Rerunning

The contracted basis set created from the procedure above is listed in Figure 28.3. Note that the contraction coefficients are not normalized. This is not usually a problem since nearly all software packages will renormalize the coefficients automatically. The atom calculation rerun with contracted orbitals is expected to run much faster and have a slightly higher energy. 

Alternatively, the SCREEN.DAT file may be edited as an ASCII file using a text or line editor, and selected input parameters changed before rerunning the model. Since the original SCREEN.DAT file will be overwritten each time the model is run, it is advisable to save the modified inputs under a different file name. 

More importantly, since the inputs requested by SCREEN depend on the options selected, it is not advisable to edit the SCREEN.DAT file and try to change the options selected. An experienced user may be able to do this, but it may be easier simply to rerun SCREEN with the new options. 

Rerunning is a second distillation step applied to distUlate stocks in order to remove undesirable higher boiling materials from the product. These materials may be... 

Cracking imposes an additional penalty in a vacuum unit in that it forms gas which cannot be condensed at the low pressures employed. This gas must be vented by compressing it to atmospheric pressure. This is accomplished by means of steam jet ejectors. Ideally, it would be possible to operate a vacuum pipe still without ejectors, with the overhead vapors composed only of steam. In practice, however, leakage of air into the system and the minor cracking which occurs make it necessary to provide a means of removing non-condensibles from the system. In addition to the distillation of atmospheric residuum, the lube vacuum pipe still is also used for rerunning of off specification lube distillates. 

Hydrofining has all the advantages of acid treating without the disadvantages. For example, acid treating does not readily remove refractory sulfur compounds such as thiophene the treated products must be rerun to remove polymers with a consequent yield loss and disposal of the acid sludges is a serious problem. 

Rerunning is a second distillation step applied to distillate stocks in order to remove undesirable higher boiling materials from the product. These materials may be present because of poor fractionation in the primary distillation step more frequently they are heavy polymers formed in treating operations. Rerunning may be combined with solvent removal, as in the case of heavy lube distillates which are diluted with naphtha to lower their viscosity before being chemically treated. 

Rerunning operations are characterized by large volumes of distillate products and relatively small residue yields. Frequently, the product is withdrawn as a sidestream with undesirable light fractions passing overhead and polymers being withdrawn from the bottom of the tower. Lube rerun stills usually have several sidestreams which permit close control of flash point and viscosity while producing a wide range of stocks. 

The acid extract phase is separated, diluted with water, and heated to regenerate isobutylene. The isobutylene is then caustic and water washed to remove traces of acid, distillation dried, and rerun. The unreacted C4 stream, containing normal butenes, is also caustic washed before further processing. 

High purity 99+ % isobutylene can be made by rerunning, with a recovery of over 85% of the isobutylene in the feed. 

Acetonitrile serves to greatly enlarge the spread of relative volatilities so that reasonably sized distillation equipment can be used to separate butadiene from the other components in the C4 fraction. The polar ACN acts as a very heavy component and is separated from the product without much difficulty.The feed stream is carefully hydrogenated to reduce the acetylene level rerun, and then fed to the single stage extractive distillation unit. Feed enters near the middle of the extractive distillation tower, while (lean) aqueous ACN is added near but not at the top. Butenes and butanes go overhead as distillate, with some being refluxed to the tower and the rest water washed for removal of entrained ACN. 

Tower bottoms-ACN, butadiene, with some butenes and acetylenes - are fed to a recovery/stripping column. The hydrocarbons are taken overhead and then rerun to meet product specifications. The stripping column bottoms, (ACN) is then remrned near the top of the extractive distillation tower. A small slipstream goes to the ACN recovery tower, where solvent is also recovered from the water wash streams. 

Orthoxylene (the highest boiling xylene isomer) is separated from the other xylenes and the heavier C, aromatics by fractionation. The meta and lighter xylenes are taken overhead in a xylenes splitter containing 160 trays. Orthoxylene is then separated from the C, aromatics in a 50-plate rerun column. Product purity from such a fractionation is typically 99-1- %. 

Materials accumulated in slop storage are normally routed to rerunning facilities or blended into appropriate tankage for disposal. 

Since for constant pressure filtration, the tjV versus Vdata can be linearized, as shown in Figure 4.15, the resistances of cake and cloth plus cake held up in cloth can be determined. The former value is usually fairly reproducible while the latter is often variable, being particularly sensitive to start up conditions when cloth blinding occurs. Such tests can be rerun at different pressures and the extent of cake compressibility determined. Similarly, a wash cycle can be introduced. 

If a molecular weight of Dowlex 2056 is outside the upper or the lower control limits, then the standard is rerun immediately to verify the trend. If the molecular weight of the rerun sample is again outside the control limits,... 

A transition state > 1 imaginary frequency The structure is a higher-order saddle point, but is not a transition structure that connects two minima. QST2 may again be of use. Otherwise, examine the normal modes corresponding to the imaginary frequencies. One of them will (hopefully) point toward the reactants and products. Modify the geometry based on the displacements in the other mode(s), and rerun the optimization. 

B. Method for determining the number of —COOH groups in a molecule The TMS derivative of an acid can be converted to the methyl ester using anhydrous methanolic HQ. 1 2 3 Obtain a mass spectrum of the TMS derivative of the acid, and then evaporate the TMS reaction mixture with clean, dry nitrogen. Add 250 pd of anhydrous methanolic HC1 (Pierce cat. no. 33050) and heat at 60° for 20 min. Many TMS derivatives of acids are converted to methyl esters at room temperature after 20 min. If the sample is rerun as the methyl ester, the number of carboxyl groups can be determined by the mass differences before and after making the methyl ester from the TMS derivative. 

Component peaks from previous run that are usually too broad for that retention time are present. Rerun the sample and run the analysis longer. 

Rerun the sample. The deduced MW should increase by 24 Daltons for each -NH or -NH2 present. 

FIG. 14 Flow diagram of the HF alkylation process. R, reactor AS, acid settler HR, HF regenerator HS, SF stripper BC, benzene column PC, paraffin column RR, rerun column AT, aluminia treater VE, vacuum ejector. 

FIG. 20 Flow diagram of distillation. BS, benzene stripper BC, benzene column PC, paraffin column RR, rerun column. 

FIG. 21 Process for manufacture of tetrapropylene benzene. BC, benzene column D, dryer IC, intermediate column R, reactor RR, rerun column ST, settling tank W, wash tower. 

Solution The new data are combined with the old, are rerun. The results are and the various... 

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