Turn-off

So long as the field is on, these populations continue to change however, once the external field is turned off, these populations remain constant (discounting relaxation processes, which will be introduced below). Yet the amplitudes in the states i and i / do continue to change with time, due to the accumulation of time-dependent phase factors during the field-free evolution. We can obtain a convenient separation of the time-dependent and the time-mdependent quantities by defining a density matrix, p. For the case of the wavefiinction ), p is given as the outer product of v i) with itself. 

These functions allow- the nonbonded potential energy Lo turn off smoothly and systematically, removing artifacts caused by a truncated potential. With an appropriate switching function, the potential function is unaffected except m the region of the switch. 

HyperChem uses th e ril 31 water m odel for solvation. You can place th e solute in a box of T1P3P water m oleeules an d impose periodic boun dary eon dition s. You may then turn off the boundary conditions for specific geometry optimi/.aiion or molecular dynamics calculations. However, th is produces undesirable edge effects at the solvent-vacuum interface. 

In sid e ih e poiii I of in flection of equation (3 1 ) eq nation (32) is identical to MM2 with the cubic stretch tenn turned on. At very long bond distances, it is identical to MM2 with the cubic stretch term turned off. 

IlyperChem avoids th e discon tin nily an d, in isotropy problem of th e implied cutoff by iin posing a sin oothed spherical cn toff within the implied cutoff. When a system is placed in a periodic box, a switched cnLoITis aiitoinatically added. The default outer radius, where the interaction is completely turned off, is the smallest of 1/2 R., 1/2 R.. and 1/2 R, so that the cutoff avoids discontinuities and is isotropic, fh is cutoff may be turned off or modified in the. Molecular Mechanics Options dialog box after solvation and before calcii lation. ... 

Now heat the furnace, so that the temperature rises slowly in the course of about 2 hours to 260-270°, and then maintain this temperature for at least another 4 hours. Then turn off the heating, and allow the furnace to cool and remain untouched overnight. A considerable pressure will now exist in the cold tube, and must be released before the tube is removed from the box A on no account must the unopened... 

If a liquid which is being heated in a beaker or a conical flask catches fire, it is frequently sufficient to turn off the gas (or other source of heating) below and then at once to stretch a clean duster tightly over the mouth of the vessel. The fire quickly dies out from lack of air, and the (probably valuable) solution is recovered unharmed. 

The high-pressure water supply service is employed for the operation of the ordinary filter pump, which finds so many applications in the laboratory. A typical all metal filter pump is illustrated in Fig. 11, 21, 1. It is an advantage to have a non-return valve fitted in the side arm to prevent sucking back if the water is turned off or if the water pressure is suddenly reduced. Theoretically, an efficient filter pump should reduce the pressure in a system to a value equal to the vapour pressure of the water at the temperature of the water of the supply mains. In practice this pressure is rarely attained (it is usually 4 10 mm. higher) because of the leakage of air into the apparatus and the higher temperature of the laboratory. The vapour pressures of water at 5°, 10°, 15°, 20° and 25° are respectively 6-5, 9-2,12-8, 17 5 and 23 8 mm. respectively. It is evident that the vacuum obtained with a water pump will vary considerably with the temperature of the water and therefore with the season of the year in any case a really good vacuum cannot be produced by a filter pump. 

Turn off the DIIS extrapolation. Give the calculation more iterations along with this. 

Next we assume that the light is turned off after the radical concentration has reached [M-ls- Even in the dark the radicals will continue to undergo termination according to Eq. (6.14). Since this occurs without replacement owing to the darkness, the radical concentration decreases with time according to the integrated form of Eq. (6.14) ... 

Variable Air Flow Fans. Variable air flow fans are needed ia the process iadustry for steam or vapor condensing or other temperature critical duties. These also produce significant power saviags. Variable air flow is accompHshed by (/) variable speed motors (most commonly variable frequency drives (VFDs) (2) variable pitch fan hubs (J) two-speed motors (4) selectively turning off fans ia multiple fan iastaHations or (5) variable exit louvers or dampers. Of these methods, VFDs and variable pitch fans are the most efficient. Variable louvers, which throttle the airflow, are the least efficient. The various means of controlling air flow are summarized ia Table 3. 

The process operates at 1 kPa (10 mbars) and 450 kW of power. When the condenser temperature reaches 580°C, the power is reduced to 350 kW. Cooling water is appHed to the condenser, throughout distillation, by means of sprays. Normally distillation takes 10—12 hours and the end point is signified by an increase in furnace temperature and a decrease in vapor temperature to 500—520°C. At this point the power is turned off and the vacuum pump is shut down. Nitrogen is then bled into the system to prevent oxidation of 2inc. 

---