Mean kinetic temperature calculation

Controlled Room Temperature [USP] — Temperature maintained thermostatically that encompasses the usual and customary working environment of 20°-25°C (68°-77°F) and that results in a mean kinetic temperature calculated to be not more than 25°C and allows for excursions between 15° and 30°C (59°-86°F) that are experienced in pharmacies, hospitals, and warehouses. 

In addition, the warehouse conditions where bulk samples are stored must be monitored and mean kinetic temperature calculated. 

MKT = Mean Kinetic Temperature, calculated as described above. 

European Compliance Academy. GMP News 07/05/2014. http // www.gmp-compliance.org/enews 04209 GDP-Question-When-to-use-Mean-Kinetic-Temperature-Calculation-MKT-.html... 

When establishing the mean value of the temperature, the formula of J. D. Haynes (J. Pharm. Sci. 60, 927-929,1971) can be used to calculate the mean kinetic temperature. It is higher than the arithmetic mean temperature and takes into account the Arrhenius equation from which Haynes derived his formula. 

Mean Kinetic Temperature The single test temperature for a drug product corresponding to the effects on chemical reaction kinetics of a given temperature-time distribution. A mean kinetic temperature is calculated for each of the four world climatic zones according to the formula developed by Haynes (2). It is normally higher than the arithmetic mean temperature. 

An additional parameter, which is including the reaction rate constants in the evaluation of the impact of heat on pharmaceutical products, is the Mean Kinetic Temperature (MKT). The MKT was calculated by applying an equation derived by Haynes [11] based on the Arrhenius equation. At first, the activation energy Ea (assumed to be 83.144 kJ/mol) is divided by the universal gas constant R, the result is then divided by the temperature at each time point and place per day measured in degrees... 

Then the mean kinetic temperature per day for each month (MKTd) is achieved by calculating the negative natural logarithm of the above result, converted into degrees Celsius, using the following equation ... 

For rotational levels of i , < 400cm , the slow component of the TOF data was fitted by a Maxwellian speed distribution with a mean kinetic energy < KE >/2k 350 50 K (dividing by 2 to achieve Maxwell-Boltzmann equivalent temperatures). The peak surface temperature induced by the laser pulse in these experiments was calculated to be 300-320 K. The good agreement between the mean kinetic energy determined for this desorption... 

ORM assumes that the atmosphere is in local thermodynamic equilibrium this means that the temperature of the Boltzmann distribution is equal to the kinetic temperature and that the source function in Eq. (4) is equal to the Planck function at the local kinetic temperature. This LTE model is expected to be valid at the lower altitudes where kinetic collisions are frequent. In the stratosphere and mesosphere excitation mechanisms such as photochemical processes and solar pumping, combined with the lower collision relaxation rates make possible that many of the vibrational levels of atmospheric constituents responsible for infrared emissions have excitation temperatures which differ from the local kinetic temperature. It has been found [18] that many C02 bands are strongly affected by non-LTE. However, since the handling of Non-LTE would severely increase the retrieval computing time, it was decided to select only microwindows that are in thermodynamic equilibrium to avoid Non-LTE calculations in the forward model. 

The generation of all silicide phases in dependence on temperature can be thermodynamically explained by means of equilibrium calculations. Taking into accoimt our experimental results for the H2/SiCl4/Ni system, a picture of the mechanism of hydrodehalogenation is developed which combines thermodynamic and kinetic results. 

The temperature of the system is calculated from the mean kinetic energy by... 

MD method, the system studied has constant energy. Its temperature can be defined via the mean kinetic energy. Other thermodynamic properties can be calculated from the numerical derivatives of the energy or by using their relations to certain fluctuations of the system. The specific heat, for instance, can be obtained from the derivative of the energy with respect to the temperature or from the temperature fluctuations. It will be clear that for these derived quantities the uncertainties are larger than for the trajectory itself. 

The spectrum calculated for a Maxwell distribution at a gas temperature of 1000 K is shown for comparison. The measured distribution is very narrow and almost totally to the left of the Maxwell distribution, i.e. almost all desorbing molecules are much "hotter" than 1000 K. The mean kinetic energy of desorbing D2 is in this case about 4kT. Therefore the existence of an activation barrier of adsorption was also concluded from these results. 

The peak maximum temperatures of the pyrolysis (cracking) reaction (450-485 °C) differ so little that for each heating rate a coefficient of variation V = 1.08 % of the corresponding mean has been calculated. Calculation of the kinetic coefficients using ASTM E 698-79 gives the following average values ... 

In the second part we study the ion speciation in infinitely dilute NaCI aqueous solutions by determining the constant of as.sociation by constraint molecular dynamics via mean-force potential calculations. We determine the temperature and density dependence of the extent of the ion association. In addition we analyze the kinetics of the interconversion between two ion pair configurations, the contact ion pair and the solvent-shared ion pair, by determining the transition state theory (TST) kinetic rates. 

Here, since the measurements were done in an integral reactor, calculation must start with the Conversion vs. Temperature function. For an example see Appendix G. Calculation of kinetic constants starts with listed conversion values as vX and corresponding temperatures as vT in array forms. The Vectorize operator of Mathcad 6 tells the program to use the operators and functions with their scalar meanings, element by element. This way, operations that are usually illegal with vectors can be executed and a new vector formed. The v in these expressions indicates a vector. 

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