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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 811 records · Page 45
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Dosimetric comparison of intensity-modulated solutions for intact prostate cancer

The purpose of this study is intended to investigate the implementation of a modified class solution for intact prostate intensity-modulated radiation therapy (IMRT). The class solution uses 2 additional optimization structures intended to increase target conformity and decrease unnecessary dose to healthy tissue. A total of 10 randomly selected intact prostate IMRT patients were chosen for this retrospective study. Each of the original IMRT plans was compared with a modified class solution. The class solution implemented 2 additional optimization structures. The 95{sub O}PT was intended to increase target conformity, and the Avoidance{sub 3}780 was intended to reduce normal tissue. Each plan was evaluated for minimum, maximum, and mean doses to the target. Additionally, mean normal tissue dose, total monitor units (MUs), and segments were investigated. Conformity index and normal healthy index were also compared. All comparisons were evaluated using a paired t-test using GraphPad software. Evaluations of MUs; segments; minimum, maximum, mean target doses; mean normal tissue dose; and conformity index did not demonstrate a significant difference between the modified class solution and the original plans. However, evaluation of healthy tissue conformity index indicated a significant difference. Overall, 70% of the original plans failed to demonstrate a satisfactory score (< 0.6) of properly sparing normal healthy tissue, whereas 70% of the modified plans exhibited a satisfactory score (> 0.6). Most (90%) of the modified plans demonstrated a greater number of segments than the compared original plan. A modified class solution provides a good starting point for planning intact prostate cancer. The addition of the Avoidance{sub 3}780 structure increases the healthy tissue conformity index score.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2021

Parametric study and speciation analysis of rare earth precipitation using oxalic acid in a chloride solution system

Oxalic acid precipitation is a common step in the purification of rare earth elements (REE) from a concentrated pregnant leach solution (PLS). However, the presence of contaminants such as Al, Fe, and Ca in given amounts decreases the REE precipitation efficiency and product purity while also increasing the amount of oxalic acid needed to maximize recovery. As such, a statistically designed test program was performed to identify the optimal conditions necessary for a relatively low REE content PLS containing elevated concentrations of contaminant ions. The performance objective was maximization of REE precipitation efficiency while minimizing the oxalic acid dosage. A central composite design was utilized to quantify performance impacts and identify the ultimate set of parameter values for oxalic acid dosage, Fe(III) contamination concentration, solution pH, and reaction temperature. The resultant model suggested that oxalic acid dosage and reaction pH are the most significant factors for the REE precipitation efficiency, followed by the interaction of oxalic dosage and Fe concentration. Test results indicate that increasing the oxalic acid concentration from 0 g/L to 80 g/L improved the REE precipitation efficiency from approximately 4.2% to 95.0%. Furthermore, raising the solution pH from 0.5 to 2.5 considerably enhanced the precipitation efficiency from 0.0% to 98.9%. A solution temperature elevation decreased REE recovery, which indicated an exothermic reaction between REEs and oxalate anions. Finally, a high level of Fe contamination adversely impacted REE precipitation efficiency. Here, to further the understanding of the REE-oxalate system, a fundamental solution chemistry study was performed using the equilibrium constants of the reactions. The study resulted in the development of oxalate speciation diagrams and provided an analysis of the REE precipitation characteristics at various oxalate anion concentrations and Fe(III) contamination levels using MINTEQ software. The dominant Fe(III) species in the solution system were found to be Fe-(C 2 O 4 ) 3 3- , Fe-(C 2 O 4 ) 2- , and Fe-(C 2 O 4 ) + , which consume the majority of the oxalate anions. The simulated model was found to be in agreement with the experimental findings and helped to explain the adverse impact of increased iron concentrations on REE precipitation efficiency.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Solution and Interface Structure and Dynamics in Geochemistry: Gateway to Link Elementary Processes to Mineral Nucleation and Growth

Our understanding of the process of mineral nucleation is starting to evolve from the solely thermodynamical aspects in classical nucleation theory toward a mechanistic study of reactions influenced by solvation structures of ions and their dynamics. A knowledge of how these atomic and molecular interactions respond to changing solution composition and/or the nature of an interface will form a fundamental foundation to understand rate-limiting reactions and processes for nucleation and growth. Here, we review recent advances from multidisciplinary experimental and computational approaches of the structure and dynamics of aqueous solutions and mineral–liquid interfaces that will influence rates of nucleation (and growth behavior) both homogeneously in aqueous solutions and heterogeneously at mineral–liquid interfaces. Furthermore, these processes include structure (and extent) of solute clustering, solvent degrees of freedom, and the presence of noninnocent charge-balancing ions, all of which can drive the selectivity and exert control over nucleation mechanisms. Similar controlling reactions can also occur at interfaces with the added complexities of how solute ions interact with and assemble on surface sites and use different mechanisms from bulk solutes, such as lateral solvent exchanges between distinct surface sites. To gain a predictive understanding of nucleation chemistry, we emphasize several key knowledge gaps that will need to be addressed in this field and highlight the importance of combining computations and experiments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2011

Does Nitric Acid Dissociate at the Aqueous Solution Surface?

Nitric acid is a prevalent component of atmospheric aerosols, and the extent of nitric acid dissociation at aqueous interfaces is relevant to its role in heterogeneous atmospheric chemistry. Several experimental and theoretical studies have suggested that the extent of dissociation of nitric acid near aqueous interfaces is less than in bulk solution. Here, dissociation of HNO3 at the surface of aqueous nitric acid is quantified using X-ray photoelectron spectroscopy of the nitrogen local electronic structure. The relative amounts of undissociated HNO3(aq) and dissociated NO3-(aq) are identified by the distinguishable N1s core-level photoelectron spectra of the two species, and we determine the degree of dissociation, αint, in the interface (the first ~3 layers of solution) as a function of HNO3 concentration. Our measurements show that dissociation is decreased by approximately 20% near the solution interface compared with bulk, and furthermore that dissociation occurs even in the top-most solution layer. The experimental results are supported by first-principles MD simulations, which show that hydrogen-bonds between HNO3 and water molecules at the solution surface stabilize the molecular form at low concentration, in analogy to the stabilization of molecular HNO3 that occurs in bulk solution at high concentration. This work was supported by the U.S. Department of Energy's (DOE) Office of Basic Energy Sciences, Chemical Sciences program. The Pacific Northwest National Laboratory is operated by Battelle for DOE.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2014

Ionic Liquid–Solute Interactions Studied by 2D NOE NMR Spectroscopy

Intermolecular interactions between a Ru²⁺(bpy)₃ solute and the anions and cations of four different ionic liquids (ILs) are investigated by 2D NMR nuclear Overhauser effect (NOE) techniques, including {¹H-¹⁹F} HOESY and {¹H-¹H} ROESY. Four ILs are studied, each having the same bis(trifluoromethylsulfonyl)amide anion in common. Two of the ILs have aliphatic 1-alkyl-1-methylpyrrolidinium cations, while the other two ILs have aromatic 1-alkyl-3-methylimidazolium cations. ILs with both shorter (butyl) and longer (octyl or decyl) cationic alkyl substituents are studied. NOE NMR results suggest that the local environment of IL anions and cations near the Ru²⁺(bpy)₃ solute is rather different from the bulk IL structure. The solute-anion and solute-cation interactions are significantly different both for ILs with short vs long alkyl tails and for ILs with aliphatic vs aromatic cation polar head groups. In particular, the solute-anion interactions are observed to be about 3 times stronger for the cations with shorter alkyl tails relative to the ILs with longer alkyl tails. The Ru²⁺(bpy)₃ solute interacts with both the polar head and the nonpolar tail groups of the 1- butyl-1-methylpyrrolidinium cation but only with the nonpolar tail groups of the 1-decyl-1-methylpyrrolidinium cation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Numerical Study of Coupled Water and Vapor Flow, Heat Transfer, and Solute Transport in Variably-Saturated Deformable Soil During Freeze-Thaw Cycles

As climate change intensifies, soil water flow, heat transfer, and solute transport in the active, unfrozen zones within permafrost and seasonally frozen ground exhibit progressively more complex interactions that are difficult to elucidate with measurements alone. For example, frozen conditions impede water flow and solute transport in soil, while heat and mass transfer are significantly affected by high thermal inertia generated from water-ice phase change during the freeze-thaw cycle. To assist in understanding these subsurface processes, the current study presents a coupled two-dimensional model, which examines heat conduction-convection with water-ice phase change, soil water (liquid water and vapor) and groundwater flow, advective-dispersive solute transport with sorption, and soil deformation (frost heave and thaw settlement) in variably saturated soils subjected to freeze-thaw actions. This coupled multiphysics problem is numerically solved using the finite element method. The model's performance is first verified by comparison to a well-documented freezing test on unsaturated soil in a laboratory environment obtained from the literature. Then based on the proposed model, we quantify the impacts of freeze-thaw cycles on the distribution of temperature, water content, displacement history, and solute concentration in three distinct soil types, including sand, silt and clay textures. The influence of fluctuations in the air temperature, groundwater level, hydraulic conductivity, and solute transport parameters was also comparatively studied. The results show that (a) there is a significant bidirectional exchange between groundwater in the saturated zone and soil water in the vadose zone during freeze-thaw periods, and its magnitude increases with the combined influence of higher hydraulic conductivity and higher capillarity; (b) the rapid dewatering ahead of the freezing front causes local volume shrinkage within the non-frozen region when the freezing front propagates downward during the freezing stage and this volume shrinkage reduces the impact of frost heave due to ice formation. This gradually recovers when the thawed water replenishes the water loss zone during the thawing stage; and (c) the profiles of soil moisture, temperature, displacement, and solute concentration during freeze-thaw cycles are sensitive to the changes in amplitude and freeze-thaw period of the sinusoidal varying air temperature near the ground surface, hydraulic conductivity of soil texture, and the initial groundwater levels. Our modeling framework and simulation results highlight the need to account for coupled thermal-hydraulic-mechanical-chemical behaviors to better understand soil water and groundwater dynamics during freeze-thaw cycles and further help explain the observed changes in water cycles and landscape evolution in cold regions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2014

Superposition of elliptic functions as solutions for a large number of nonlinear equations

For a large number of nonlinear equations, both discrete and continuum, we demonstrate a kind of linear superposition. We show that whenever a nonlinear equation admits solutions in terms of both Jacobi elliptic functions cn(x, m) and dn(x, m) with modulus m, then it also admits solutions in terms of their sum as well as difference. We have checked this in the case of several nonlinear equations such as the nonlinear Schrödinger equation, MKdV, a mixed KdV-MKdV system, a mixed quadratic-cubic nonlinear Schrödinger equation, the Ablowitz-Ladik equation, the saturable nonlinear Schrödinger equation, λϕ{sup 4}, the discrete MKdV as well as for several coupled field equations. Further, for a large number of nonlinear equations, we show that whenever a nonlinear equation admits a periodic solution in terms of dn{sup 2}(x, m), it also admits solutions in terms of dn {sup 2}(x,m)±√(m) cn (x,m) dn (x,m), even though cn(x, m)dn(x, m) is not a solution of these nonlinear equations. Finally, we also obtain superposed solutions of various forms for several coupled nonlinear equations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Equatorial symmetry of Boussinesq convective solutions in a rotating spherical shell allowing rotation of the inner and outer spheres

We investigate properties of convective solutions of the Boussinesq thermal convection in a moderately rotating spherical shell allowing the respective rotation of the inner and outer spheres due to the viscous torque of the fluid. The ratio of the inner and outer radii of the spheres, the Prandtl number, and the Taylor number are fixed to 0.4, 1, and 500{sup 2}, respectively. The Rayleigh number is varied from 2.6 × 10{sup 4} to 3.4 × 10{sup 4}. In this parameter range, the behaviours of obtained asymptotic convective solutions are almost similar to those in the system whose inner and outer spheres are restricted to rotate with the same constant angular velocity, although the difference is found in the transition process to chaotic solutions. The convective solution changes from an equatorially symmetric quasi-periodic one to an equatorially symmetric chaotic one, and further to an equatorially asymmetric chaotic one, as the Rayleigh number is increased. This is in contrast to the transition in the system whose inner and outer spheres are assumed to rotate with the same constant angular velocity, where the convective solution changes from an equatorially symmetric quasi-periodic one, to an equatorially asymmetric quasi-periodic one, and to equatorially asymmetric chaotic one. The inner sphere rotates in the retrograde direction on average in the parameter range; however, it sometimes undergoes the prograde rotation when the convective solution becomes chaotic.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Ion aggregation in high salt solutions: Ion network versus ion cluster

The critical aggregation phenomena are ubiquitous in many self-assembling systems. Ions in high salt solutions could also spontaneously form larger ion aggregates, but their effects on hydrogen-bond structures in water have long been controversial. Here, carrying out molecular dynamics (MD) simulation studies of high salt solutions and comparing the MD simulation results with infrared absorption and pump-probe spectroscopy of O–D stretch mode of HDO in highly concentrated salt solutions and {sup 13}C-NMR chemical shift of S{sup 13}CN{sup −} in KSCN solutions, we find evidence on the onset of ion aggregate and large-scale ion-ion network formation that concomitantly breaks water hydrogen-bond structure in certain salt solutions. Despite that these experimental results cannot provide direct evidence on the three-dimensional morphological structures of ion aggregates, they serve as reference data for verifying MD simulation methods. The MD results suggest that disrupted water hydrogen-bond network is intricately intertwined with ion-ion network. This further shows morphological variation of ion aggregate structures from ion cluster to ion network in high salt solutions that are interrelated to the onset of macroscopic aggregate formation and the water hydrogen-bond structure making and breaking processes induced by Hofmeister ions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Numerical matching of the sheath and presheath solutions for a spherical probe in radial-motion theory

The theory of positive-ion collection by a probe immersed in a low-pressure plasma was reviewed and extended by Allen, Boyd, and Reynolds [Proc. Phys. Soc. 70, 297 (1957)]. For a given value of the ion current, the boundary values of the matched “nonneutral” or “sheath” solution V{sup ~}{sub nn}{sup (m)}(r; r{sub m}) were obtained from the “quasineutral” or “presheath” solution V{sup ~}{sub qn}(r) by choosing the small potential and electric-field values corresponding to some large “matching radius” r{sub m}. Here, a straightforward but efficient numerical method is presented for systematically determining an optimal value of the matching radius at which the presheath and sheath solutions are joined to yield the “matched” potential profile. Some suitable initial matching radius r{sub m1} is chosen and the related potential and electric-field values of the quasineutral solution are calculated. Using these as boundary conditions, Poisson's equation is integrated to yield the matched nonneutral solution including the corresponding potential at the probe surface. This procedure is repeated for increasing values r{sub m2}, r{sub m3},…. until the resulting potential at the probe surface becomes practically constant. The corresponding value of r{sub m} is taken as the “optimal” matching radius r{sub mo} at which the presheath and sheath solutions are ultimately joined to yield the “optimal” matched potential profile in the entire plasma-probe transition region. It is also shown that the Bohm criterion is inapplicable in the present problem.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Reference interaction site model with hydrophobicity induced density inhomogeneity: An analytical theory to compute solvation properties of large hydrophobic solutes in the mixture of polyatomic solvent molecules

Reference interaction site model (RISM) has recently become a popular approach in the study of thermodynamical and structural properties of the solvent around macromolecules. On the other hand, it was widely suggested that there exists water density depletion around large hydrophobic solutes (>1 nm), and this may pose a great challenge to the RISM theory. In this paper, we develop a new analytical theory, the Reference Interaction Site Model with Hydrophobicity induced density Inhomogeneity (RISM-HI), to compute solvent radial distribution function (RDF) around large hydrophobic solute in water as well as its mixture with other polyatomic organic solvents. To achieve this, we have explicitly considered the density inhomogeneity at the solute-solvent interface using the framework of the Yvon-Born-Green hierarchy, and the RISM theory is used to obtain the solute-solvent pair correlation. In order to efficiently solve the relevant equations while maintaining reasonable accuracy, we have also developed a new closure called the D2 closure. With this new theory, the solvent RDFs around a large hydrophobic particle in water and different water-acetonitrile mixtures could be computed, which agree well with the results of the molecular dynamics simulations. Furthermore, we show that our RISM-HI theory can also efficiently compute the solvation free energy of solute with a wide range of hydrophobicity in various water-acetonitrile solvent mixtures with a reasonable accuracy. We anticipate that our theory could be widely applied to compute the thermodynamic and structural properties for the solvation of hydrophobic solute.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Exact analytical solutions of continuity equation for electron beams precipitating in Coulomb collisions

The original continuity equation (CE) used for the interpretation of the power law energy spectra of beam electrons in flares was written and solved for an electron beam flux while ignoring an additional free term with an electron density. In order to remedy this omission, the original CE for electron flux, considering beam's energy losses in Coulomb collisions, was first differentiated by the two independent variables: depth and energy leading to partial differential equation for an electron beam density instead of flux with the additional free term. The analytical solution of this partial differential continuity equation (PDCE) is obtained by using the method of characteristics. This solution is further used to derive analytical expressions for mean electron spectra for Coulomb collisions and to carry out numeric calculations of hard X-ray (HXR) photon spectra for beams with different parameters. The solutions revealed a significant departure of electron densities at lower energies from the original results derived from the CE for the flux obtained for Coulomb collisions. This departure is caused by the additional exponential term that appeared in the updated solutions for electron differential density leading to its faster decrease at lower energies (below 100 keV) with every precipitation depth similar to the results obtained with numerical Fokker-Planck solutions. The effects of these updated solutions for electron densities on mean electron spectra and HXR photon spectra are also discussed.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2011

Analytical solitary-wave solutions of the generalized nonautonomous cubic-quintic nonlinear Schroedinger equation with different external potentials

A large family of analytical solitary wave solutions to the generalized nonautonomous cubic-quintic nonlinear Schroedinger equation with time- and space-dependent distributed coefficients and external potentials are obtained by using a similarity transformation technique. We use the cubic nonlinearity as an independent parameter function, where a simple procedure is established to obtain different classes of potentials and solutions. The solutions exist under certain conditions and impose constraints on the coefficients depicting dispersion, cubic and quintic nonlinearities, and gain (or loss). We investigate the space-quadratic potential, optical lattice potential, flying bird potential, and potential barrier (well). Some interesting periodic solitary wave solutions corresponding to these potentials are then studied. Also, properties of a few solutions and physical applications of interest to the field are discussed. Finally, the stability of the solitary wave solutions under slight disturbance of the constraint conditions and initial perturbation of white noise is discussed numerically; the results reveal that the solitary waves can propagate in a stable way under slight disturbance of the constraint conditions and the initial perturbation of white noise.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1994

CoSb(sub 3)-IrSb(sub 3)Solid Solutions: Preparations and Characterization

The binary antimonide compounds of the skutterudite family have a good potential for thermoelectric applications as recent results at JPL have shown. However, the room temperature thermal conductivity of these materials is about 10 Wm(sup -1)K(sup -1) with an 80 % contribution from the lattice. To achieve maximum ZT values, the lattice thermal conductivity needs to be lowered. Because the lattice thermal conductivity of solid solutions can substantially decrease due to the addition of point defect phonon scattering (all state-of-the-art thermoelectric materials are solid solutions), a study of the formation of solid solutions between the antimonide skutterudite compounds is of interest. The preparation and characterization of both p-type and n-type CoSb(sub 3)-IrSb(sub 3) solid solutions by several techniques is reviewed in this paper. Experimental results showed that solid solutions were successfully formed in a wide range of compositions. The changes in the thermoelectric properties indicated the influence of a strong point defect scattering, resulting in large decreases in Hall mobility and thermal conductivity. The potential for high ZT values in CoSb(sub 3)-IrSb(sub 3) solid solutions is discussed.

mobility↗
DOE OSTI2015

ON THE ANALATICAL SOLUTIONS AND NUMERICAL VERIFICATIONS OF THE TWO-PHASE WATER FAUCET PROBLEM

The two-phase water faucet problem is one of the benchmark problems originally proposed by Ransom. The test consists of a vertical pipe, which is initially filled with a uniform column of liquid moving with an initial velocity and an annulus of gas sitting still. At the top boundary, liquid is supplied at the same velocity as the initial velocity, and the bottom of the pipe opens to the ambient. Due to the gravity effect, the liquid column accelerates and becomes thinner. With simplifications, such as massless gas phase and no wall and interfacial frictions, an analytical solution could be obtained for the transient liquid velocity and void fraction distribution. The test has been widely used for the purposes of code assessment, benchmark and numerical verifications. This exact solution was used in this work to verify the numerical accuracy of a high-resolution spatial discretization scheme. The high-resolution spatial discretization scheme is based on the commonly used staggered grid mesh, and slope limiter was introduced to achieve high resolutions in space. It was found that, at the steady state, an expected second-order spatial accuracy could not be achieved. A further investigation showed that this exact solution does not actually satisfy the commonly used two-fluid single pressure two-phase flow equations. More importantly, we have also found that a steady-state exact solution could be obtained for the water faucet problem. In this work, we have demonstrated the derivation of the steady-state exact solution for the water faucet problem. The exact solution was then used to verify a first-order and a high-resolution spatial discretization scheme, from which expected order of accuracy was achieved by doing mesh refinement.

42 ENGINEERING↗
DOE OSTI2012

On the possible gain of the application of the SP{sub 3} solution in nodal codes

The simplified P{sub N} method has attracted much attention in reactor physics. The implementation of an increased order expansion has the potential to improve the results. It is investigated if this potential can be released under the specific features of nodal codes with fuel assembly sized calculation cells. One dimensional analytical solutions for the one and two energy-group diffusion, SP{sub 3} and P{sub 3} equations are derived. The results are compared to reference solutions calculated with ONEDANT and HELIOS. Tests are performed on the Brantley/Larsen one-group test case and on a pin cell with real reactor materials. For the evaluation of the differences between the diffusion and the SP{sub 3} solutions in the nodal code configuration, benchmark configurations are investigated. A comparison of the diffusion and the SP{sub 3} results show improvements for the test case using fuel element size nodes, where the reference solution uses the identical cross section basis. Comparing with a multi-group reference solution shows that the diffusion solution sometimes behaves better due to error cancellation. To achieve the full gain of the SP{sub 3} method in nodal calculations, a new standard for light water reactor calculations has to be defined with a refined energy-group structure. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2013

Efficient checkpointing schemes for depletion perturbation solutions on memory-limited architectures

We describe a methodology for decreasing the memory footprint and machine I/O load associated with the need to access a forward solution during an adjoint solve. Specifically, we are interested in the depletion perturbation equations, where terms in the adjoint Bateman and transport equations depend on the forward flux solution. Checkpointing is the procedure of storing snapshots of the forward solution to disk and using these snapshots to recompute the parts of the forward solution that are necessary for the adjoint solve. For large problems, however, the storage cost of just a few copies of an angular flux vector can exceed the available RAM on the host machine. We propose a methodology that does not checkpoint the angular flux vector; instead, we write and store converged source moments, which are typically of a much lower dimension than the angular flux solution. This reduces the memory footprint and I/O load of the problem, but requires that we perform single sweeps to reconstruct flux vectors on demand. We argue that this trade-off is exactly the kind of algorithm that will scale on advanced, memory-limited architectures. We analyze the cost, in terms of FLOPS and memory footprint, of five checkpointing schemes. We also provide computational results that support the analysis and show that the memory-for-work trade off does improve time to solution. (authors)

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

A trimethylamine–carbon dioxide draw solution for osmotic engines

This study evaluates the pressure retarded osmosis performance of TMA–CO 2 for potential use in osmotic heat engines. Power densities up to 18.6 W m −2 were achievable at relatively low pressure (10 bar) using 5 M TMA–CO 2 draw solutions. Compared to NaCl control tests, the TMA–CO 2 exhibited 20% lower water flux due in large part to its larger molecular size and associated higher solution viscosity and lower diffusion coefficient. Compared to the ammonia‐carbon dioxide draw solution, water flux was comparable but reverse solute flux of TMA–CO 2 was nearly one order of magnitude lower. Larger solute size was found to create a performance tradeoff as reduced reverse solute flux improved water flux while higher viscosity and lower diffusion coefficient worsened water flux. © 2018 American Institute of Chemical Engineers AIChE J , 64: 3369–3375, 2018

Xia, Lingling↗