bluuebunny/crossref_metadata_2025_split huggingface dataset:
Gas Production, 1. Introduction
Authors: Hiller Heinz , Reimert Rainer , Stönner Hans‐Martin 
Published: November 2011

Abstract

The article contains sections titled:

1.

Types of Gases; General Overview of Production Methods and Characteristics

1.1.

Water Gas and Producer Gas

1.2.

Synthesis Gas and Reduction Gas

1.3.

Town Gas and Medium‐Btu Gas

1.4.

Biogas and Landfill Gas

1.5.

Rich Gas and Substitute Natural Gas (SNG)

2.

Raw Materials for Gasification

3.

Physicochemical Basis for Gas Production

4.

Characteristics of the Basic Processes

5.

Product Gas Treatment

5.1.

Purification Processes

5.2.

Conditioning

5.3.

Byproducts

6.

Acknowledgement
Heat Storage Media
Authors: Tamme Rainer , Bauer Thomas , Hahne Erich 
Published: November 2011

AbstractThe article contains sections titled:1.Introduction2.Practical Principles for Heat Storage Media3.Storage of Sensible Heat3.1.Solid Storage Materials3.2.Liquid Storage Materials4.Storage of Latent Heat4.1.Cold storage (0 °C and below)4.2.Low temperature storage (0 to 120 °C)4.3.High‐temperature storage (above 120 °C)4.4.Heat transfer concepts and composites5.Storage of Chemical Heat5.1Thermochemical Transformer and Chemical Heat Pump5.2Adsorption Processes5.3.Absorption Processes
Magnesium Compounds
Authors: Seeger Margarete , Otto Walter , Flick Wilhelm , Bickelhaupt Friedrich , Akkerman Otto S. 
Published: November 2011

AbstractThe article contains sections titled:1.Introduction2.Magnesium Carbonate3.Magnesium Chloride3.1.Properties3.2.Raw Materials3.3.Production3.3.1.Precipitation of Magnesium Hydroxide from Seawater3.3.2.Recovery from Spent Liquors from the Potash Industry3.3.3.Evaporation of Seawater and Natural Brines3.3.4.Solution Mining3.3.5.Other Methods3.3.6.Production of Magnesium Chloride Hydrates3.3.7.Production of Anhydrous Magnesium Chloride3.3.8.Purification of Magnesium Chloride Solutions3.3.9.Materials of Construction for the Evaporation of Magnesium Chloride Solutions3.4.Environmental and Legal Aspects3.5.Quality Specifications and Analysis3.6.Transportation and Storage3.7.Uses3.8.Economic Aspects3.9.Toxicology and Occupational Health4.Magnesium Oxide and Hydroxide4.1.Properties4.2.Production of Magnesium Oxide4.2.1.Production from Magnesite4.2.2.Production from Seawater4.2.3.Production from Brines4.2.4.Miscellaneous Processes4.2.5.Burning of Caustic and Sintered Magnesia4.3.Uses4.3.1.Use of Sintered Magnesia as a Refractory4.3.2.Use of Sintered Magnesia as a Heat‐Storage Medium4.3.3.Uses of Caustic Magnesia4.3.4.Uses of Magnesium Hydroxide4.4.Economic Aspects4.5.Fused Magnesium Oxide4.5.1.Properties4.5.2.Production4.5.3.Uses4.5.4.Economic Aspects5.Magnesium Sulfate5.1.Properties5.2.Occurrence and Raw Materials5.3.Production5.3.1.Production of Kieserite (MgSO4· H2O)5.3.2.Production of Epsom Salt5.3.3.Production of Anhydrous Magnesium Sulfate5.4.Quality Specifications and Analysis5.5.Transportation and Storage5.6.Uses5.7.Economic Aspects5.8.Toxicology and Occupational Health6.Organomagnesium Compounds6.1.Properties6.2.Production6.2.1.Grignard Reagents6.2.2.Diorganylmagnesium Compounds6.3.Uses
Methacrylic Acid and Derivatives
Authors: Bauer William 
Published: November 2011

AbstractThe article contains sections titled:1.Introduction2.Properties2.1.Physical Properties2.2.Chemical Properties3.Production3.1.Methacrylic Acid and Methyl Methacrylate from Acetone Cyanohydrin3.2.Methacrylic Acid from Isobutene3.3.Methacrylic Acid from Isobutyric Acid3.4.Methacrylic Acid From Ethylene4.Quality Specifications5.Storage and Transportation6.Uses7.Economic Aspects8.Toxicology and Occupational Health
Nuclear Technology, 1. Fundamentals
Authors: Teuchert Eberhard 
Published: November 2011

AbstractThe article contains sections titled:1.Introduction2.Design of a Nuclear Reactor3.Physical Processes3.1.Structure of Atomic Nuclei3.2.Reactions with Neutrons3.3.Decay3.4.Cross‐Sections3.5.Moderation of Neutrons3.6.Neutron Flux3.7.Time Dependence of Neutron Flux3.8.Reaction Rates3.9.Burnup and Control3.10.Fission Products and Actinides
Octane Enhancers
Authors: Di Girolamo Marco , Brianti Maura , Conte Massimo , Marchionna Mario 
Published: November 2011

Abstract

The article contains sections titled:

1.

Introduction

2.

Technical Information

2.1.

Combustion in Otto Engines

2.2.

Knock Phenomena

2.3.

Octane Number

3.

Types of Octane Enhancers

4.

Metal‐Containing Additives

4.1.

Alkyl Lead Compounds

4.2.

Methylcyclopentadienylmanganese Tricarbonyl

5.

Ashless Octane Enhancers

5.1.

Heteroatom‐Based Components

5.1.1.

History of Fuel Oxygenates

5.1.2.

Properties of Oxygenates

5.1.3.

Production

5.1.4.

Toxicology

5.2.

Pure Hydrocarbon Components
Pulp
Authors: Patt Rudolf , Kordsachia Othar , Süttinger Richard 
Published: November 2011

AbstractThe article contains sections titled:1.Chemical Pulp1.1.Raw Materials1.2.Processing of Raw Materials1.2.1.Processing of Wood1.2.2.Processing of Annual Plants1.3.Chemical Pulping Processes1.3.1.Alkaline Pulping Processes1.3.1.1.Kraft (Sulfate) Pulping1.3.1.2.Soda Pulping of Annual Plants1.3.2.Sulfite Process1.3.2.1.Reactions in Sulfite Pulping1.3.2.2.The Various Sulfite Processes1.3.2.3.Multistage Sulfite Processes1.3.2.4.Anthraquinone‐Catalyzed Sulfite Pulping1.3.3.Other Pulping Processes1.3.3.1.Nitric Acid Pulping1.3.3.2.Pulping with Organic Solvents1.3.3.3.Pulping with Organic Acids1.4.Technology of Pulp Production1.4.1.Pulping1.4.2.Washing and Screening of Pulp1.4.3.Pulp Drying1.5.Waste Liquor Treatment1.5.1.Recovery of Useful Products from Waste Liquor1.5.2.Energy Generation from Waste Liquor1.5.3.Chemicals Recovery1.6.Pulp Bleaching1.6.1.Conventional Bleaching1.6.2.Chlorine‐Reduced and Chlorine‐Free Pulp Bleaching1.6.3.Technology of Bleaching1.7.Environmental Aspects of Chemical Pulp Production1.8.Pulp Properties and Applications2.Mechanical Pulp2.1.Introduction2.1.1.The Raw Material, Wood2.1.2.Characteristics Required of Mechanical Pulps2.2.Groundwood2.2.1.The Grinder Stone2.2.2.Groundwood Production2.2.3.Newer Methods of Groundwood Production2.3.Refiner Mechanical Pulps2.3.1.Historical Survey2.3.2.Theory of the Refiner Process2.3.3.TMP Production2.3.4.New Methods of Refiner Pulp Production2.4.Screening of Mechanical Pulps2.4.1.Purpose of Screening2.4.2.Mechanical Pulp Screening2.5.Bleaching of Mechanical Pulps2.6.Comparison of Mechanical Pulps
Radionuclides, 1. Introduction
Authors: Luig Heribert , Kellerer Albrecht M. , Griebel Jürgen 
Published: November 2011

AbstractThe article contains sections titled:1.Nucleons2.Timeline of Discoveries in Radioactivity3.Nuclides and Radionuclides4.The Law of Radioactive Decay5.Interaction between Radiation and Matter5.1.Interaction between Gamma Quanta and Matter5.2.Interaction between Electrons and Matter5.3.Interaction between Positrons and Matter5.4.Interaction between Alpha Particles and Matter5.5.Interaction between Neutrons and Matter5.6.Interaction between Neutrinos and Matter6.The Biological Effects of Radiation and Radionuclides6.1.Physical Radiation Effects6.2.Molecular Radiation Effects6.2.1.Radiation Damage to DNA6.2.2.Repair of DNA Damage in the Cell6.3.Cellular Radiation Effects6.4.Radiation Effects on Tissue6.5.Radiation Hazards6.5.1.Radiation Carcinogenesis6.5.2.Hereditary Radiation Effects6.5.3.Teratogenic Radiation Effects6.6.Radionuclides6.6.1.Radionuclides of Concern in Radiation Protection6.6.2.Exposure of the Population due to Natural and Artificial Radioisotopes6.7.Basic Principles of Radiation Protection
Resorcinol
Authors: Schmiedel Klaus W. , Decker Daniel 
Published: November 2011

AbstractThe article contains sections titled:1.Introduction2.Physical Properties3.Chemical Properties4.Production4.1.Via Sulfonation of Benzene4.2.Via Hydroperoxidationofm‐Diisopropylbenzene4.3.Other Processes5.Environmental Protection6.Quality Specifications and Analysis7.Uses8.Transport Classifications and Occupational Health
Water, 1. Properties, Analysis and Hydrological Cycle
Authors: Weingärtner Hermann , Franck Ernst Ulrich , Wiegand Gabriele , Dahmen Nicolaus , Schwedt Georg , Frimmel Fritz H. , Gordalla Birgit C. 
Published: November 2011

AbstractThe article contains sections titled:1.Water as a Solvent1.1.Properties of Pure Water1.1.1.Molecular Properties1.1.2.Hydrogen Bonding and Water Structure1.1.3.Bulk Properties of Liquid Water1.2.Aqueous Solutions1.2.1.General Solvent Properties1.2.2.Solutions of Simple Nonpolar Gases1.2.3.Solutes with Hydrophilic Groups1.2.4.Electrolyte Solutions2.Water at High Pressure and Temperature2.1.Properties of Ice2.1.1.Thermodynamic Properties2.1.2.Transport Properties2.1.3.Electrolytic Properties2.1.4.Mechanical Properties2.2.Properties of Fluid Water2.2.1.Thermodynamic Properties2.2.2.Transport Properties2.2.3.Electrolytic Properties2.2.4.Other Physical Properties2.3.Properties of Water Vapor2.4.Water in the Supercritical State3.Water Analysis3.1.Sampling and Sample Preservation3.2.Physicochemical and Sum Parameters3.3.Inorganic Analysis3.3.1.Determination of Cations3.3.2.Anion Analysis3.3.3.Determination of Dissolved Gases3.3.4.Quick Test Processes3.4.Organic Analysis3.4.1.Spectrometric Methods3.4.2.Gas and Liquid Chromatography3.5.Biochemical Methods4.Hydrological Cycle and Water Use4.1.World Water Balance4.2.Hydrological Cycle4.3.Demand for Water4.4.Source of Water Used4.5.Water Treatment5.Acknowledgement
Solvent exposures and parkinson disease risk in twins
Authors: Goldman Samuel M. , Quinlan Patricia J. , Ross G. Webster , Marras Connie , Meng Cheryl , Bhudhikanok Grace S. , Comyns Kathleen , Korell Monica , Chade Anabel R. , Kasten Meike , Priestley Benjamin , Chou Kelvin L. , Fernandez Hubert H. , Cambi Franca , Langston J. William , Tanner Caroline M. 
Published: November 2011

AbstractObjective:Several case reports have linked solvent exposure to Parkinson disease (PD), but few studies have assessed associations with specific agents using an analytic epidemiologic design. We tested the hypothesis that exposure to specific solvents is associated with PD risk using a discordant twin pair design.Methods:Ninety‐nine twin pairs discordant for PD ascertained from the National Academy of Sciences/National Research Council World War II Veteran Twins Cohort were interviewed regarding lifetime occupations and hobbies using detailed job task–specific questionnaires. Exposures to 6 specific solvents selected a priori were estimated by expert raters unaware of case status.Results:Ever exposure to trichloroethylene (TCE) was associated with significantly increased risk of PD (odds ratio [OR], 6.1; 95% confidence interval [CI] 1.2–33; p = 0.034), and exposure to perchloroethylene (PERC) and carbon tetrachloride (CCl4) tended toward significance (respectively: OR, 10.5; 95% CI, 0.97–113; p = 0.053; OR, 2.3; 95% CI, 0.9–6.1; p = 0.088). Results were similar for estimates of exposure duration and cumulative lifetime exposure.Interpretation:Exposure to specific solvents may increase risk of PD. TCE is the most common organic contaminant in groundwater, and PERC and CCl4 are also ubiquitous in the environment. Our findings require replication in other populations with well‐characterized exposures, but the potential public health implications are substantial. ANN NEUROL 2011
The loss of α2β1 integrin suppresses joint inflammation and cartilage destruction in mouse models of rheumatoid arthritis
Authors: Peters Marvin A. , Wendholt Doreen , Strietholt Simon , Frank Svetlana , Pundt Noreen , Korb‐Pap Adelheid , Joosten Leo A. B. , van den Berg Wim B. , Kollias George , Eckes Beate , Pap Thomas 
Published: November 2011

AbstractObjectiveIntegrin α2β1 functions as a major receptor for type I collagen on different cell types, including fibroblasts and inflammatory cells. Although in vitro data suggest a role for α2β1 integrin in regulating both cell attachment and expression of matrix‐degrading enzymes such as matrix metalloproteinases (MMPs), mice that lack the α2 integrin subunit (Itga2−/−mice) develop normally and are fertile. We undertook this study to investigate the effect ofItga2deficiency in 2 different mouse models of destructive arthritis: the antigen‐induced arthritis (AIA) mouse model and the human tumor necrosis factor α (TNFα)–transgenic mouse model.MethodsAIA was induced in the knee joints ofItga2−/−mice and wild‐type controls. Human TNF–transgenic mice were crossed withItga2−/−mice and were assessed clinically and histopathologically for signs of arthritis, inflammation, bone erosion, and cartilage damage. MMP expression, proliferation, fibroblast attachment, and ERK activation were determined.ResultsUnder arthritic conditions,Itga2deficiency led to decreased severity of joint pathology. Specifically,Itga2−/−mice showed less severe clinical symptoms and dramatically reduced pannus formation and cartilage erosion. Mice lacking α2β1 integrin exhibited reduced MMP‐3 expression, both in their sera and in fibroblast‐like synoviocytes (FLS), due to impaired ERK activation. Further, both the proliferation and attachment of FLS to cartilage were partially dependent on α2β1 integrin in vitro and in vivo.ConclusionOur findings suggest that α2β1 integrin contributes significantly to inflammatory cartilage destruction by promoting fibroblast proliferation and attachment and MMP expression.
Synthesis of (Glycopyranosyl‐triazolyl)‐purines and Their Inhibitory Activities against Protein Tyrosine Phosphatase 1B (PTP1B)
Authors: Luo Lei , He Xiao‐Peng , Shen Qiang , Li Jing‐Ya , Shi Xiao‐Xin , Xie Juan , Li Jia , Chen Guo‐Rong 
Published: November 2011

AbstractDevelopment of novel purine derivatives has attracted considerable interest, since both purine and purine‐based nucleosides display a wide range of crucial biological activities in nature. We report here a novel expansion of these studies by introducing gluco‐ or galactopyranosyl scaffold to the N‐ or 9‐position (or both) of 6‐Cl purine moiety via CuI‐catalyzed Huisgen 1,3‐dipolar cycloaddition. By such an efficient reaction, a series of glycosyl‐triazolyl‐purines were successfully synthesized in good yields. Biological evaluation showed that the majority of these glycoconjugates were good PTP1B inhibitors with IC50 values in low micromolar range (1.5–11.1 μM). The benzylated sugar derivatives displayed better inhibitory potency than that of the acetylated ones. Replacement of Cl by MeO at C(6) of the purine moiety decreased the inhibition in the case of benzylated (glycosyl‐mono‐triazolyl)‐purines 11 and 12 (IC50>80 μM), whereas MeO‐substituted benzylated bis[galactosyl‐triazolyl]‐purine 16 possessed the best inhibitory activity with an IC50 value of 1.5 μM. Additionally, these compounds exhibited 2‐ to 57‐fold selectivity over other PTPs (TCPTP, SHP1, SHP2, and LAR).
Novel Tirucallane‐Type Triterpenoids from Aphanamixis grandifolia
Authors: Wang Jun‐Song , Zhang Yao , Wei Dan‐Dan , Wang Xiao‐Bing , Luo Jun , Kong Ling‐Yi 
Published: November 2011

AbstractPhytochemical investigation on the stem bark of Aphanamixis grandifolia afforded five novel tirucallane‐type triterpenoids, (13α,14β,17α,23Z)‐25‐methoxy‐21,23‐epoxylanosta‐7,20(22),23‐triene‐3,21‐dione (1), (13α,14β,17α,23Z)‐21,23‐epoxylanosta‐7,20(22),23,25‐tetraene‐3,21‐dione (2), (3R,5R, 9R,10R,13S,14S,17S)‐17‐{(2R,3S,5R)‐5‐[(2S)‐3,3‐dimethyloxiran‐2‐yl]‐2,3,4,5‐tetrahydro‐2,5‐dimethoxyfuran‐3‐yl}‐4,4,10,13,14‐pentamethyl‐2,3,4,5,6,9,10,11,12,13,14,15,16,17‐tetradecahydro‐1H‐cyclopenta[a]phenanthren‐3‐ol (3), (5R,9R,10R,13S,14S,17S)‐17‐{(2R,3S,5R)‐5‐[(2S)‐3,3‐dimethyloxiran‐2‐yl]‐2,5‐dimethoxytetrahydrofuran‐3‐yl}‐1,2,4,5,6,9,10,11,12,13,14,15,16,17‐tetradecahydro‐4,4,10,13,14‐pentamethyl‐3H‐cyclopenta[a]phenanthren‐3‐one (4), and (3α,13α,14β,17α,20S,23R)‐23‐ethoxy‐3‐hydroxy‐21,23‐epoxylanost‐7‐en‐24‐one (5). The 1H‐ and 13C‐NMR spectra of all compounds were fully assigned using a combination of 2D‐NMR experiments, including HSQC, HMBC, and ROESY sequences. The structure of 1 with the absolute configuration was determined by ECD calculation. Compounds 3 and 4 showed moderate activities against human MCF‐7 and HeLa cancer cells.
Volatile Components of Whole and Different Plant Parts of Bastard Balm (Melittis melissophyllum L., Lamiaceae) Collected in Central Italy and Slovakia
Authors: Maggi Filippo , Mártonfi Pavol , Conti Fabio , Cristalli Gloria , Papa Fabrizio , Sagratini Gianni , Vittori Sauro 
Published: November 2011

AbstractThe aim of this work was to trap the volatiles released from whole frozen and dry aerial parts, and, separately, from different organs (leaves, stems, corolla and calyx) of bastard balm (Melittis melissophyllum L., Lamiaceae) populations collected in Italy and Slovakia by HS‐SPME, and to identify the headspace constituents responsible for the characteristic aroma impression by GC/FID and GC/MS techniques. Among more than 100 volatile components detected, the C8 alcohol oct‐1‐en‐3‐ol, responsible for the typical mushroom‐like odor, and the phenolic coumarin, with a characteristic sweet and creamy vanilla bean odor, played a major role in the aroma of whole aerial parts and different plant organ samples. In particular, dry calyx parts could be proposed as flavoring agent in food products as mushroom aroma enhancer. Multivariate chemometric techniques, such as cluster analysis and principal component analysis, were used to characterize the sample populations according to the geographical origin and processing of plant material.
Triterpenes from the Fungus Poria cocos and Their Inhibitory Activity on Nitric Oxide Production in Mouse Macrophages via Blockade of Activating Protein‐1 Pathway
Authors: Cai Tian‐Ge , Cai Yu 
Published: November 2011

AbstractTwo new triterpenes, 29‐hydroxydehydrotumulosic acid (1) and 29‐hydroxydehydropachymic acid (2), together with six known compounds, dehydropachymic acid (3), dehydrotumulosic acid (4), 29‐hydroxypolyporenic acid C (5), polyporenic acid C (6), tumulosic acid (7), and pachymic acid (8), were isolated from the dried sclerotia of Poria cocos. In the in vitro bioassays, these isolated compounds reduced, in a dose‐dependent manner, nitric oxide (NO) production from lipopolysaccharide (LPS)‐induced RAW 264.7 cells, with compounds 5 and 6, the IC50 values of which were 16.8±2.7 and 18.2±3.3 μM, respectively, exhibiting the greatest inhibition activity. Further Western blot analysis conducted on cells pre‐treated with compounds 5 and 6, and luciferase assays on activator protein 1‐dependent gene expression revealed that the inhibited NO release was attributed to the reduced expression of iNOs (=inducible NO synthase) enzymes, which might be regulated via the blockade of activator protein‐1 signaling pathway.
Anticandidal Activity of the Essential Oil of Nepeta transcaucasicaGrossh.
Authors: İşcan Gökalp , Köse Y. Bülent , Demirci Betül , Can Başer K. Hüsnü 
Published: November 2011

AbstractHydrodistallation of the aerial parts of Nepeta transcaucasica Grossh. (Lamiaceae), collected in Ağrı, Doğubayazıt Province, afforded an essential oil that was characterized by GC and GC/MS analyses. Twenty‐seven compounds, representing 97.69% of the total oil composition, were identified, and 4aα,7α,7aβ‐nepetalactone (1; 39%), 4aα,7α,7aα‐nepetalactone (2; 28%), and germacrene D (3; 15%) constituted the major components. The anticandidal effects of the oil were evaluated against seven Candida strains by using the broth microdilution method. The oil showed good inhibitory effects against C. glabrata and C. tropicalis at minimal inhibitory concentrations (MICs) of 0.09 and 0.375 mg/ml, respectively.
Composition of the Essential Oils in Various Organs at Different Developmental Stages of Ammi visnaga (L.) Lam. from Tunisia
Authors: Sellami Hela Kallel , Flamini Guido , Cioni Pier Luigi , Smiti Samira 
Published: November 2011

AbstractThe composition of the essential oils isolated by hydrodistillation from various organs at different development stages of Ammi visnaga (L.) Lam. growing in Tunisia was determined by GC/MS analysis. In particular, the oil profiles of the leaves, stems, flower buds, roots, umbels, and fruits have been examined during the whole life cycle. The oil from the flowering aerial parts was characterized by a high content of isoamyl 2‐methylbutanoate. After flowering and during desiccation and fructification, the umbels and fruits expressed a high content of linalool. The oils, extracted from the roots collected in the vegetatif, buds floral, and floral stages, were rich in monoterpene aldehydes, oxygenated monoterpenes, and monoterpene hydrocarbons. The highest level of non‐terpene hydrocarbons was found at the flower‐bud stage, represented by 61.3% of nonane. Among the monoterpenes, sabinene (12.5%) and β‐pinene (8.5%) were identified in the flower buds.
Catalysts Immobilized on Organic Polymeric Monolithic Supports: From Molecular Heterogeneous Catalysis to Biocatalysis
Authors: Anderson Emily Baird , Buchmeiser Michael R. 
Published: November 2011

AbstractThis review describes the synthetic routes to various types of organic polymeric monoliths. Significant concentration is applied to the role of these continuous, porous structures in both heterogeneous catalysis and biocatalysis. A monolith is composed of a solitary mass filled with interconnected pores, which include both large flow‐through pores and smaller meso‐ or micropores. These porous monolithic materials have several advantages over conventional packed beds of porous polymeric beads, owing to their macroporosity and lack of interstitial spacing. Their large pores contribute to mass transfer, which allows the structure to withstand higher back pressures than conventional packed beds, whereas their small pores still operate by diffusion. The effect of multiple parameters, such as the temperature, the cross‐link density, and the type and content of porogenic solvent on the pore formation and pore size distribution is outlined for monoliths prepared through free radical polymerization and ring‐opening metathesis polymerization (ROMP). Post‐functionalization of these monoliths to control the surface chemistry of the supports and/or affix functional catalysts is elucidated, as well as employment of these supports in continuous catalytic reactions. Significant advances in supported catalysis for metathesis, Heck, Suzuki, Sonogashira–Hagihara, and biocatalytic reactions are described.
A Priori Property Estimation of Physical and Reactive CO2 Absorbents
Authors: Völkl J. , Müller K. , Mokrushina L. , Arlt W. 
Published: November 2011

AbstractThe physical as well as the chemical solubility of carbon dioxide in several ionic liquids were predicted with quantum chemical a priori methods. The physical solubility was described with the model COSMO‐RS. The results were compared to experimental data. Both a qualitative and – based on the concept of relative solubility – quantitative benchmark for the solvents were possible. For the part of chemical absorption, the free reaction enthalpy, ΔRg, and reaction enthalpy, ΔRh, were determined with DFT calculations on the B3LYP/def2‐TZVPP level. By combining reaction and phase equilibrium, the CO2 loading of the reactive solvents were predicted. The results were validated with literature data. An approach was developed for a quantitative a priori description of both physical and chemical solvation of CO2.