专利号:WO-2024193201-A1 优先权日:2023-03-22 标题:Machine learning-based multi-objective optimization method for route for synthesis of mofs 发明人:WANG GE; LIN JING; GAO HONGYI; LIU ZHIMENG; BAN TAO; LI TIAN; ZHOU SHENGLAN 权利人:UNIV BEIJING SCIENCE & TECHNOLOGY 摘要:A machine learning-based multi-objective optimization method for a route for synthesis of MOFs. The method comprises: collecting a synthesis condition for preparing Ce-UiO-66, evaluating defect content and thermal stability by means of a thermogravimetric analysis curve, and using same as an initial data set; randomly dividing the data set into a training set and a testing set, respectively modeling each performance of the Ce-UiO-66 using eight algorithms, and screening representative models used for for prediction of each performance; calculating an objective achievement probability (PA) value of each performance in a synthesis space, and expanding same to a multi-objective evaluation factor; preparing a Ce-UiO-66 material; performing a characterization test on the obtained material, and if test data does not satisfy a requirement, updating the data set and the proxy model. Being based on reliable experimental data and machine learning has the advantages of low cost, short period, and the like for optimization of catalysis and stability of MOFs, and the method can be expanded to the design of synthesis routes for other materials.
专利号:US-2022297083-A1 优先权日:2019-08-27 标 题 :Continuous Synthesis Of Porous Coordination Polymers In Supercritical Carbon Dioxide 发明人:RASMUSSEN ELIZABETH G; KRAMLICH JOHN C; NOVOSSELOV IGOR V 权利人:UNIV WASHINGTON 摘要:This disclosure relates generally relates to methods and systems useful for continuous synthesis of materials in super-critical carbon dioxide (sCO 2 ). More particularly, this disclosure relates to methods and systems useful for continuous synthesis of coordination polymers, such as metal-organic frameworks (MOFs) and/or covalent organic frameworks (COFs), in sCO 2 .
专利号:US-4250330-A 优先权日:1977-04-13 标题:Process for the recovery of the solvent and of the by-produced methylacetate in the synthesis of terephthalic acid 发明人:COSTANTINI GIUSEPPE; PAOLI PIETRO; SERAFINI MAURO 权利人:MONTEDISON SPA 摘要:The invention refers to an improved process for the recovery of the solvent and of the by-produced methylacetate in the synthesis of terephthalic acid, said synthesis being usually consisting of an oxidation of paraxylene with air, in the presence of a catalyst system composed by cobalt, manganese and bromine, in a solvent consisting of acetic acid, according to the equation (1): n n C.sub.6 H.sub.4 (CH.sub.3).sub.2 +3 O.sub.2 →C.sub.6 H.sub.4 n n (COOH) 2 =2 H 2 O (1) n More particularly, the improved process of this invention comprises the oxidation of para-xylene in acetic acid solution and in the presence of a catalytic system based on manganese, bromine and cobalt, whereby water is formed and methylacetate is by-produced during the oxidation, whereby solid terephthalic acid is separated from the mother liquor and whereby one withdraws from the oxidation zone a liquid which is obtained by condensing the vapors released during the oxidation and which are mainly consisting of acetic acid and water, the improvement consisting of the fact that: n (a) the liquid obtained by condensing the released vapors and said mother liquor are fed both to an azeotropic distillation system in which the azeotropic agent is isobutyl-acetate; n (b) the light ends of the azeotropic distillation, richer in water, are condensed and demixed into two phases, wherein the aqueous phase, which is lower and contains isobutyl-acetate and methyl-acetate, is conveyed to a stripping, whereby isobutyl-acetate and methyl-acetate are recovered, and wherein the organic phase is recycled to the azeotropic distillation.
专利号:WO-9961509-B1 优先权日:1998-05-21 标题:Synthesis of semi-crystalline polyphthalamides through reactive extrusion of hexamethylene terephthalamide oligomer with lower melting, semi-crystalline or amorphous polyamides 发明人:LEBOEUF CHRISTIAN; HARBOURNE DAVID ALAN 权利人:LEBOEUF CHRISTIAN; HARBOURNE DAVID ALAN 摘要:This invention relates to the synthesis of semi-crystalline polyphthalamides (i.e. containing monomeric units of terephthalic acid and hexamethylene diamine) through reactive extrusion of hexamethylene terephthalamide oligomer, or the oligomer of another 6T-rich copolymer, with lower melting semi-crystalline or amorphous polyamides. This process is particularly useful since it is centered around the use of stirred autoclaves for the synthesis of the 6T oligomer and the semi-crystalline or amorphous polyamides which are subsequently combined in a twin screw extruder equipped for devolatilization of water of reaction. It can also be used for the modification of existing semi-crystalline or amorphous polyamides (not necessarily phthalamides) with low levels of 6T.
专利号:US-4895922-A 优先权日:1988-05-05 标 题 :Low temperature synthesis of polyesteramides 发明人:OGATA NAOYA 权利人:GOODYEAR TIRE & RUBBER 摘要:This invention disclosed a process for the synthesis of polyesteramides. By utilizing the phosphorus containing catalyst systems of the present invention, such polyesteramides can be synthesized at relatively low temperatures. The present invention specifically discloses a process for the synthesis of a polyesteramide which comprises polymerizing at least one diamine, at least one diol, and at least one dicarboxylic acid in the presence of (1) at least one acid acceptor; (2) at least one halogenated organic compound; and (3) at least one phosphorus containing compound selected from the group consisting of (a) triphenylphosphine, (b) triphenylphosphine oxide, (c) triphenylphosphine sulfide, (d) polymeric agents having pendant diphenylphosphine groups, (e) silicon-phosphorus compositions which contain at least one divalent oxygen atom which is bonded directly to a tetravalent silicon atom and a trivalent or pentavalent phosphorus atom; (f) compounds with the structural formula (C 6 H 5 ) 3 P=N-R, wherein R is a hydrogen atom or an alkyl group containing from 1 to 10 carbon atoms; and (g) compounds with the structural formula (C 6 H 5 )PR 1 R 2 wherein R 1 and R 2 can be the same or different, wherein R 1 is selected from the group consisting of alkyl groups containing from 1 to 10 carbon atoms and phenyl groups, and wherein R 2 is an alkyl group containing from 1 to 10 carbon atoms.
专利号:US-6258323-B1 优先权日:1998-11-16 标题:Apparatus and method used in multiple, simultaneous synthesis of general compounds 发明人:HORMANN ROBERT EUGENE; GILBERT DARYL EUGENE; SIOMA EDWARD MICHAEL 权利人:ROHM & HAAS 摘要:The apparatus and method of the present invention provides for conducting simultaneous multiple synthesis of general compounds, which often takes place under varied uneven conditions requiring heating, cooling, agitation, reagent/solvent additions to the reactor contents at each reaction vessel location, supply and maintenance of inert atmosphere and means to facilitate the reflux of the reactor contents. Thus, it becomes necessary to monitor and control the reaction conditions during the simultaneous multiple synthesis of general compounds. The apparatus allows the user to connect various independently controlling and conveying means to each reaction vessel through multiple ports provided on a stopper mounted on each reaction vessel. The apparatus of the present invention permits user to readily access the reaction vessels without interrupting the reactions occurring in the adjacent reaction vessels. The unique geometry and shape of the stopper allows positioning of multiple ports, while still providing the stopper with a compact size. As a result, a large array of reaction vessels can be accommodated in the device of the present invention without significantly increasing the overall size of the apparatus. Some of the general compounds that can be readily synthesized by the apparatus and the method of the present invention include inorganic compounds as well as organic compounds, such as oligomers, polymers, agricultural chemicals, drugs, peptides and oligonucleotides.