ,Geophysics ,Space and Planetary Science ,Geochemistry and Petrology ,Climatology ,Earth and Planetary Sciences (miscellaneous) ,Extratropical cyclone ,Environmental science ,Southern Hemisphere ,Earth-Surface Processes ,Water Science and Technology - Abstract
[1] The preindustrial carbon cycle is described for the Canadian Centre for Climate Modelling and Analysis Earth system model (CanESM1). The interhemispheric gradient of surface atmospheric CO2 concentration (xCO2) is reversed from the present day, with higher concentrations in the Southern Hemisphere, and southward interhemispheric transport by the ocean, estimated at 0.38 Pg C yr−1. The seasonal cycles of xCO2 and surface CO2 exchange are dominated by Northern Hemisphere terrestrial processes; the ocean contribution to CO2 flux is in phase with the larger terrestrial flux in the tropics and out of phase in the extratropics. Ocean processes dominate the relatively small Southern Hemisphere variability. Interannual variability of land carbon exchange is much larger than ocean exchange; both are comparable to results from previously published models with possibly larger variability in the terrestrial flux. Terrestrial net primary production (NPP) is determined largely by water availability at low latitudes, with temperature becoming more important at high latitudes. Temperature and moisture affect both NPP and heterotrophic respiration such that respiration effects tend to dampen the effect of fluctuations in NPP on CO2 exchange. Ocean CO2 flux variability is controlled by a variety of physical and biological processes with greater control by physical processes in the tropics and a larger biological contribution in the extratropics. Ocean CO2 flux is more strongly correlated with tropical sea surface temperature (SST) than terrestrial, but the variance associated with tropical SST is larger on land, in absolute terms, because of the much greater total variance of the land carbon flux. A novel hypothesis is advanced to explain how biological drawdown can cause recently upwelled water to be a net sink rather than source for atmospheric CO2. This process occurs over large areas of extratropical ocean and forms a natural sink for atmospheric CO2 that is potentially sensitive to both ocean acidification and anthropogenic perturbations of the aeolian iron flux.
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- 2010
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18. Importance of bottom topography in the seasonal cycle of the North Pacific subarctic gyre: Research note
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William W. Hsieh, Warren G. Lee, and Greg Holloway
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Atmospheric Science ,geography ,geography.geographical_feature_category ,Ocean gyre ,Climatology ,Forcing (mathematics) ,Oceanography ,Subarctic climate ,Seasonal cycle ,Geology - Abstract
Under seasonal forcing, numerical ocean models can exhibit a large seasonal cycle in the subarctic North Pacific. This has been seen in three‐dimensional primitive‐equation models that lack sufficient vertical resolution, thereby treating broadly sloping bottom topography as essentially flat. Theoretical consideration, as well as studies based on simplified models, identify a possible sensitivity to inclusion of more realistic topography. We examine such a sensitivity by comparing results from a 5‐level primitive‐equation model and a 15‐level model. We find that improved resolution in the 15‐level model reduces the large seasonal cycle in modelled ocean variables.
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- 1992
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19. Using a Numerical Model of the Northeast Pacific Ocean to Study the Interannual Variability of the Fraser River Sockeye Salmon (Oncorhynchus nerka)
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Warren G. Lee, Lawrence A. Mysak, and William W. Hsieh
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biology ,Ocean current ,Empirical orthogonal functions ,Aquatic Science ,Atmospheric forcing ,biology.organism_classification ,Fish measurement ,Pacific ocean ,Fishery ,Oceanography ,Geophysical fluid dynamics ,Oncorhynchus ,Environmental science ,Fisheries management ,Ecology, Evolution, Behavior and Systematics - Abstract
The hypothesis that numerical ocean circulation models could benefit fishery management was tested by first simulating the interannual variability of the northeast Pacific Ocean from 1955 to 1979 with the Bryan–Cox–Semtner ocean model (from the Geophysical Fluid Dynamics Laboratory, Princeton, NJ) and then relating the model output to the interannual variability found in the Fraser River sockeye salmon (Oncorhynchus nerka). Empirical orthogonal function (EOF) analysis was first used to condense the model output fields as well as the atmospheric forcing data. Next, the amplitude of the EOF's were regressed with the annual values of the sockeye variables (return migration route and timing, marine survival, and fork length) by stepwise multiple regression, with various time lags between the physical and the sockeye variables. The EOF modes associated with interannual variability (usually mode 2) were more often correlated with the sockeye variables than the other modes thought to contain mainly the seasonal cycle (mode 1) or else noise. The correlations between the physical variables and the sockeye variables were highest in the first and final few months of the sockeye marine life.
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- 1991
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20. A Pipelined and Parallel Architecture for Quantum Monte Carlo Simulations on FPGAs
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Gothandaraman, Akila, primary, Peterson, Gregory D., additional, Warren, G. Lee, additional, Hinde, Robert J., additional, and Harrison, Robert J., additional
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- 2010
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21. Incorporating Phase-Dependent Polarizability in Nonadditive Electrostatic Models for Molecular Dynamics Simulations of the Aqueous Liquid−Vapor Interface
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Bauer, Brad A., primary, Warren, G. Lee, additional, and Patel, Sandeep, additional
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- 2009
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22. Comparison of the Solvation Structure of Polarizable and Nonpolarizable Ions in Bulk Water and Near the Aqueous Liquid−Vapor Interface
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Warren, G. Lee, primary and Patel, Sandeep, additional
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- 2008
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23. Thermodynamic and structural properties of methanol–water solutions using nonadditive interaction models
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Zhong, Yang, primary, Warren, G. Lee, additional, and Patel, Sandeep, additional
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- 2008
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24. Population size bias in descendant-weighted diffusion quantum Monte Carlo simulations
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Warren, G. Lee, primary and Hinde, Robert J., additional
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- 2006
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25. Poster reception---Reconfigurable accelerator for quantum Monte Carlo simulations in N-body systems
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Gothandaraman, Akila, primary, Warren, G. Lee, additional, Peterson, Gregory D., additional, and Harrison, Robert J., additional
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- 2006
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26. Poster reception---A reconfigurable supercomputing library for accelerated parallel lagged-Fibonacci pseudorandom number generation
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Bi, Yu, primary, Peterson, Gregory D, additional, Warren, G. Lee, additional, and Harrison, Robert J., additional
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- 2006
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27. Thermodynamic and structural properties of methanol–water solutions using nonadditive interaction models.
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Yang Zhong, Warren, G. Lee, and Patel, Sandeep
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- *
METHANOL , *WATER , *THERMODYNAMICS , *MOLECULAR dynamics , *FUZZY measure theory - Abstract
We study bulk structural and thermodynamic properties of methanol–water solutions via molecular dynamics simulations using novel interaction potentials based on the charge equilibration (fluctuating charge) formalism to explicitly account for molecular polarization at the atomic level. The study uses the TIP4P-FQ potential for water–water interactions, and the CHARMM-based (Chemistry at HARvard Molecular Mechanics) fluctuating charge potential for methanol–methanol and methanol–water interactions. In terms of bulk solution properties, we discuss liquid densities, enthalpies of mixing, dielectric constants, self-diffusion constants, as well as structural properties related to local hydrogen bonding structure as manifested in radial distribution functions and cluster analysis. We further explore the electronic response of water and methanol in the differing local environments established by the interaction of each species predominantly with molecules of the other species. The current force field for the alcohol–water interaction performs reasonably well for most properties, with the greatest deviation from experiment observed for the excess mixing enthalpies, which are predicted to be too favorable. This is qualitatively consistent with the overestimation of the methanol–water gas-phase interaction energy for the lowest-energy conformer (methanol as proton donor). Hydration free energies for methanol in TIP4P-FQ water are predicted to be -5.6 ± 0.2 kcal/mol, in respectable agreement with the experimental value of -5.1 kcal/mol. With respect to solution microstructure, the present cluster analysis suggests that the microscale environment for concentrations where select thermodynamic quantities reach extremal values is described by a bipercolating network structure. © 2007 Wiley Periodicals, Inc. J Comput Chem, 2008 [ABSTRACT FROM AUTHOR]
- Published
- 2008
- Full Text
- View/download PDF
28. Geographic and Seasonal Distributions of Brunt–Väisälä Frequency and Rossby Radii in the North Pacific and North Atlantic
- Author
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William J. Emery, Warren G. Lee, and Lorenz Magaard
- Subjects
Geographic distribution ,Salinity ,Climatology ,Brunt–Väisälä frequency ,medicine ,Seasonality ,Mean radiant temperature ,Oceanography ,medicine.disease ,Hydrography ,Geology - Abstract
Long-term mean temperature and salinity profiles, computed from an edited set of historical hydrographic data, have been used to calculate mean profiles of density and Brunt–Vaisala seasonal variations in internal Rossby radii are everywhere surprisingly small.
- Published
- 1984
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29. Kinetics, isotope rate effect, and mechanism of dehydrobromination of cis-1,2-dibromoethylene with triethylamine in dimethylformamide
- Author
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Sidney I. Miller, W. K. Kwok, and Warren G. Lee
- Subjects
Ethylene ,Isotope ,Chemistry ,Kinetics ,General Chemistry ,Photochemistry ,Biochemistry ,Chemical reaction ,Catalysis ,chemistry.chemical_compound ,Colloid and Surface Chemistry ,Deuterium ,Kinetic isotope effect ,Dimethylformamide ,Triethylamine - Published
- 1969
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30. The Vinyl Carbanion1
- Author
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Sidney I. Miller and Warren G. Lee
- Subjects
Colloid and Surface Chemistry ,Chemistry ,Polymer chemistry ,General Chemistry ,Biochemistry ,Catalysis ,Vinyl polymer - Published
- 1959
- Full Text
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31. THE SECONDARY ISOTOPE RATE EFFECT IN THE IODIDE DEBROMINATION OF sym-TETRABROMOETHANE AND sym-TETRABROMOETHANE-d21,2
- Author
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Sidney I. Miller and Warren G. Lee
- Subjects
chemistry.chemical_classification ,chemistry.chemical_compound ,chemistry ,Isotope ,Inorganic chemistry ,Kinetic isotope effect ,Iodide ,General Engineering ,Tetrabromoethane ,Physical and Theoretical Chemistry ,Medicinal chemistry - Published
- 1962
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32. Additions and Corrections - The Kinetics, Isotope Rate Effect, and Mechanisms of Dehydrobromination of cis-1,2-Dibromoethylene with Triethylamine in Dimethylformamide
- Author
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Sidney I. Miller, W. K. Kwok, and Warren G. Lee
- Subjects
chemistry.chemical_compound ,Colloid and Surface Chemistry ,chemistry ,Isotope ,Kinetics ,Inorganic chemistry ,Organic chemistry ,Dimethylformamide ,General Chemistry ,Biochemistry ,Triethylamine ,Catalysis - Published
- 1972
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33. Reconfigurable accelerator for quantum Monte Carlo simulations in N-body systems.
- Author
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Gothandaraman, Akila, Warren, G. Lee, Peterson, Gregory D., and Harrison, Robert J.
- Published
- 2006
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34. A reconfigurable supercomputing library for accelerated parallel lagged-Fibonacci pseudorandom number generation.
- Author
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Bi, Yu, Peterson, Gregory D, Warren, G. Lee, and Harrison, Robert J.
- Published
- 2006
- Full Text
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35. Incorporating Phase-Dependent Polarizability in Non-Additive Electrostatic Models for Molecular Dynamics Simulations of the Aqueous Liquid-Vapor Interface.
- Author
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Bauer BA, Warren GL, and Patel S
- Abstract
We discuss a new classical water force field that explicitly accounts for differences in polarizability between liquid and vapor phases. The TIP4P-QDP (4-point transferable intermolecular potential with charge dependent-polarizability) force field is a modification of the original TIP4P-FQ fluctuating charge water force field of Rick et al.(1) that self-consistently adjusts its atomic hardness parameters via a scaling function dependent on the M-site charge. The electronegativity (χ) parameters are also scaled in order to reproduce condensed-phase dipole moments of comparable magnitude to TIP4P-FQ. TIP4P-QDP is parameterized to reproduce experimental gas-phase and select condensed-phase properties. The TIP4P-QDP water model possesses a gas phase polarizability of 1.40 Å(3) and gas-phase dipole moment of 1.85 Debye, in excellent agreement with experiment and high-level ab initio predictions. The liquid density of TIP4P-QDP is 0.9954(±0.0002) g/cm(3) at 298 K and 1 atmosphere, and the enthalpy of vaporization is 10.55(±0.12) kcal/mol. Other condensed-phase properties such as the isobaric heat capacity, isothermal compressibility, and diffusion constant are also calculated within reasonable accuracy of experiment and consistent with predictions of other current state-of-the-art water force fields. The average molecular dipole moment of TIP4P-QDP in the condensed phase is 2.641(±0.001) Debye, approximately 0.02 Debye higher than TIP4P-FQ and within the range of values currently surmised for the bulk liquid. The dielectric constant, ε = 85.8 ± 1.0, is 10% higher than experiment. This is reasoned to be due to the increase in the condensed phase dipole moment over TIP4P-FQ, which estimates ε remarkably well. Radial distribution functions for TIP4P-QDP and TIP4P-FQ show similar features, with TIP4P-QDP showing slightly reduced peak heights and subtle shifts towards larger distance interactions. Since the greatest effects of the phase-dependent polarizability are anticipated in regions with both liquid and vapor character, interfacial simulations of TIP4P-QDP were performed and compared to TIP4P-FQ, a static polarizability analog. Despite similar features in density profiles such as the position of the GDS and interfacial width, enhanced dipole moments are observed for the TIP4P-QDP interface and onset of the vapor phase. Water orientational profiles show an increased preference (over TIP4P-FQ) in the orientation of the permanent dipole vector of the molecule within the interface; an enhanced z-induced dipole moment directly results from this preference. Hydrogen bond formation is lower, on average, in the bulk for TIP4P-QDP than TIP4P-FQ. However, the average number of hydrogen bonds formed by TIP4P-QDP in the interface exceeds that of TIP4P-FQ, and observed hydrogen bond networks extend further into the gaseous region. The TIP4P-QDP interfacial potential, calculated to be -11.98(±0.08) kcal/mol, is less favorable than that for TIP4P-FQ by approximately 2% as a result of a diminished quadrupole contribution. Surface tension is calculated within a 1.3% reduction from the experimental value. Results reported demonstrate TIP4P-QDP as a model comparable to the popular TIP4P-FQ while accounting for a physical effect previously neglected by other water models. Further refinements to this model, as well as future applications are discussed.
- Published
- 2009
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36. Hydration free energies of monovalent ions in transferable intermolecular potential four point fluctuating charge water: an assessment of simulation methodology and force field performance and transferability.
- Author
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Warren GL and Patel S
- Subjects
- Algorithms, Computer Simulation, Entropy, Models, Molecular, Models, Statistical, Models, Theoretical, Molecular Conformation, Salts chemistry, Thermodynamics, Water chemistry, Chemistry, Physical methods, Ions
- Abstract
Hydration free energies of nonpolarizable monovalent atomic ions in transferable intermolecular potential four point fluctuating charge (TIP4P-FQ) are computed using several commonly employed ion-water force fields including two complete model sets recently developed for use with the simple water model with four sites and Drude polarizability and TIP4P water models. A simulation methodology is presented which incorporates a number of finite-system free energy corrections within the context of constant pressure molecular dynamics simulations employing the Ewald method and periodic boundary conditions. The agreement of the computed free energies and solvation structures with previously reported results for these models in finite droplet systems indicates good transferability of ion force fields from these water models to TIP4Q-FQ even when ion polarizability is neglected. To assess the performance of the ion models in TIP4P-FQ, we compare with consensus values for single-ion hydration free energies arising from recently improved cluster-pair estimates and a reevaluation of commonly cited, experimentally derived single-ion hydration free energies; we couple the observed consistency of these energies with a justification of the cluster-pair approximation in assigning single-ion hydration free energies to advocate the use of these consensus energies as a benchmark set in the parametrization of future ion force fields.
- Published
- 2007
- Full Text
- View/download PDF
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