Mobile order theory

De Fina, K.M., Sharp, T.L., and Acree, W.E., Jr. Solubility of acenaphthene in organic nonelectrolyte solvents. Comparison of observed versus predicted values based on Mobile Order theory, Can.]. C/tem., 77(9) 1537-1541, 1999. 

According to the mobile order theory, a general equation for the expression of volume fraction solubility, 2, is given by... 

Ruelle, R, M. Buchmann, H. Nam-Tran, andU.W. Kesselring. 1992. The mobile order theory versus UNIFAC and regular solution theory-derived models for predicting the solubility of solid substdftbasn. Res.9 788-791. 

Ruelle, P., Buchmann, M., Nam-Tran, H., Kesselring, U. (1993) Application of the mobile order theory to the prediction of aqueous solubility of chlorinated benzenes and biphenyls. Environ. Sci. Technol. 27, 266-270. 

Acree, W. E. Zvaigzne, A. 1. Tucker, S. A. Thermochemical investigations of hydrogen-bonded solutions—development of a predictive equation for the solubflity of anthracene in binary hydrocarbon plus alcohol mixtures based upon mobile order theory. Fluid Phase Equilib. 1994, 92, 233-253. 

Although the thought process for the dissolution of a solute in a solvent delineated at the beginning of Sect. 1.2 is generally adhered to by investigators of solubilities, this is not universally accepted. The mobile order theory of Huyskens and Siegel... 

The mobile order theory (MOT) approach, developed by Huyskens [36], has been widely used by Ruelle et al. to predict the solubility of a diverse set of chemicals of environmental relevance [37, 38]. Paasivirta et al. [39] using this approach estimated the solubility of 73 persistent organic pollutants as a function of temperature. 

In the framework of the mobile order and disorder (MOD) theory five components contribute most to the Gibbs free energy of partitioning of a solute in a biphasic system of two essentially immiscible solvents [23] ... 

Ruelle, P. Universal model based on the mobile order and disorder theory for predicting lipophilidty and partition coefficients in all mutually immiscible two-phase liquid systems. Chem. Inf. Comput. Sci. 2000, 40, 681-700. 

The data plots of Fig. 15b (silica) are differentiated for the use of methyl- -butyl ether (MTBE) or acetonitrile (ACN) as localizing solvent C in the mobile phase. It is seen that for some solute pairs (Fig. 15a and c) the open squares (MTBE) fall on a different curve than the closed squares (ACN). This implies that the constant in Eq. (31a) is solvent-specific, rather than being constant for all solvents (as first-order theory would predict). A similar behavior is observed for alumina as well. Figure 15a plots data for 18 different polar solvents B or C, and some scatter of these plots of log a versus m is observed here, as in Fig. 15b for silica. The variation of Q with the localizing solvent C used for the mobile phase has been shown (18) to correlate with the relative basicity of the solvent, or its placement in the solvent classification scheme of Refs. 40 and 41. Thus, for relatively less basic solvents (groups VI or VII in Refs. 40 and 4/),... 

Azizian, S. Pour, A. H. Solubility of 2-naphthol in organic nonelectrolyte solvents. Comparison of observed versus predicted values based upon mobile order and regular solution theories./. Chem. Res.-S. 2003, 7, 402-404. 

Chickos, J.S., Nichols, G. and Ruelle, P. (2002) The estimation of melting points and fusion enthalpies using experimental solubilities, estimated total phase change entropies, and mobile order and disorder theory. /. Chem. Irf. Comput. Sci, 42, 368-374. 

The analytic theory outlined above provides valuable insight into the factors that determine the efficiency of OI.EDs. However, there is no completely analytical solution that includes diffusive transport of carriers, field-dependent mobilities, and specific injection mechanisms. Therefore, numerical simulations have been undertaken in order to provide quantitative solutions to the general case of the bipolar current problem for typical parameters of OLED materials [144—1481. Emphasis was given to the influence of charge injection and transport on OLED performance. 1. Campbell et at. [I47 found that, for Richardson-Dushman thermionic emission from a barrier height lower than 0.4 eV, the contact is able to supply... 

Equation (12) also contains a pre-exponential factor. In Section 3.8.4 we treated desorption kinetics in terms of transition state theory (Figure 3.14 summarizes the situations we may encounter). If the transition state of a desorbing molecule resembles the chemisorbed state, we expect pre-exponential factors on the order of ek T/h = 10 s . However, if the molecule is adsorbed in an immobilized state but desorbs via a mobile precursor, the pre-exponential factors may be two to three orders of magnitude higher than the standard value of 10 s . ... 

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