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DOE OSTI2022

Development of Integrated Thermal Fluids Modeling Capability for MSRs

The DOE Nuclear Energy Advanced Modeling and Simulation (NEAMS) program supports a full range of computational thermal fluids analysis capabilities and code developments for a broad class of light-water and advanced reactor concepts. The research and development approach under thermal fluids technical area synergistically combines three length and time scales in a hierarchal multi-scale approach. To demonstrate the feasibility and capabilities of a multi-scale thermal fluids capability using these codes, a key joint effort has been pursued to develop an integrated system-and engineering-scale thermal fluids analysis capability with the MOOSE-based codes, through integration of SAM and Pronghorn, both based on the MOOSE framework. This report summarizes the progress in developing an integrated system- and engineering-scale thermal fluids analysis capability based on SAM and Pronghorn for molten salt reactors (MSRs), which gained significant interest in recently years. Two coupling approaches were studied, i.e. separate domain or domain-segregated coupling approach and the domain-overlapping approach. A series of coupled multi-physics models have been developed for a common reference molten salt fast reactor (MSFR) concept, ranging from standalone SAM system model to integrated SAM-Pronghorn-Griffin models. Both the steady state and the transient simulations are performed to the state-of-the-art simulation capabilities of NEAMS software suite in MSFR system applications. This report also covers further development and testing of the gas transport model in SAM for MSR modeling support. The presence of noncondensable gas in MSR systems would have strong impacts on fission gas removal and transport of noble metals throughout the system. Fission products removed through the off-gas system can also impact reactivity and can act as an additional point of heat removal. To ensure that the gas transport model is adequately tested, the supported modeling capabilities and features of SAM were identified, and a suite of tests were developed to test the model for each identified feature. Validation and UQ testing were also performed for the model and demonstrated that the buoyancy term, which was originally developed using non-salt/helium gas experimental data, can capture the experimental gas bubble velocity and diameter to within experimental and code uncertainty. An existing MSRE model was also modified in this work to include the gas transport model and to demonstrate the gas model behavior for realistic conditions of interest.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

NASA NTRS1995

The NAS Computational Aerosciences Archive

In order to further the state-of-the-art in computational aerosciences (CAS) technology, researchers must be able to gather and understand existing work in the field. One aspect of this information gathering is studying published work available in scientific journals and conference proceedings. However, current scientific publications are very limited in the type and amount of information that they can disseminate. Information is typically restricted to text, a few images, and a bibliography list. Additional information that might be useful to the researcher, such as additional visual results, referenced papers, and datasets, are not available. New forms of electronic publication, such as the World Wide Web (WWW), limit publication size only by available disk space and data transmission bandwidth, both of which are improving rapidly. The Numerical Aerodynamic Simulation (NAS) Systems Division at NASA Ames Research Center is in the process of creating an archive of CAS information on the WWW. This archive will be based on the large amount of information produced by researchers associated with the NAS facility. The archive will contain technical summaries and reports of research performed on NAS supercomputers, visual results (images, animations, visualization system scripts), datasets, and any other supporting meta-information. This information will be available via the WWW through the NAS homepage, located at http://www.nas.nasa.gov/, fully indexed for searching. The main components of the archive are technical summaries and reports, visual results, and datasets. Technical summaries are gathered every year by researchers who have been allotted resources on NAS supercomputers. These summaries, together with supporting visual results and references, are browsable by interested researchers. Referenced papers made available by researchers can be accessed through hypertext links. Technical reports are in-depth accounts of tools and applications research projects performed by NAS staff members and collaborators. Visual results, which may be available in the form of images, animations, and/or visualization scripts, are generated by researchers with respect to a certain research project, depicting dataset features that were determined important by the investigating researcher. For example, script files for visualization systems (e.g. FAST, PLOT3D, AVS) are provided to create visualizations on the user's local workstation to elucidate the key points of the numerical study. Users can then interact with the data starting where the investigator left off. Datasets are intended to give researchers an opportunity to understand previous work, 'mine' solutions for new information (for example, have you ever read a paper thinking "I wonder what the helicity density looks like?"), compare new techniques with older results, collaborate with remote colleagues, and perform validation. Supporting meta-information associated with the research projects is also important to provide additional context for research projects. This may include information such as the software used in the simulation (e.g. grid generators, flow solvers, visualization). In addition to serving the CAS research community, the information archive will also be helpful to students, visualization system developers and researchers, and management. Students (of any age) can use the data to study fluid dynamics, compare results from different flow solvers, learn about meshing techniques, etc., leading to better informed individuals. For these users it is particularly important that visualization be integrated into dataset archives. Visualization researchers can use dataset archives to test algorithms and techniques, leading to better visualization systems, Management can use the data to figure what is really going on behind the viewgraphs. All users will benefit from fast, easy, and convenient access to CFD datasets. The CAS information archive hopes to serve as a useful resource to those interested in computational sciences. At present, only information that may be distributed internationally is made available via the archive. Studies are underway to determine security requirements and solutions to make additional information available. By providing access to the archive via the WWW, the process of information gathering can be more productive and fruitful due to ease of access and ability to manage many different types of information. As the archive grows, additional resources from outside NAS will be added, providing a dynamic source of research results.

Miceli, Kristina D.↗

NASA NTRS2014

A Process for the Creation of T-MATS Propulsion System Models from NPSS Data

A modular thermodynamic simulation package called the Toolbox for the Modeling and Analysis of Thermodynamic Systems (T-MATS) has been developed for the creation of dynamic simulations. The T-MATS software is designed as a plug-in for Simulink(Registered TradeMark) and allows a developer to create system simulations of thermodynamic plants (such as gas turbines) and controllers in a single tool. Creation of such simulations can be accomplished by matching data from actual systems, or by matching data from steady state models and inserting appropriate dynamics, such as the rotor and actuator dynamics for an aircraft engine. This paper summarizes the process for creating T-MATS turbo-machinery simulations using data and input files obtained from a steady state model created in the Numerical Propulsion System Simulation (NPSS). The NPSS is a thermodynamic simulation environment that is commonly used for steady state gas turbine performance analysis. Completion of all the steps involved in the process results in a good match between T-MATS and NPSS at several steady state operating points. Additionally, the T-MATS model extended to run dynamically provides the possibility of simulating and evaluating closed loop responses.

gas path dynamics↗

NASA NTRSDate not supplied

2022 Innovation Fair - Simulation Facility to Develop Synchronization Standards for VR Visuals and Motion

Integrating Virtual Reality into the Vertical Motion Simulator for research into the future of simulation and flight To create software and hardware for integration of a Virtual Reality (VR) Head Mounted Display (HMD) into the Ames Vertical Motion Simulator for the purpose of developing and utilizing an empirical human-in-the-loop (HITL) testing method to determine spatial and temporal registration thresholds required for aligning VR Visuals with platform base motion.

Innovation Fair↗

NASA NTRS1989

Space station dynamics, attitude control and momentum management

The Space Station Attitude Control System software test-bed provides a rigorous environment for the design, development and functional verification of GN and C algorithms and software. The approach taken for the simulation of the vehicle dynamics and environmental models using a computationally efficient algorithm is discussed. The simulation includes capabilities for docking/berthing dynamics, prescribed motion dynamics associated with the Mobile Remote Manipulator System (MRMS) and microgravity disturbances. The vehicle dynamics module interfaces with the test-bed through the central Communicator facility which is in turn driven by the Station Control Simulator (SCS) Executive. The Communicator addresses issues such as the interface between the discrete flight software and the continuous vehicle dynamics, and multi-programming aspects such as the complex flow of control in real-time programs. Combined with the flight software and redundancy management modules, the facility provides a flexible, user-oriented simulation platform.

Sunkel, John W.↗

NASA NTRS2020

Medical Data Architecture Platform and Recommended Requirements for a Medical Data System for Exploration Missions

The Medical Data Architecture (MDA) project supports the Exploration Medical Capability (ExMC) risk to minimize or reduce the risk of adverse health outcomes and decrements in performance due to in-flight medical capabilities on human exploration missions. To mitigate this risk, the ExMC MDA project addresses the technical limitations identified in ExMC Gap Med 07: We do not have the capability to comprehensively process medically- relevant information to support medical operations during exploration missions. This gap identifies that the current in-flight medical data management includes a combination of data collection and distribution methods that are minimally integrated with on-board medical devices and systems. Furthermore, there are a variety of data sources and methods of data collection. For an exploration mission, the seamless management of such data will enable a more medically autonomous crew than the current paradigm of medical data management on the International Space Station. ExMC has recognized that in order to make informed decisions about a medical data architecture framework, current methods for medical data management must not only be understood, but an architecture must also be identified that provides the crew with actionable insight to medical conditions. This medical data architecture will provide the necessary functionality to address the challenges of executing a self-contained medical system that approaches crew health care delivery without assistance from ground support. Hence, the products derived from the third MDA prototype development will directly inform exploration medical system requirements for Level of Care IV in Gateway missions. In fiscal year 2019, the MDA project developed Test Bed 3, the third iteration in a series of prototypes, that featured integrations with cognition tool data, ultrasound image analytics and core Flight Software (cFS). Maintaining a layered architecture design, the framework implemented a plug-in, modular approach in the integration of these external data sources. An early version of MDA Test Bed 3 software was deployed and operated in a simulated analog environment that was part of the Next Space Technologies for Exploration Partnerships (NextSTEP) Gateway tests of multiple habitat prototypes. In addition, the MDA team participated in the Gateway Test and Verification Demonstration, where the MDA cFS applications was integrated with Gateway-in-a-Box software to send and receive medically relevant data over a simulated vehicle network. This software demonstration was given to ExMC and Gateway Program stakeholders at the NASA Johnson Space Center Integrated Power, Avionics and Software (iPAS) facility. Also, the integrated prototypes served as a vehicle to provide Level 5 requirements for the Crew Health and Performance Habitat Data System for Gateway Missions (Medical Level of Care IV). In the upcoming fiscal year, the MDA project will continue to provide systems engineering and vertical prototypes to refine requirements for medical Level of Care IV and inform requirements for Level of Care V.

Krihak, M.↗

NASA NTRS2020

Medical Data Architecture Platform and Recommended Requirements for A Medical Data System for Exploration Missions

Minimize or reduce the risk of adverse health outcomes and decrements in performance due to in-flight medical capabilities on human exploration missions. To mitigate this risk, the ExMC MDA project addresses the technical limitations identified in ExMC Gap Med 07: We do not have the capability to comprehensively process medically relevant information to support medical operations during exploration missions. This gap identifies that the current in-flight medical data management includes a combination of data collection and distribution methods that are minimally integrated with on-board medical devices and systems. Furthermore, there are a variety of data sources and methods of data collection. For an exploration mission, the seamless management of such data will enable a more medically autonomous crew than the current paradigm of medical data management on the International Space Station. ExMC has recognized that in order to make informed decisions about a medical data architecture framework, current methods for medical data management must not only be understood, but an architecture must also be identified that provides the crew with actionable insight to medical conditions. This medical data architecture will provide the necessary functionality to address the challenges of executing a self-contained medical system that approaches crew health care delivery without assistance from ground support. Hence, the products derived from the third MDA prototype development will directly inform exploration medical system requirements for Level of Care IV in Gateway missions.In fiscal year 2019, the MDA project developed Test Bed 3, the third iteration in a series of prototypes, that featured integrations with cognition tool data, ultrasound image analytics and core Flight Software (cFS). Maintaining a layered architecture design, the framework implemented a plug-in, modular approach in the integration of these external data sources. An early version of MDA Test Bed 3 software was deployed and operated in a simulated analog environment that was part of the Next Space Technologies for Exploration Partnerships (NextSTEP) Gateway tests of multiple habitat prototypes. In addition, the MDA team participated in the Gateway Test and Verification Demonstration, where the MDA cFS applications was integrated with Gateway-in-a-Box software to send and receive medically relevant data over a simulated vehicle network. This software demonstration was given to ExMC and Gateway Program stakeholders at the NASA Johnson Space Center Integrated Power, Avionics and Software (iPAS) facility. Also, the integrated prototypes served as a vehicle to provide Level 5 requirements for the Crew Health and Performance Habitat Data System for Gateway Missions (Medical Level of Care IV). In the upcoming fiscal year, the MDA project will continue to provide systems engineering and vertical prototypes to refine requirements for medical Level of Care IV and inform requirements for Level of Care V.

Krihak, M.↗

NASA NTRS1984

Operating system for a real-time multiprocessor propulsion system simulator

The success of the Real Time Multiprocessor Operating System (RTMPOS) in the development and evaluation of experimental hardware and software systems for real time interactive simulation of air breathing propulsion systems was evaluated. The Real Time Multiprocessor Operating System (RTMPOS) provides the user with a versatile, interactive means for loading, running, debugging and obtaining results from a multiprocessor based simulator. A front end processor (FEP) serves as the simulator controller and interface between the user and the simulator. These functions are facilitated by the RTMPOS which resides on the FEP. The RTMPOS acts in conjunction with the FEP's manufacturer supplied disk operating system that provides typical utilities like an assembler, linkage editor, text editor, file handling services, etc. Once a simulation is formulated, the RTMPOS provides for engineering level, run time operations such as loading, modifying and specifying computation flow of programs, simulator mode control, data handling and run time monitoring. Run time monitoring is a powerful feature of RTMPOS that allows the user to record all actions taken during a simulation session and to receive advisories from the simulator via the FEP. The RTMPOS is programmed mainly in PASCAL along with some assembly language routines. The RTMPOS software is easily modified to be applicable to hardware from different manufacturers.

Cole, G. L.↗

DOE OSTI2020

From smart homes to smart laboratories: connected instruments for materials science

The current focus on artificial intelligence and machine learning in the scientific community has the potential to greatly speed up discovery. In this article, we explore what a “smart facility” would mean for materials science. We propose to capture meta-data at every step of an experiment, including materials synthesis, sample production and characterization, simulation, and the analysis software used to extract information. Although most of this information is captured in various institutional systems and staff logbooks, more insight could be obtained by connecting this information through a system that allows automation. AI-enabled processes built on such a system would have the potential of making experiment planning easier and minimize the time between experiment and publication.

Doucet, Mathieu↗

DOE OSTI2022

Chemical and environmental stability of monazite-cheralite solid solutions Ln 1-2 x Ca x Th x PO 4 (Ln = Pr, Nd; x = 0–0.15): A thermodynamic study

Monazite-cheralite ceramics are a promising waste form for actinides. To elucidate the long-term behavior of this matrix in aqueous solutions, this study measured thermodynamic data for Th-rhabdophanes Ln 1-2 x Ca x Th x PO 4 ·nH 2 O (with Ln = Pr, Nd; x = 0–0.15) and the associated anhydrous monazite-cheralites Ln 1-2 x Ca x Th x PO 4 . Further, solubility experiments at 298K and high temperature oxide melt solution calorimetry were combined for calculation of ΔG$^°_f$, ΔH$^°_f$ and S$^°_m$ of Th-rhabdophanes and associated monazite-cheralites. Standard solubility constants were employed in a geochemical simulation using the PHREEQC software, the results of which confirmed the high chemical stability of the monazite-cheralite phases and supported their use as a specific conditioning matrix for the long-term immobilization of actinides.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

DINGO: Digital assistant to grid operators for resilience management of power distribution system

With increasing adverse weather events and disasters, enabling resiliency of the power distribution system (PDS) is becoming increasingly important. Here in this work, resiliency is defined as the systems ability to keep supplying critical loads even with multiple contingencies. Resiliency may depend on: (a) advanced tools to assist operators in situational awareness and decision making with the increasing volume of data generated by the PDS, (b) visualization and ease of interaction with system resources and information, especially during extreme events and resulting human operator stress, and (c) flexible resources and autonomous control. Operators and support engineers need to interact with the system for key information and take action under stress, given the requirement for decisions in a short time. Integrated technological solutions are prevailing steps to support the most appropriate decision during critical times to serve essential loads. In order to meet the required goals, a Real-time Resiliency Monitoring and Operational Decision Support (RT-RMOD) tool have been developed. It supports various functionalities, including real-time monitoring, resilience assessment, and proactive decision support. However, this work makes advanced feature additions to the tool by developing data-enabled resilience management algorithms for (i) outage detection and localization, (ii) Resiliency-metric driven restoration and reconfiguration, and (iii) NLP based digital assistant for operators called DINGO (DIgital assistaNt to Grid Operators) to interact with Advanced Distribution Management System (ADMS) and RT-RMOD. The developed algorithm was validated for multiple cases of weather events using a real-world, off-grid microgrid system modeled in a real-time simulator, sensor data, and software tools.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2022

Model development for flash boiling spray and validations with isooctane, hexane, ethanol and their binary mixtures

The objective of this study is to develop a comprehensive model for spray atomization under the consideration of flash boiling, which includes nucleation, bubble growth, and droplet breakup. Although flash boiling has been previously studied, there is still no well-established analytical and numerical model of their mechanisms, or general guidelines on the implementation of this atomization strategy. In this study, detailed formulations are elaborated for the unified spray atomization model under both non-flash and flash boiling conditions. Next, the model was implemented into CFD software and 3-D simulations were performed for model validations. Two fuel blends are tested: ethanol-isooctane blends and hexane-isooctane blends. Simulation results were compared with the experimental measurements conducted using two methodologies, DBI (Diffuse Backlight Imaging) system for spray images captured by a high-speed camera, and a PDA (Phase Doppler Anemometry) system for droplet size measurement during the spray injection process. It was found that the current flash boiling model can accurately capture the spray characteristics under different environment conditions, such as the spray plume interactions and liquid penetration. The averaged Sauter mean diameter (SMD) calculations match the measurement sufficiently well. The spray structures for both single- and multi-component fuels during the injection process are well represented by current model.

42 ENGINEERING↗

DOE OSTI2021

Formulation and calibration of two-dimensional constitutive models for composite structures based on panel tests

Steel Plate Concrete (SC) composite members have been widely adopted because of its cost-efficiency and enhanced structural behavior. While researchers have attempted to study its in-plane shear behavior in the past twenty years, very limited number of large-scale pure shear tests were performed due to the challenge of experimental set-up and the availability of facilities. In this paper, a series of uniaxial loading tests and two full-scale pure shear panel tests of SC members were reported, on which the “mechanics-based Membrane Model of SC elements (MM-SC)” is developed. The MM-SC model is based on the fixed-angle crack formulation and the smeared-crack formulation, in which the experimental-based uniaxial constitutive models are implemented, considering the local buckling of faceplate, the tension stiffening of steel plate, the strength degradation of cracked concrete and the confinement effect of concrete. The proposed MM-SC model is subsequently incorporated into the object-oriented software OpenSEES. Finally, the simulation results of proposed model well predict the SC test observations in terms of critical branch points and structural behaviors, including initial stiffness, cracking strength, post-crack stiffness, yield strength, maximum strength, and failure modes.

42 ENGINEERING↗

DOE OSTI2021

Controlled dehumidification to extract clean water from a multicomponent gaseous mixture of organic contaminants

Rapid expansion of the unconventional oil and gas extraction has increased American energy independence, but also led to increased production of large amounts of contaminated water. Wastewater from the oil and gas industry contains a wide range of contaminants. Injecting such contaminated water into disposal wells or discharging it to the environment jeopardizes freshwater resources. Conventional and membrane-based wastewater treatment techniques are often not effective choices to treat highly contaminated wastewater; however, a suitable way to remove contaminants from wastewater is to selectively separate water in a process analogous to humidification-dehumidification (HDH). Only a few studies have investigated the use of HDH for wastewater treatment. In this study, a novel HDH system is introduced for treating highly contaminated water, such as oil and gas flowback and produced water. In this HDH process, a non-condensable gas, such as air, mixes with wastewater vapor to facilitate the separation of contaminants. As a result, clean water condenses from the multicomponent gaseous mixture while air carries organic contaminants out of the dehumidification section. A laboratory apparatus was constructed and experiments were performed to investigate the HDH process for wastewater treatment and to study the effects of flow dynamics including air flow rate on the composition of treated water. Different contaminants including benzene, toluene, 2-propanol and 2-butoxyethanol were tested. Experimental results showed that the system can be successfully applied for removing volatile and/or toxic organic contaminants from wastewater. A representative multicomponent mixture of fracking wastewater was successfully treated using the experimental setup and clean water with quality of 98.3% was obtained. It was revealed that increasing the air-to-vapor mass ratio improves purity of treated water. Quantitative analysis showed that by increasing the air-to-vapor mass ratio from 0.6 to 5.9, the fraction of separated 2-propanol through the air was improved from 43% to more than 96% of the initial amount. ASPEN software was employed to simulate equilibrium conditions. Finally, experimental results were observed to have lower mass fraction of residual contaminant in the treated water compared to equilibrium state.

42 ENGINEERING↗

DOE OSTI2021

Using a Coarse-Grained Modeling Framework to Identify Oligomeric Motifs with Tunable Secondary Structure

Coarse-grained modeling can be used to explore general theories that are independent of specific chemical detail. In this paper, we present cg_openmm, a Python-based simulation framework for modeling coarse-grained hetero-oligomers and screening them for structural and thermodynamic characteristics of cooperative secondary structures. cg_openmm facilitates the building of coarse-grained topology and random starting configurations, setup of GPU-accelerated replica exchange molecular dynamics simulations with the OpenMM software package, and features a suite of postprocessing thermodynamic and structural analysis tools. In particular, native contact analysis, heat capacity calculations, and free energy of folding calculations are used to identify and characterize cooperative folding transitions and stable secondary structures. In this work, we demonstrate the capabilities of cg_openmm on a simple 1–1 Lennard-Jones coarse-grained model, in which each residue contains 1 backbone and 1 side-chain bead. By scanning both nonbonded and bonded force-field parameter spaces at the coarse-grained level, we identify and characterize sets of parameters which result in the formation of stable helices through cooperative folding transitions. Furthermore, we show that the geometries and stabilities of these helices can be tuned by manipulating the force-field parameters.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Adapting the Electron Beam from SEM as a Quantitative Heating Source for Nanoscale Thermal Metrology

The electron beam (e-beam) in the scanning electron microscopy (SEM) provides an appealing mobile heating source for thermal metrology with spatial resolution of ~1 nm, but the lack of systematic quantification of the e-beam heating power limits such application development. Here, we systemically study e-beam heating in LPCVD silicon nitride (SiN x ) thin-films with thickness ranging from 200 to 500 nm from both experiments and complementary Monte Carlo simulations using the CASINO software package. There is good agreement about the thickness-dependent e-beam energy absorption of thin-film between modeling predictions and experiments. Using the absorption results, we then demonstrate adapting the e-beam as a quantitative heating source by measuring the thickness-dependent thermal conductivity of SiN x thin-films, with the results validated to within 7% by a separate Joule heating experiment. The results described here will open a new avenue for using SEM e-beams as a mobile heating source for advanced nanoscale thermal metrology development.

42 ENGINEERING↗

DOE OSTI2021

Electrochemically Engineered, Highly Energy-Efficient Conversion of Ethane to Ethylene and Hydrogen below 550 °C in a Protonic Ceramic Electrochemical Cell

Ethylene is one of the largest building blocks in the petrochemical industry, mainly produced by steam cracking of ethane derived from naphtha or shale gas at high temperatures (>800 °C). Despite its technical maturity and economic competitiveness, the thermal steam cracking of ethane is highly energy-intensive. In this work, an electrochemically engineered direct conversion process of ethane to produce hydrogen and ethylene using a planar protonic ceramic membrane reactor with a bi-functional three-dimensional catalytic electrode is reported, with a single-pass ethane conversion of 40% and ethylene yield of 26.7% at 550 °C. Compared with the industrial ethane steam cracking, this method saves process energy input by 45.1% and improves process energy efficiency by 50.6%, based on comprehensive process simulation using Aspen Plus software. Further, steam electrolysis treatment under the solid oxide electrolysis cell mode can regenerate the system’s catalytic performance and significantly alleviate catalytic degradation by 74%, demonstrating high techno-economic viability.

bi-functional electrode↗

DOE OSTI2023

Special Topic on High Performance Computing in Chemical Physics

Computational modeling and simulation have become indispensable scientific tools in virtually all areas of chemical, biomolecular, and materials systems research. Computation can provide unique and detailed atomic level information that is difficult or impossible to obtain through analytical theories and experimental investigations. In addition, recent advances in micro-electronics have resulted in computer architectures with unprecedented computational capabilities, from the largest supercomputers to common desktop computers. In conclusion, combined with the development of new computational domain science methodologies and novel programming models and techniques, this has resulted in modeling and simulation resources capable of providing results at or better than experimental chemical accuracy and for systems in increasingly realistic chemical environments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗