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Ethylene oxide

Ethylene oxide is an organic compound with the formula C2H4O. It is a cyclic ether and the simplest epoxide: a three-membered ring consisting of one oxygen atom and two carbon atoms. Ethylene oxide is a colorless and flammable gas with a faintly sweet odor. Because it is a strained ring, ethylene oxide easily participates in a number of addition reactions that result in ring-opening. Ethylene oxide is isomeric with acetaldehyde and with vinyl alcohol. Ethylene oxide is industrially produced by oxidation of ethylene in the presence of a silver catalyst.

History
Ethylene oxide was first reported in 1859 by the French chemist Charles-Adolphe Wurtz, who prepared it by treating 2-chloroethanol with potassium hydroxide: : Wurtz measured the boiling point of ethylene oxide as , slightly higher than the present value, and discovered the ability of ethylene oxide to react with acids and salts of metals. Only in 1931 did French chemist Theodore Lefort develop a method of direct oxidation of ethylene in the presence of silver catalyst. Since 1940, almost all industrial production of ethylene oxide has relied on this process. Sterilization by ethylene oxide for the preservation of spices was patented in 1938 by the American chemist Lloyd Hall. Ethylene oxide achieved industrial importance during World War I as a precursor to both the coolant ethylene glycol and the chemical weapon mustard gas. ==Molecular structure and properties==
Molecular structure and properties
The epoxy cycle of ethylene oxide is an almost regular triangle with bond angles of about 60° and a significant angular strain corresponding to the energy of 105 kJ/mol. For comparison, in alcohols the C–O–H angle is about 110°; in ethers, the C–O–C angle is 120°. The moment of inertia about each of the principal axes are IA = , IB = and IC = . The relative instability of the carbon-oxygen bonds in the molecule is revealed by the comparison in the table of the energy required to break two C–O bonds in the ethylene oxide or one C–O bond in ethanol and dimethyl ether: This instability correlates with its high reactivity, explaining the ease of its ring-opening reactions (see ). ==Physical properties==
Physical properties
Ethylene oxide is a colorless gas at and is a mobile liquid at – viscosity of liquid ethylene oxide at 0 °C is about 5.5 times lower than that of water. The gas has a characteristic sweet odor of ether, noticeable when its concentration in air exceeds 500ppm. Ethylene oxide is readily soluble in water, ethanol, diethyl ether, and many organic solvents. Main thermodynamical constants are: • The surface tension of liquid ethylene oxide, at the interface with its own vapor, is at and at . • The boiling point increases with the vapor pressure as follows: (), (), and (). • Viscosity decreases with temperature with the values of 0.577kPa·s at , 0.488 kPa·s at , 0.394kPa·s at , and 0.320kPa·s at . Between , vapor pressure p (in mmHg) varies with temperature (T in °C) as : \lg p=6.251 - \frac{1115.1}{244.14 + T}. • N/A – data not available. • N/A – data not available. ==Chemical properties==
Chemical properties
Ethylene oxide readily reacts with diverse compounds with opening of the ring. Its typical reactions are with nucleophiles which proceed via the SN2 mechanism both in acidic (weak nucleophiles: water, alcohols) and alkaline media (strong nucleophiles: OH−, RO−, NH3, RNH2, RR'NH, etc.). The reaction is usually carried out at about with a large excess of water, in order to prevent the reaction of the formed ethylene glycol with ethylene oxide that would form di- and triethylene glycol: : 2 (CH2CH2)O + H2O → HO–CH2CH2–O–CH2CH2–OH : 3 (CH2CH2)O + H2O → HO–CH2CH2–O–CH2CH2–O–CH2CH2–OH The use of alkaline catalysts may lead to the formation of polyethylene glycol: : n (CH2CH2)O + H2O → HO–(–CH2CH2–O–)n–H Reactions with alcohols proceed similarly yielding ethylene glycol ethers: : (CH2CH2)O + C2H5OH → HO–CH2CH2–OC2H5 : 2 (CH2CH2)O + C2H5OH → HO–CH2CH2–O–CH2CH2–OC2H5 Reactions with lower alcohols occur less actively than with water and require more severe conditions, such as heating to and pressurizing to and adding an acid or alkali catalyst. Reactions of ethylene oxide with fatty alcohols proceed in the presence of sodium metal, sodium hydroxide, or boron trifluoride and are used for the synthesis of surfactants. The carboxylate ion acts as nucleophile in the reaction: : (CH2CH2)O + RCO2− → RCO2CH2CH2O− : RCO2CH2CH2O− + RCO2H → RCO2CH2CH2OH + RCO2− Adding ammonia and amines Ethylene oxide reacts with ammonia forming a mixture of mono-, di-, and tri- ethanolamines. The reaction is stimulated by adding a small amount of water. : (CH2CH2)O + NH3 → HO–CH2CH2–NH2 : 2 (CH2CH2)O + NH3 → (HO–CH2CH2)2NH : 3 (CH2CH2)O + NH3 → (HO–CH2CH2)3N Similarly proceed the reactions with primary and secondary amines: : (CH2CH2)O + RNH2 → HO–CH2CH2–NHR Dialkylamino ethanols can further react with ethylene oxide, forming amino polyethylene glycols: Halohydrins can also be obtained by passing ethylene oxide through aqueous solutions of metal halides: : 2 (CH2CH2)O + Ca(CN)2 + 2 H2O → 2 HO–CH2CH2–CN + Ca(OH)2 Ethylene cyanohydrin easily loses water, producing acrylonitrile: : HO–CH2CH2–CN → CH2=CH–CN + H2O Addition of hydrogen sulfide and mercaptans When reacting with the hydrogen sulfide, ethylene oxide forms 2-mercaptoethanol and thiodiglycol, and with alkylmercaptans it produces 2-alkyl mercaptoetanol: : (CH2CH2)O + H2S → HO–CH2CH2–HS : 2 (CH2CH2)O + H2S → (HO–CH2CH2)2S : (CH2CH2)O + RHS → HO–CH2CH2–SR The excess of ethylene oxide with an aqueous solution of hydrogen sulfide leads to the tris-(hydroxyethyl) sulfonyl hydroxide: : 3 (CH2CH2)O + H2S → [(HO–CH2CH2)3S+]OH− Addition of nitrous and nitric acids Reaction of ethylene oxide with aqueous solutions of barium nitrite, calcium nitrite, magnesium nitrite, zinc nitrite, or sodium nitrite leads to the formation of 2-nitroethanol: :2 (CH2CH2)O + Ca(NO2)2 + 2 H2O → 2 HO–CH2CH2–NO2 + Ca(OH)2 With nitric acid, ethylene oxide forms mono- and dinitroglycols: : (CH2CH2)O{} + \overset{nitric\atop acid}{HNO3} -> HO-CH2CH2-ONO2 ->[\ce{+HNO3}] [\ce{-H2O}] O2NO-CH2CH2-ONO_2 Reaction with compounds containing active methylene groups In the presence of alkoxides, reactions of ethylene oxide with compounds containing active methylene group leads to the formation of butyrolactones: : Alkylation of aromatic compounds Ethylene oxide enters into the Friedel–Crafts reaction with benzene to form phenethyl alcohol: : Styrene can be obtained in one stage if this reaction is conducted at elevated temperatures () and pressures (), in presence of an aluminosilicate catalyst. Synthesis of crown ethers A series of polynomial heterocyclic compounds, known as crown ethers, can be synthesized with ethylene oxide. One method is the cationic cyclopolymerization of ethylene oxide, limiting the size of the formed cycle: : n (CH2CH2)O → (–CH2CH2–O–)n To suppress the formation of other linear polymers the reaction is carried out in a highly dilute solution. : Isomerization When heated to about , or to in the presence of a catalyst (Al2O3, H3PO4, etc.), ethylene oxide isomerizes into acetaldehyde: Polymerization Liquid ethylene oxide can form polyethylene glycols. The polymerization can proceed via radical and ionic mechanisms, but only the latter has a wide practical application. High-temperature pyrolysis () at elevated pressure in an inert atmosphere leads to a more complex composition of the gas mixture, which also contains acetylene and propane. Contrary to the isomerization, initiation of the chain occurs mainly as follows: Phosphorus trichloride reacts with ethylene oxide forming chloroethyl esters of phosphorous acid: : In industry, a similar reaction is carried out at high pressure and temperature in the presence of quaternary ammonium or phosphonium salts as a catalyst. : (CH2CH2)O + CO + H2 -> CHO-CH2CH2-OH ->[\ce{+H2}] HO-CH2CH2CH2-OH ==Laboratory synthesis==
Laboratory synthesis
Dehydrochlorination of ethylene and its derivatives Dehydrochlorination of 2-chloroethanol, developed by Wurtz in 1859, remains a common laboratory route to ethylene oxide: : Cl-CH2CH2-OH + NaOH -> (CH2CH2)O + NaCl + H2O The reaction is carried out at elevated temperature, and beside sodium hydroxide or potassium hydroxide, calcium hydroxide, barium hydroxide, magnesium hydroxide, or carbonates of alkali or alkaline earth metals can be used.{{cite book With a high yield (90%) ethylene oxide can be produced by treating calcium oxide with ethyl hypochlorite; substituting calcium by other alkaline earth metals reduces the reaction yield:{{cite book : 2 CH3CH2-OCl + CaO -> 2 (CH2CH2)O + CaCl2 + H2O Direct oxidation of ethylene by peroxy acids Ethylene can be directly oxidized into ethylene oxide using peroxy acids, for example, peroxybenzoic or meta-chloro-peroxybenzoic acid:{{cite book : Oxidation by peroxy acids is efficient for higher alkenes, but not for ethylene. The above reaction is slow and has low yield, therefore it is not used in the industry. Other preparative methods Other synthesis methods include reaction of diiodo ethane with silver oxide: : I-CH2CH2-I + Ag2O -> (CH2CH2)O + 2AgI and decomposition of ethylene carbonate at in the presence of hexachloroethane: : ==Industrial synthesis==
Industrial synthesis
History Commercial production of ethylene oxide dates back to 1914 when BASF built the first factory which used the chlorohydrin process (reaction of ethylene chlorohydrin with calcium hydroxide). The chlorohydrin process was unattractive for several reasons, including low efficiency and loss of valuable chlorine into calcium chloride. More efficient direct oxidation of ethylene by air was invented by Lefort in 1931 and in 1937 Union Carbide opened the first plant using this process. It was further improved in 1958 by Shell Oil Co. by replacing air with oxygen and using elevated temperature of and pressure (). Chlorohydrin process of production of ethylene oxide Although the chlorohydrin process is almost entirely superseded in the industry by the direct oxidation of ethylene, the knowledge of this method is still important for educational reasons and because it is still used in the production of propylene oxide. A similar production method was developed by Scientific Design Co., but it received wider use because of the licensing system – it accounts for 25% of the world's production and for 75% of world's licensed production of ethylene oxide. A proprietary variation of this method is used by Japan Catalytic Chemical Co., which adapted synthesis of both ethylene oxide and ethylene glycol in a single industrial complex. A different modification was developed Shell International Chemicals BV. Their method is rather flexible with regard to the specific requirements of specific industries; it is characterized by high selectivity with respect to the ethylene oxide product and long lifetime of the catalyst (3 years). It accounts for about 40% of global production. : O2 + Ag → Ag+O2− This species reacts with ethylene : Ag+O2− + H2C=CH2 → (CH2CH2)O + AgO The resulting silver oxide then oxidizes ethylene or ethylene oxide to CO2 and water. This reaction replenishes the silver catalyst. Thus the overall reaction is expressed as : 7 CH2=CH2 + 6 O2 → 6 (CH2CH2)O + 2 CO2 + 2 H2O and the maximum degree of conversion of ethylene to ethylene oxide is theoretically predicted to be 6/7 or 85.7%, The catalyst for the reaction is metallic silver deposited on various matrixes, including pumice, silica gel, various silicates and aluminosilicates, alumina, and silicon carbide, and activated by certain additives (antimony, bismuth, barium peroxide, etc.). The process temperature was optimized as . Lower temperatures reduce the activity of the catalyst, and higher temperatures promote the complete oxidation of ethylene thereby reducing the yield of ethylene oxide. Elevated pressure of increases the productivity of the catalyst and facilitates absorption of ethylene oxide from the reacting gases. Process overview The production of ethylene oxide on a commercial scale is attained with the unification of the following unit processes: • Main reactor • Ethylene oxide scrubber • Ethylene oxide de-sorber • Stripping and distillation column • CO2 scrubber and CO2 de-scrubber Main Reactor: The main reactor consists of thousands of catalyst tubes in bundles. These tubes are generally long with an inner diameter of . The catalyst packed in these tubes is in the form of spheres or rings of diameter . The operating conditions of with a pressure of prevail in the reactor. To maintain this temperature, the cooling system of the reactor plays a vital role. With the aging of the catalyst, its selectivity decreases and it produces more exothermic side products of CO2. Ethylene oxide scrubber: After the gaseous stream from the main reactor, containing ethylene oxide (1–2%) and CO2 (5%), is cooled, it is then passed to the ethylene oxide scrubber. Here, water is used as the scrubbing media which scrubs away majority of ethylene oxide along with some amounts of CO2, N2, CH2=CH2, CH4 and aldehydes (introduced by the recycle stream). Also, a small proportion of the gas leaving the ethylene oxide scrubber (0.1–0.2%) is removed continuously (combusted) to prevent the buildup of inert compounds (N2, Ar, and C2H6), which are introduced as impurities with the reactants. Ethylene oxide de-sorber: The aqueous stream resulting from the above scrubbing process is then sent to the ethylene oxide de-sorber. Here, ethylene oxide is obtained as the overhead product, whereas the bottom product obtained is known as the glycol bleed. When ethylene oxide is scrubbed from the recycle gas with an aqueous solution, ethylene glycols (viz. mono-ethylene glycol, di-ethylene glycol and other poly-ethylene glycols) get unavoidably produced. Thus, in-order to prevent them from building up in the system, they are continuously bled off. Stripping and distillation column: Here, the ethylene oxide stream is stripped off its low boiling components and then distilled in-order to separate it into water and ethylene oxide. CO2 scrubber: The recycle stream obtained from the ethylene oxide scrubber is compressed and a side-stream is fed to the CO2 scrubber. Here, CO2 gets dissolved into the hot aqueous solution of potassium carbonate (i.e., the scrubbing media). The dissolution of CO2 is not only a physical phenomenon, but a chemical phenomenon as well, for, the CO2 reacts with potassium carbonate to produce potassium hydrogen carbonate. : K2CO3 + CO2 + H2O → 2 KHCO3 CO2 de-scrubber: The above potassium carbonate solution (enriched with CO2) is then sent to the CO2 de-scrubber where CO2 is de-scrubbed by stepwise (usually two steps) flashing. The first step is done to remove the hydrocarbon gases, and the second step is employed to strip off CO2. World production of ethylene oxide The world production of ethylene oxide was in 2009, SRI Consulting forecasted the growth of consumption of ethylene oxide of 4.4% per year during 2008–2013 and 3% from 2013 to 2018.), Saudi Basic Industries ( in 2006), BASF ( in 2008–2009), China Petrochemical Corporation (~ in 2006 ==Applications==
Applications
, 63% in Japan, and 73% in North America to 90% in the rest of Asia, and 99% in Africa. Production of ethylene glycol Ethylene glycol is industrially produced by non-catalytic hydration of ethylene oxide at a temperature of and a pressure of : : (CH2CH2)O + H2O -> HOCH2CH2OH By-products of the reaction are diethylene glycol, triethylene glycol, and polyglycols with the total of about 10%, which are separated from the ethylene glycol by distillation at reduced pressure. Another synthesis method is the reaction of ethylene oxide and CO2 (temperature and pressure of ) yielding ethylene carbonate and its subsequent hydrolysis with decarboxylation: Shell OMEGA technology (Only Mono-Ethylene Glycol Advantage) is a two-step synthesis of ethylene carbonate using a phosphonium halide as a catalyst. The glycol yield is 99–99.5%, with other glycols practically absent. The main advantage of the process is production of pure ethylene glycol without the need for further purification. The first commercial plant which uses this method was opened in 2008 in South Korea. Dow METEOR (Most Effective Technology for Ethylene Oxide Reactions) is an integrated technology for producing ethylene oxide and its subsequent hydrolysis into ethylene glycol. The glycol yield is 90–93%. The main advantage of the process is relative simplicity, using fewer stages and less equipment. Conversion to ethylene glycol is also the means by which waste ethylene oxide is scrubbed before venting to the environment. Typically the EtO is passed over a matrix containing either sulfuric acid or potassium permanganate. Production of glycol ethers The major industrial esters of mono-, di-, and triethylene glycols are methyl, ethyl, and normal butyl ethers, as well as their acetates and phthalates. The synthesis involves reaction of the appropriate alcohol with ethylene oxide: : (CH2CH2)O + ROH -> HOCH2CH2OR : (CH2CH2)O + HOCH2CH2OR -> HOCH2CH2OCH2CH2OR : (CH2CH2)O + HOCH2CH2OCH2CH2OR -> HOCH2CH2OCH2CH2OCH2CH2OR The reaction of monoesters with an acid or its anhydride leads to the formation of the esters: : CH3CO2H + HOCH2CH2OR -> ROCH2CH2OCOCH3 + H2O Production of ethanolamines In the industry, ethanolamines (mono-, di-, and triethanolamines) are produced by reacting ammonia and ethylene oxide in anhydrous medium at a temperature of and pressure of MPa: : (CH2CH2)O + NH3 -> HOCH2CH2NH2 : 2 (CH2CH2)O + NH3 -> (HOCH2CH2)2NH : 3 (CH2CH2)O + NH3 -> (HOCH2CH2)3N All three ethanolamines are produced in the process, while ammonia and part of methylamine are recycled. The final products are separated by vacuum distillation. Hydroxyalkylamines are produced in a similar process: : (CH2CH2)O + RNH2 -> HOCH2CH2NHR : 2 (CH2CH2)O + RNH2 -> (HOCH2CH2)2NR Monosubstituted products are formed by reacting a large excess of amine with ethylene oxide in presence of water and at a temperature below . Disubstituted products are obtained with a small excess of ethylene oxide, at a temperature of and a pressure of . Production of ethoxylates