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Lvov, Serguei N.

Publications and source records attributed to Lvov, Serguei N..

10 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Modeling aqueous association constants and mineral solubilities at subcritical and supercritical temperatures

The need for sustainable power generation has increased interest in the use of hydrothermal fluids for industrial applications. New high-enthalpy geothermal systems and biowaste-to-fuel processes are two relevant examples that employ supercritical fluids which require an in-depth understanding of complex chemical reactions occurring near the supercritical temperature of water (374 °C). As these processes operate in thermodynamic regimes that are not currently covered by a standard molar Gibbs energy of formation model, only empirical fits for single reaction systems are available which limit the use of multi-component phase equilibria calculations that are standard practice for less extreme environments. Here, in this paper, we advance a standard molar Gibbs energy of formation model able to operate in these otherwise inaccessible thermodynamic states to include species needed for key mineral solubility systems and ion association reactions. This work extends a model based on molecular statistical thermodynamics (MST) into four new systems (Na 3 PO 4 -H 2 O, LiOH-H 2 O, KOH-H 2 O, and BaSO 4 -H 2 O) by extending the model to cover 10 new species. For each of these systems, model predictions were consistently within the experimental uncertainties for the new systems covered. A breakdown of MST contributions to the model revealed that electrostatic and hard sphere contributions were key to reproducing density dependencies of standard molar Gibbs energy of formation values around the critical point of water.

42 ENGINEERING↗
DOE OSTI2023

Hydrocarbon-based membranes cost-effectively manage species transport and increase performance in thermally regenerative batteries

Low-temperature heat (T<130°C) can be utilized by thermally regenerative batteries (TRBs) for power production, allowing the thermal energy to be converted to storable chemical potential energy. However, TRBs suffer from high ohmic losses and ammonia crossover, which has slowed their development. In this study, we examined how the use of six different membranes influenced TRB performance, determined the most influential membrane parameters, and identified promising membrane candidates that cost-effectively increase TRB performance. Of the six membranes examined, an inexpensive, hydrocarbon CEM (Selemion CMVN) had low ammonia crossover without compromising resistance, resulting in good performance across all metrics studied. A thin anion exchange membrane (Sustainion, 50 microns) showed a high peak power density of 82 mW cm –2 due to low resistance, but the average power density and energy density were low due to high ammonia flux. Full discharge curves using Selemion CMVN provided an average power density of 26 ± 7 mW cm –2 with an energy density of 2.9 Wh L –1 , which were large improvements on previous TRBs. A techno-economic analysis showed that Selemion CMVN had the lowest levelized cost of storage ($410 per MWh) at an applied current density of 50 mA cm –2 .

25 ENERGY STORAGE↗
DOE OSTI2023

System efficiency and power assessment of the all-aqueous copper thermally regenerative ammonia battery

Thermally regenerative ammonia batteries (TRABs) use low-temperature (T < 100 °C) heat to provide stationary energy and power with higher power densities and efficiency relative to other waste heat devices. TRABs are an active area of research in waste heat devices, but currently there is little consensus on what aspect of the system is limiting TRAB performance and what maximum efficiencies are possible. Experiments and numerical models were used here to examine the sensitivity of the battery and distillation column in a TRAB system to key operating variables, thereby establishing practical limits and identifying focus areas for improving performance. Battery power was eight times more sensitive to ohmic losses than kinetic and mass transfer losses, regardless of the operating temperature, and the peak power density was simulated to be 18.8 mW cm –2 at 75 °C. Theoretical energy efficiency limits were defined for a series of ammonia concentrations and operating pressures, ranging from 5 – 12%, which is 2–3 times higher than previous experimental estimations. Atmospheric pressure column operation used a larger amount of waste heat compared to sub-atmospheric pressure. It is estimated that the volume of the battery would take up 9.2m 3 for every 1% of the power output of a natural gas turbine, but with realistic improvements to cell conductivity, the size would reduce to 2.5 m 3 . Finally, the results presented in this work will help streamline future development by focusing on minimizing ohmic losses and provide specific data for full system evaluation of future TRABs.

25 ENERGY STORAGE↗
DOE OSTI2022

Power and energy capacity tradeoffs in an all-aqueous copper thermally regenerative ammonia battery

Thermally regenerative ammonia batteries (TRABs) can provide energy storage and produce electrical power from low-grade waste heat instead of electricity. The use of all-aqueous copper-based electrolytes has recently produced higher power densities than those achieved using previous TRAB approaches based on reversible metal deposition and dissolution processes, but further gains are possible in power and energy density. We investigated the limitations of power and energy density and how they are impacted by the electrolyte composition and discharge currents. By increasing the ammonia concentration from 1 to 5 M, the power density of the battery increased from 11.2 to 28.5 mW cm –2 , but the energy density decreased from 0.56 to 0.31 Wh L –1 . Increasing discharge current densities from 4 to 12.5 mA cm –2 increased the average power density during discharge from 2.4 to 5.9 mW cm –2 without appreciable losses in energy density. Increasing the copper concentration from 0.1 to 0.5 M increased both energy density to 2.15 Wh L –1 and energy efficiency to 2.2% but did not substantially impact the power density. Furthermore, these results represent the highest performance metrics achieved for a low-grade waste heat to electricity system.

25 ENERGY STORAGE↗
DOE OSTI2021

Modeling Contact Angle vs. Temperature for the Quartz-Water-Decane System

Innovative approaches are needed to improve the efficiency of oil recovery technologies to meet the growing demands of fossil-fuel based energy consumption. Enhanced oil recovery (EOR) methods such as low-salinity waterflooding and chemically tuned waterflooding aim to optimize the reservoir’s wetting properties, detaching oil globules from rock surfaces and allowing easier oil flow through pore throats. This wetting behavior is commonly quantified by contact angle measurements of the rock-oil-brine interface, which have been thoroughly investigated and theorized for many systems at ambient temperatures and pressures. However, few studies exist for extending contact angle theories away from ambient conditions. In this paper, we model the contact angles of a quartz-water-decane system at elevated temperatures using the surface tension component (STC) approach. Temperature-dependent van der Waals [Lifshitz-van der Waals (LW)] interactions and hydrogen-bonding (acid-base) interactions were calculated and are incorporated into the model for the quartz-water-decane interface. Additionally, the Hough and White procedure was used to create temperature-dependent dielectric functions of quartz, water, and normal decane for calculations of Hamaker coefficients. Hamaker coefficients calculated this way are highly linear with temperature and agree well with Israelachvili’s approximation. The acid-base interactions likely contribute the most to system wettability changes. Resulting contact angles of the quartz-water-decane system shift from water-wet (16°) to slightly water-wet (57.4°) as temperature increases. The model was also successfully verified for the quartz-air-water system. Our results can be used in future studies to determine optimal injected water compositions for specific rock-oil-brine and other systems with consideration of reservoir temperature.

02 PETROLEUM↗
DOE OSTI2021

Novel Membrane-Based Corrosion Sensors For Operating In Natural Gas Pipelines

Membrane-based electrochemical sensors (MBES) provide an attractive option for real-time continuous humidity and corrosion rate measurements inside of natural gas pipelines. The MBES, can use electrochemical techniques such as linear polarization resistance and electrochemical impedance spectroscopy even when a conductive aqueous phase is intermittent or unavailable. We now present field-test performance data of our MBES operated inside a multiphase water and natural gas flow facility. The MBES measured internal corrosion and conductivity at the top, bottom, and side of the pipe spool. Tests were carried out with flow rates of 4.6, 9.1, and 18.3 m/s, temperatures of 21, 29, and 35 °C, and a pressure of 1000 psia. All sensors followed similar trends in open circuit potential, corrosion rate, and conductivity over time. Neither flow rate, temperature, nor build-up of metal-based solids on the sensor surfaces impacted the quality of the electrochemical measurements. The field-test results confirm that the membrane-based electrochemical sensors are suitable for monitoring internal corrosion of operational natural-gas pipelines.

Duffy, Timothy↗