format: text

text:
# Untitled Document

HIERARCHIC THEORY OF CONDENSED MATTER :

New state equation &Interrelation between mesoscopic and macroscopic properties

Alex Kaivarainen

JBL, University of Turku, FIN-20520, Turku, Finland

URL: http://www.karelia.ru/~alexk

H2o@karelia.ru

> Materials, presented in this original article are based on:
>
> . Book by A. Kaivarainen: Hierarchic Concept of Matter and Field. Water, biosystems and elementary particles. New York, 1995 and two articles:
>
> . New Hierarchic Theory of Matter General for Liquids and Solids:
>
> dynamics, thermodynamics and mesoscopic structure of water and ice
>
> (see: http://arXiv.org/abs/physics/0003044 and http://www.karelia.ru/~alexk \[New articles\]);
>
> . Hierarchic Concept of Condensed Matter and its Interaction with Light: New Theories of Light Refraction, Brillouin Scattering and Mössbauer effect (see URL: http://www.karelia.ru/~alexk \[New articles\]).
>
> Computerized verification of described here new theories are presented on examples of WATER and ICE, using special computer program (copyright, 1997, A. Kaivarainen).
>
> CONTENTS
>
> Summary of Hierarchic Theory of Matter and Field
>
> 1 The state equation for real gas
>
> 2 New state equation for condensed matter
>
> 3 Vapor pressure
>
> 4 Surface tension
>
> 5 Mesoscopic theory of thermal conductivity
>
> 6 Mesoscopic theory of viscosity for liquids and solids
>
> 7 Brownian diffusion
>
> 8 Self-diffusion in liquids and solids
>
> 9 Mesoscopic approach to proton conductivity in water, ice and other systems containing hydrogen bonds
>
> 10 Regulation of pH and shining of water by electromagnetic and acoustic fields

Summary of

Hierarchic Theory of Condensed Matter (http://arXiv.org/abs/physics/0003044)

A basically new hierarchic quantitative theory, general for solids and liquids, has been developed.

It is assumed, that unharmonic oscillations of particles in any condensed matter lead to emergence of three-dimensional (3D) superposition of standing de Broglie waves of molecules, electromagnetic and acoustic waves. Consequently, any condensed matter could be considered as a gas of 3D standing waves of corresponding nature. Our approach unifies and develops strongly the Einstein’s and Debye’s models.

Collective excitations, like 3D standing de Broglie waves of molecules, representing at certain conditions the mesoscopic molecular Bose condensate, were analyzed, as a background of hierarchic model of condensed matter.

The most probable de Broglie wave (wave B) length is determined by the ratio of Plank constant to the most probable impulse of molecules, or by ratio of its most probable phase velocity to frequency. The waves B are related to molecular translations (tr) and librations (lb).

As far the quantum dynamics of condensed matter does not follow in general case the classical Maxwell-Boltzmann distribution, the real most probable de Broglie wave length can exceed the classical thermal de Broglie wave length and the distance between centers of molecules many times.

This makes possible the atomic and molecular Bose condensation in solids and liquids at temperatures, below boiling point. It is one of the most important results of new theory, confirmed by computer simulations on examples of water and ice.

Four strongly interrelated new types of quasiparticles (collective excitations) were introduced in our hierarchic model:

1. Effectons (tr and lb), existing in ”acoustic” (a) and ”optic” (b) states represent the coherent clusters in general case;

2. Convertons, corresponding to interconversions between tr and lb types of the effectons (flickering clusters);

3. Transitons are the intermediate $`\left[ab\right]`$ transition states of the tr and lb effectons;

4. Deformons are the 3D superposition of IR electromagnetic or acoustic waves, activated by transitons and convertons.

Primary effectons (tr and lb) are formed by 3D superposition of the most probable standing de Broglie waves of the oscillating ions, atoms or molecules. The volume of effectons (tr and lb) may contain from less than one, to tens and even thousands of molecules. The first condition means validity of classical approximation in description of the subsystems of the effectons. The second one points to quantum properties of coherent clusters due to molecular Bose condensation.

The liquids are semiclassical systems because their primary (tr) effectons contain less than one molecule and primary (lb) effectons - more than one molecule. The solids are quantum systems totally because both kind of their primary effectons (tr and lb) are molecular Bose condensates. These consequences of our theory are confirmed by computer calculations.

The 1st order $`\left[gasliquid\right]`$ transition is accompanied by strong decreasing of rotational (librational) degrees of freedom due to emergence of primary (lb) effectons and $`\left[liquidsolid\right]`$ transition - by decreasing of translational degrees of freedom due to mesoscopic Bose-condensation in form of primary (tr) effectons.

In the general case the effecton can be approximated by parallelepiped with edges corresponding to de Broglie waves length in three selected directions (1, 2, 3), related to the symmetry of the molecular dynamics. In the case of isotropic molecular motion the effectons’ shape may be approximated by cube. The edge-length of primary effectons (tr and lb) can be considered as the ”parameter of order”.

The in-phase oscillations of molecules in the effectons correspond to the effecton’s (a) - acoustic state and the counterphase oscillations correspond to their (b) - optic state. States (a) and (b) of the effectons differ in potential energy only, however, their kinetic energies, impulses and spatial dimensions - are the same. The b-state of the effectons has a common feature with Frölich’s polar mode.

The $`(ab)`$ or $`(ba)`$ transition states of the primary effectons (tr and lb), defined as primary transitons, are accompanied by a change in molecule polarizability and dipole moment without density fluctuations. At this case they lead to absorption or radiation of IR photons, respectively. Superposition (interception) of three internal standing IR photons of different directions (1,2,3) - forms primary electromagnetic deformons (tr and lb).

On the other hand, the \[lb$``$tr\] convertons and secondary transitons are accompanied by the density fluctuations, leading to absorption or radiation of phonons.

Superposition, resulting from interception of standing phonons in three directions (1,2,3) is termed: secondary acoustic deformons (tr and lb).

Correlated collective excitations of primary and secondary effectons and deformons (tr and lb), localized in the volume of primary tr and lb electromagnetic deformons, lead to origination of macroeffectons, macrotransitons and macrodeformons (tr and lb respectively).

Correlated simultaneous excitations of tr and lb macroeffectons in the volume of superimposed tr and lb electromagnetic deformons lead to origination of supereffectons.

In turn, the coherent excitation of both: tr and lb macrodeformons and macroconvertons in the same volume means creation of superdeformons. Superdeformons are the biggest (cavitational) fluctuations, leading to microbubbles in liquids and to local defects in solids.

Total number of quasiparticles of condensed matter equal to 4!=24, reflects all of possible combinations of the four basic ones \[1-4\], introduced above. This set of collective excitations in the form of ”gas” of 3D standing waves of three types: de Broglie, acoustic and electromagnetic - is shown to be able to explain virtually all the properties of all condensed matter.

The important positive feature of our hierarchic model of matter is that it does not need the semi-empiric intermolecular potentials for calculations, which are unavoidable in existing theories of many body systems. The potential energy of intermolecular interaction is involved indirectly in dimensions and stability of quasiparticles, introduced in our model.

The main formulae of theory are the same for liquids and solids and include following experimental parameters, which take into account their different properties:

$`\left[1\right]`$\- Positions of (tr) and (lb) bands in oscillatory spectra;

$`\left[2\right]`$\- Sound velocity;

$`\left[3\right]`$\- Density;

$`\left[4\right]`$\- Refraction index (extrapolated to the infinitive wave length of photon$`)`$.

The knowledge of these four basic parameters at the same temperature and pressure makes it possible using our computer program, to evaluate more than 300 important characteristics of any condensed matter. Among them are such as: total internal energy, kinetic and potential energies, heat capacity and thermal conductivity, surface tension, vapor pressure, viscosity, coefficient of self-diffusion, osmotic pressure, solvent activity, etc. Most of calculated parameters are hidden, i.e. inaccessible to direct experimental measurement.

The new interpretation and evaluation of Brillouin light scattering and Mössbauer effect parameters may also be done on the basis of hierarchic theory. Mesoscopic scenarios of turbulence, superconductivity and superfluity are elaborated.

Some original aspects of water in organization and large-scale dynamics of biosystems - such as proteins, DNA, microtubules, membranes and regulative role of water in cytoplasm, cancer development, quantum neurodynamics, etc. have been analyzed in the framework of Hierarchic theory.

Computerized verification of our Hierarchic theory of matter on examples of water and ice is performed, using special computer program: Comprehensive Analyzer of Matter Properties (CAMP, copyright, 1997, Kaivarainen). The new optoacoustic device, based on this program, with possibilities much wider, than that of IR, Raman and Brillouin spectrometers, has been proposed (see URL: http://www.karelia.ru/~alexk \[CAMP\]).

This is the first theory able to predict all known experimental temperature anomalies for water and ice. The conformity between theory and experiment is very good even without any adjustable parameters.

The hierarchic concept creates a bridge between micro- and macro- phenomena, dynamics and thermodynamics, liquids and solids in terms of quantum physics.

\********************************************************************

1. The state equation for real gas

The Clapeyrone-Mendeleyev equation sets the relationship between pressure $`(P)`$, volume $`(V)`$ and temperature ($`T`$) values for the ideal gas containing $`N_0`$ molecules (one mole):

$$PV=N_0kT=RT$$
(1)
In the real gases interactions between the molecules and their sizes should be taken into account. It can be achieved by entering the corresponding amendments into the left part, to the right or to the both parts of eq. (1).

It was Van der Waals who choused the first way more than a hundred years ago and derived the equation:

$$\left(P+\frac{a}{V^2}\right)\left(\begin{array}{c}Vb\end{array}\right)=RT$$
(2)
where the attraction forces are accounted for by the amending term $`(a/V^2)`$, while the repulsion forces and the effects of the excluded volume accounted for the term (b).

Equation (2) correctly describes changes in P,V and T related to liquid-gas transitions on the qualitative level. However, the quantitative analysis by means of (2) is approximate and needs the fitting parameters. The parameters (a) and (b) are not constant for the given substance and depend on temperature. Hence, the Van der Waals equation is only some approximation describing the state of a real gas.

We propose a way to modify the right part of eq.(1), substituting it for the part of the kinetic energy (T) of 1 mole of the substance (eq.4.31 in ) in real gas phase formed only by secondary effectons and deformons with nonzero impulse, affecting the pressure:

$$PV=\frac{2}{3}\overline{T}_{\text{kin}}=\frac{2}{3}V_0\frac{1}{Z}\underset{tr,lb}{}[\overline{n}_{ef}\frac{_1^3\left(\overline{E}_{1,2,3}^a\right)^2}{2m\left(\overline{v}_{ph}^a\right)^2}(\overline{P}_{ef}^a+\overline{P}_{ef}^b)+$$

$$+\overline{n}_d\frac{_1^3\left(\overline{E}_d^{1,2,3}\right)^2}{2m\left(v_s\right)^2}\overline{P}_d]_{tr,lb}$$
(3)
The contribution to pressure caused by primary quasiparticles as Bose-condensate with the zero resulting impulse is equal to zero also.

It is assumed when using such approach that for real gases the model of a system of weakly interacted oscillator pairs is valid. The validity of such an approach for water is confirmed by available experimental data indicating the presence of dimers, trimers and larger $`H_2O`$ clusters in the water vapor (Eisenberg and Kauzmann, 1975).

Water vapor has an intensive band in oscillatory spectra at $`\stackrel{~}{\nu }=200cm^1`$. Possibly, it is this band that characterizes the frequencies of quantum beats between ”acoustic” (a) and ”optic” (b) translational oscillations in pairs of molecules and small clusters. The frequencies of librational collective modes in vapor are absent.

The energies of primary gas quasiparticles $`(h\nu _a`$ and $`h\nu _b)`$ can be calculated on the basis of the formulae used for a liquid (Chapter 4 of  or ).

However, to calculate the energies of secondary quasiparticles in (ā) and (b̄) states the Bose-Einstein distribution must be used for the case when the temperature is higher than the Bose-condensation temperature $`(T>T_0)`$ and the chemical potential is not equal to zero $`(\mu <0)`$. According to this distribution:

$$\begin{array}{c}\left\{\overline{E}^a=h\overline{\nu }^a=\frac{h\nu ^a}{\mathrm{exp}\left(\frac{h\nu ^a\mu }{kT}\right)1}\right\}_{tr,lb}\hfill \\ \left\{\overline{E}^b=h\overline{\nu }^b=\frac{h\nu ^b}{\mathrm{exp}\left(\frac{h\nu ^b\mu }{kT}\right)1}\right\}_{tr,lb}\hfill \end{array}$$
(4)
The kinetic energies of effectons $`(\overline{a})_{tr,lb}`$ and $`(\overline{b})_{tr,lb}`$ states are equal, only the potential energies differ as in the case of condensed matter.

All other parameters in basic equation (3) can be calculated as previously described .

2. New state equation for condensed matter

Using our eq.(4.3 from ) for the total internal energy of condensed matter $`(U_{\text{tot}})`$, we can present state equation in a more general form than (3).

For this end we introduce the notions of internal pressure $`(P_{\text{in}})`$, including all type of interactions between particles of matter and excluded molar volume $`(V_{\text{exc}})`$:

$$V_{\text{exc}}=\frac{4}{3}\pi \alpha ^{}N_0=V_0\left(\frac{n^21}{n^2}\right)$$
(5)
where $`\alpha ^{}`$ is the acting polarizability of molecules in condensed matter $`(`$see Part 1 of $`);N_0`$ is Avogadro number, and $`V_0`$ is molar volume.

The general state equation can be expressed in the following form:

$$P_{\text{tot}}V_{fr}=(P_{\text{ext}}+P_{\text{in}})(V_0V_{\text{exc}})=U_{ef}$$
(6)
where: $`U_{ef}=U_{\text{tot}}(1+V/T_{\text{kin}}^t)=U_{\text{tot}}^2/T_{\text{kin}}`$ is the effective internal energy and:

$$(1+V/T_{\text{kin}})=U_{\text{tot}}/T_{\text{kin}}=S^1$$

is the reciprocal value of the total structural factor $`(eq\mathrm{.2.46}aof[1]);P_{\text{tot}}=P_{\text{ext}}+P_{\text{in}}`$ is total pressure, $`P_{\text{ext}}`$ and $`P_{\text{in}}`$ are external and internal pressures; $`V_{fr}=V_0V_{\text{exc}}=V_0/n^2(`$see eq.5) is a free molar volume; $`U_{\text{tot}}=V+T_{\text{kin}}`$ is the total internal energy, V and $`T_{\text{kin}}`$ are total potential and kinetic energies of one mole of matter.

For the limit case of ideal gas, when $`P_{\text{in}}=0;V_{\text{exc}}=0`$; and the potential energy $`V=0`$, we get from (6) the Clapeyrone - Mendeleyev equation (see 1):

$$P_{\text{ext}}V_0=T_{\text{kin}}=RT$$

One can use equation of state (6) for estimation of sum of all types of internal matter interactions, which determines the internal pressure $`P_{\text{in}}`$:

$$P_{\text{in}}=\frac{U_{ef}}{V_{fr}}P_{\text{ext}}=\frac{n^2U_{\text{tot}}^2}{V_0T_{\text{kin}}}P_{\text{ext}}$$
(7)
where: the molar free volume: $`V_{fr}=V_0V_{\text{exc}}=V_0/n^2`$;

and the effective total energy: $`U_{ef}=U_{\text{tot}}^2/T_{\text{kin}}=U_{\text{tot}}/`$S.

For solids and most of liquids with a good approximation: $`P_{\text{in}}[P_{\text{ext}}1`$ atm. $`=10^5Pa]`$. Then from (7) we have:

$$P_{\text{in}}\frac{n^2U_{\text{tot}}}{V_0S}=\frac{n^2}{V_0}U_{\text{tot}}\left(1+\frac{V}{T_{\text{kin}}}\right)$$
(8)
where $`S=T_{\text{kin}}/U_{\text{tot}}`$ is a total structural factor; $`T_{\text{kin}}`$ and V are total kinetic and potential energies, respectively.

For example for 1 mole of water under standard conditions we obtain:

$`V_{\text{exc}}=8.4cm^3;V_{fr}=9.6cm^3;V_0=V_{\text{exc}}+V_{fr}=18cm^3;`$

$`P_{\text{in}}380000`$ atm. $`=3.810^{10}Pa`$ (1 atm. =10$`{}_{}{}^{5}Pa).`$

The parameters such as sound velocity, molar volume, and the positions of translational and librational bands in oscillatory spectra that determine $`U_{ef}(4.3)`$ depend on external pressure and temperature.

The results of computer calculations of $`P_{\text{in}}(eq.7)`$ for ice and water are presented on Fig. 1 a,b.

Polarizability and, consequently, free volume $`(V_{fr})`$ and $`P_{\text{in}}`$ in (6) depend on energy of external electromagnetic fields (see Part 1 of .

> Fig. 1. (a) Theoretical temperature dependence of internal pressure $`(P_{\text{in}})`$ in ice including the point of \[ice $``$ water\] phase transition; (b) Theoretical temperature dependence of internal pressure $`(P_{\text{in}})`$ in water. Computer calculations were performed using eq. (7).

The minima of $`P_{\text{in}}(T)`$ for ice at $`140^0`$ and $`50^0C`$ in accordance with eq.(9) correspond to the most stable structure of this matter, related to temperature transition. In water some kind of transition appears at $`35^0C`$, near physiological temperature.

There may exist conditions when the derivatives of internal pressure P$`_{\text{in}}`$ are equal to zero:

$$(a):\left(\frac{P_{\text{in}}}{P_{\text{ext}}}\right)_T=0\text{ and }(b):\left(\frac{P_{\text{in}}}{T}\right)_{P_{\text{ext}}}=0$$
(9)
This condition corresponds to the minima of potential energy, i.e. to the most stable structure of given matter. In a general case there may be a few metastable states when conditions (9) are fulfilled.

Equation of state (7) may be useful for the study of mechanical properties of condensed matter and their change under different influences.

Differentiation of (6) by external pressure gives us at T = const:

$$V_{fr}+\frac{P_{fr}}{P_{\text{ext}}}(P_{\text{ex}}+P_{\text{in}})+V_{fr}\frac{P_{\text{in}}}{P_{\text{ext}}}=\frac{P_{ef}}{P_{\text{ext}}}$$
(10)
Dividing the left and right part of (10) by free volume $`V_{fr}`$ we obtain:

$$\left(\frac{P_{\text{in}}}{P_{\text{ext}}}\right)_T=\left(\frac{P_{ef}}{P_{\text{ext}}}\right)_T\left[\begin{array}{c}1+\beta _T(P_{\text{ext}}+P_{\text{in}})\end{array}\right]_T$$
(11)
where: $`\beta _T=(V_{fr}/P_{\text{ext}})/V_{fr}`$ is isothermal compressibility. From (9) and (11) we derive condition for the maximum stability of matter structure:

$$\left(\frac{P_{ef}}{P_{\text{ext}}}\right)_T=1+\beta _T^0P_{\text{tot}}^{\text{opt}}$$
(12)
where: $`P_{\text{tot}}^{\text{opt}}=P_{\text{ext}}+P_{\text{in}}^{\text{opt}}`$ is the ”optimum” total pressure.

The derivative of (6) by temperature gives us at $`P_{\text{ext}}=`$ const:

$$P_{\text{tot}}\left(\frac{V_{fr}}{T}\right)_{P_{\text{ext}}}+V_{fr}\left(\frac{P_{\text{in}}}{T}\right)_{P_{\text{ext}}}=\left(\frac{U_{ef}}{T}\right)_{P_{\text{ext}}}=C_V$$
(13)
where

$`\left({\displaystyle \frac{V_{fr}}{T}}\right)_{P_{\text{ext}}}`$ $`=\left({\displaystyle \frac{V_0}{T}}\right)_{P_{\text{ext}}}{\displaystyle \frac{4}{3}}\pi N_0\left({\displaystyle \frac{\alpha ^{}}{T}}\right)_{P_{\text{ext}}}`$ (14)
$`\text{and }\left({\displaystyle \frac{V_{\text{tot}}}{T}}\right)_{P_{\text{ext}}}`$ $`={\displaystyle \frac{P_{\text{in}}}{T}}`$ (14a)
From our mesoscopic theory of refraction index (Part 1 of ) the acting polarizability $`\alpha ^{}`$ is:

$$\alpha ^{}=\frac{\left(\frac{n^21}{n^2}\right)}{\frac{4}{3}\pi \frac{N_0}{V_0}}$$
(15)
When condition (9b) is fulfilled, we obtain for optimum internal pressure $`(P_{\text{in}}^{\text{opt}})`$ from (13):

$$P_{\text{in}}^{\text{opt}}=C_V/\left(\frac{V_{fr}}{T}\right)_{P_{\text{ext}}}P_{\text{ext}}$$
(16)
or

$$P_{\text{in}}^{\text{opt}}=\frac{C}{V_{fr}\gamma }P_{\text{ext}},$$
(17)
where

$$\gamma =(V_{fr}/T)/V_{fr}$$
(18)
is the thermal expansion coefficient;

V<sub>fr</sub> is the total free volume in 1 mole of condensed matter:

$$V_{fr}=V_0V_{\text{exc}}=V_0/n^2$$
(19)
It is taken into account in (13) and (19) that

$$(V_{\text{exc}}/T)0$$
(20)
because, as has been shown earlier (Fig.25a of  and Part 1 of ),

$$\alpha ^{}/T0$$

Dividing the left and right parts of (13) by $`P_{\text{tot}}V_{fr}=U_{ef}`$, we obtain for the heat expansion coefficient:

$$\gamma =\frac{C_V}{U_{ef}}\frac{1}{P_{\text{tot}}}\left(\frac{P_{\text{in}}}{T}\right)_{P_{\text{ext}}}$$
(21)
Under metastable states, when condition (9 b) is fulfilled,

$$\gamma ^0=C_V/U_{ef}$$
(22)
Putting (8) into (12), we obtain for isothermal compressibility of metastable states corresponding to (9a) following formula:

$$\beta _T^0=\frac{V_0T_{\text{kin}}}{n^2U_{\text{tot}}^2}\left(\frac{U_{ef}}{P_{\text{ext}}}1\right)$$
(23)
It seems that our equation of state (7) may be used to study different types of external influences (pressure, temperature, electromagnetic radiation, deformation, etc.) on the thermodynamic and mechanic properties of solids and liquids.

3. Vapor pressure

When a liquid is incubated long enough in a closed vessel at constant temperature, then an equilibrium between the liquid and vapor is attained.

At this moment, the number of molecules evaporated and condensed back to liquid is equal. The same is true of the process of sublimation.

There is still no satisfactory quantitative theory for vapor pressure calculation.

We can suggest such a theory using our notion of superdeformons, representing the biggest thermal fluctuations (see Table 1 and Introduction). The basic idea is that the external equilibrium vapor pressure is related to internal one $`(P_{\text{in}}^S)`$ with coefficient determined by the probability of cavitational fluctuations (superdeformons) in the surface layer of liquids or solids.

In other words due to excitation of superdeformons with probability $`(P_D^S)`$, the internal pressure $`(P_{\text{in}}^S)`$ in surface layers, determined by the total contributions of all intramolecular interactions turns to external one - vapor pressure $`(P_V)`$. It is something like a compressed spring energy realization due to trigger switching off.

For taking into account the difference between the surface and bulk internal pressure $`(P_{\text{in}})`$ we introduce the semiempirical surface pressure factor $`(q^S)`$ as:

$$P_{\text{in}}^S=q^SP_{\text{in}}P_{\text{ext}}=q^S\frac{n^2U_{\text{tot}}}{V_0S}P_{\text{ext}}$$
(24)
where: P$`_{\text{in}}`$ corresponds to $`eq.(7);S=T_{\text{kin}}/U_{\text{tot}}`$ is a total structure factor.

The value of surface factor $`(q^S)`$ for liquid and solid states is not the same:

$$q_{\text{liq}}^S<q_{\text{sol}}^S$$
(25)
> Fig. 2. a) Theoretical $`()`$ and experimental ($``$) temperature dependences of vapor pressure $`(P_{\text{vap}})`$ for ice (a) and water (b) including phase transition region. Computer calculations were performed using eq. (26).

Multiplying (24) to probability of superdeformons excitation we obtain for vapor pressure, resulting from evaporation or sublimation, the following formulae:

$$P_{vap}=P_{\text{in}}^SP_D^S=\left(q^S\frac{n^2U_{\text{tot}}^2}{V_0T_{\text{kin}}}P_{\text{ext}}\right)\mathrm{exp}\left(\frac{E_D^S}{kT}\right)$$
(26)
where:

$$P_D^S=\mathrm{exp}\left(\frac{E_D^S}{kT}\right)$$
(27)
is a probability of superdeformons excitation (see eqs. 3.37, 3.32 and 3.33).

We can assume, that the difference in the surface and bulk internal pressure is determined mainly by difference in total internal energy $`(U_{\text{tot}})`$ but not in kinetic one $`(T_k)`$. Then a pressure surface factor could be presented as:

$$q^S=\gamma ^2=(U_{\text{in}}/U_{\text{tot}})^2$$

where: $`\gamma =U_{\text{tot}}^S/U_{\text{tot}}`$ is the surface energy factor, reflecting the ratio of surface and bulk total energy.

Theoretical calculated temperature dependences of vapor pressure, described by (26) coincide very well with experimental ones for water at $`q_{\text{liq}}^S=3.1(\gamma _l=1.76)`$ and for ice at $`q_{\text{sol}}^S=18(\gamma _s=4.24)(`$Fig. 2).

The almost five-times difference between q$`{}_{}{}^{S}{}_{\text{sol}}{}^{}`$ and $`q_{\text{liq}}^S`$ means that the surface properties of ice differ from bulk ones much more than for liquid water.

The surface factors $`q_{\text{liq}}^S`$ and $`q_{\text{sol}}^S`$ should be considered as a fit parameters. The $`q^S=`$ $`\gamma ^2`$ is the only one fit parameter that was used in our hierarchic mesoscopic theory. Its calculation from the known vapor pressure or surface tension can give an important information itself.

4. Surface tension

The resulting surface tension is introduced in our mesoscopic model as a sum:

$$\sigma =(\sigma _{tr}+\sigma _{lb})$$
(28)
where: $`\sigma _{tr}`$ and $`\sigma _{lb}`$ are translational and librational contributions to surface tension. Each of these components can be expressed using our mesoscopic state equation (6, 7), taking into account the difference between surface and bulk total energies $`(q^S)`$, introduced in previous section:

$$\sigma _{tr,lb}=\frac{1}{\frac{1}{\pi }(V_{ef})_{tr,lb}^{2/3}}\left[\frac{q^SP_{\text{tot}}(P_{ef}V_{ef})_{tr,lb}P_{\text{tot}}(P_{ef}V_{ef})_{tr,lb}}{(P_{ef}+P_t)_{tr}+(P_{ef}+P_t)_{lb}+(P_{\text{con}}+P_{\text{cMt}})}\right]$$
(29)
where $`(V_{ef})_{tr,lb}`$ are volumes of primary tr and lib effectons, related to their concentration $`(n_{ef})_{tr,lb}`$ as:

$$(V_{ef})_{tr,lb}=(1/n_{ef})_{tr,lb};$$

$$r_{tr,lb}=\frac{1}{\pi }(V_{ef})_{tr,lb}^{2/3}$$

is an effective radius of the primary translational and librational effectons, localized on the surface of condensed matter; $`q^S`$ is the surface factor, equal to that used in eq.(24 -26)$`;[P_{\text{tot}}=P_{\text{in}}+P_{\text{ext}}]`$ is a total pressure, corresponding to eq.(6);$`(P_{ef})_{tr,lb}`$ is a total probability of primary effecton excitations in the (a) and (b) states:

$$(P_{ef})_{tr}=(P_{ef}^a+P_{ef}^b)_{tr}$$

$$(P_{ef})_{lb}=(P_{ef}^a+P_{ef}^b)_{lb}$$

$`(P_t)_{tr}`$ and $`(P_t)_{lb}`$ in (29) are the probabilities of corresponding transiton excitation;

$`P_{\text{con}}=P_{ac}+P_{bc}`$ is the sum of probabilities of $`\left[a\right]`$ and $`\left[b\right]`$ convertons; $`P_{\text{cMt}}=P_{ac}P_{bc}`$ is the probability of Macroconverton (see Introduction and Chapter 4).

The eq. (29) contains the ratio:

$$(V_{ef}/V_{ef}^{2/3})_{tr,lb}=l_{tr,lb}$$
(30)
where: $`l_{tr}=(1/n_{ef})_{tr}^{1/3}`$ and $`l_{lb}=(1/n_{ef})_{\text{lib}}^{1/3}`$ are the length of the ribs of the primary translational and librational effectons, approximated by cube.

Using (30) and (29) the resulting surface tension (28) can be presented as:

$$\sigma =\sigma _{tr}+\sigma _{lb}=\pi \frac{\begin{array}{c}P_{\text{tot}}(q^S1)\left[\begin{array}{c}(P_{ef})_{tr}l_{tr}+(P_{ef})l_{lb}\end{array}\right]\end{array}}{(P_{ef}+P_t)_{tr}+(P_{ef}+P_t)_{lb}+(P_{\text{con}}+P_{\text{cMt}})}$$
(31)
where translational component of surface tension is:

$$\sigma _{tr}=\pi \frac{P_{\text{tot}}(q^s1)(P_{ef})_{tr}l_{tr}}{(P_{ef}+P_t)_{tr}+(P_{ef}+P_t)_{lb}+(P_{\text{con}}+P_{\text{cMt}})}$$
(32)
and librational component of $`\sigma `$ is:

$$\sigma _{lb}=\pi \frac{P_{\text{tot}}(q^S1)(P_{ef})_{lb}l_{lb}}{(P_{ef}+P_t)_{lb}+(P_{ef}+P_t)_{lb}+(P_{\text{con}}+P_{\text{cMt}})}$$
(33)
Under the boiling condition when q$`{}_{}{}^{S}`$ 1 as a result of $`(U_{\text{tot}}^SU_{\text{tot}})`$, then $`\sigma _{tr},\sigma _{lb}`$ and $`\sigma `$ tends to zero. The maximum depth of the surface layer, which determines the $`\sigma _{lb}`$is equal to the length of edge of cube $`\left(l_{lb}\right)`$, that approximates the shape of primary librational effectons. It decreases from about 20 Å at 0$`{}_{}{}^{0}C`$ till about 2.5 Å at 100$`{}_{}{}^{0}C(`$see Fig. 7b of  or Fig. 4b of ). Monotonic decrease of $`\left(l_{lb}\right)`$with temperature could be accompanied by nonmonotonic change of probabilities of \[lb/tr\] convertons and macroconvertons excitations (see comments to Fig. 7a of  or to Fig 4a of ). Consequently, the temperature dependence of surface tension on temperature can display anomalies at definite temperatures. This consequence of our theory is confirmed experimentally (Adamson, 1982; Drost-Hansen and Lin Singleton, 1992).

The thickness of layer $`\left(l_{tr}\right)`$, responsible for contribution of translational effectons in surface tension $`\left(\sigma _{tr}\right)`$has the dimension of one molecule in all temperature interval for liquid water.

The results of computer calculations of $`\sigma `$(eq.31) for water and experimental data are presented at Fig.3.

> Fig. 3. Experimental $`(^{\mathrm{\_}\mathrm{\_}\mathrm{\_}})`$ and theoretical (- - -) temperature dependences of the surface tension for water, calculated from eq.(31).

It is obvious, that the correspondence between theory and experiment is very good, confirming in such a way the correctness of our model and Hierarchic concept in general.

5. Mesoscopic theory of thermal conductivity

Thermal conductivity may be related to phonons, photons, free electrons, holes and \[electron-hole\] pairs movement.

We will discuss here only the main type of thermal conductivity in condensed matter, related to phonons.

The analogy with the known formula for thermal conductivity ($`\kappa `$) in the framework of the kinetic theory for gas is used :

$$\kappa =\frac{1}{3}C_vv_s\mathrm{\Lambda }$$
(34)
where C<sub>v</sub> is the heat capacity of condensed matter, $`v_s`$ is sound velocity, characterizing the speed of phonon propagation in matter, and $`\mathrm{\Lambda }`$ is the average length of free run of phonons.

The value of $`\mathrm{\Lambda }`$ depends on the scattering and dissipation of phonons at other phonons and different types of defects. Usually decreasing temperature increases $`\mathrm{\Lambda }`$.

Different factors influencing a thermal equilibrium in the system of phonons are discussed. Among them are the so called U- and N- processes describing the types of phonon-phonon interaction. However, the traditional theories are unable to calculate $`\mathrm{\Lambda }`$ directly.

Mesoscopic theory introduce two contributions to thermal conductivity: related to phonons, irradiated by secondary effectons and forming secondary translational and librational deformons ($`\kappa _{sd}`$)<sub>tr,lb</sub> and to phonons, irradiated by $`a`$ and $`b`$ convertons $`[tr/lb]`$, forming the convertons-induced deformons $`(\kappa _{cd})_{ac.bc}`$:

$$\kappa =(\kappa _{sd})_{tr,lb}+(\kappa _{cd})_{ac.bc}=\frac{1}{3}C_vv_s[(\mathrm{\Lambda }_{sd})_{tr,lb}+(\mathrm{\Lambda }_{cd})_{ac,bc}]$$
(35)
where: free runs of secondary phonons (tr and lb) are represented as:

$$1/(\mathrm{\Lambda }_{sd})_{tr,lb}=1/(\mathrm{\Lambda }_{tr})+1/(\mathrm{\Lambda }_{lb})=(\overline{\nu }_d)_{tr}/v_s+(\overline{\nu }_d)_{lb}/v_s$$

consequently:

$$1/(\mathrm{\Lambda }_{sd})_{tr,lb}=\frac{v_s}{(\overline{\nu }_d)_{tr}+(\overline{\nu }_d)_{lb}}$$
(36)
and free runs of convertons-induced phonons:

$$1/(\mathrm{\Lambda }_{cd})_{ac,bc}=1/(\mathrm{\Lambda }_{ac})+1/(\mathrm{\Lambda }_{bc})=(\nu _{ac})/v_s+(\nu _{bc})/v_s$$

$$\text{consequently: }(\mathrm{\Lambda }_{sd})_{tr,lb}=\frac{v_s}{(\nu _d)_{tr}+(\nu _d)_{lb}}$$
(37)
The heat capacity: $`C_V=U_{\text{tot}}/T`$ can be calculated also from our theory (see Chapter 4 and 5).

> Fig. 4. Temperature dependences of total thermal conductivity for water and contributions, related to acoustic deformons and $`[lb/tr]`$convertons. The dependences were calculated, using eq. (37).

Quantitative calculations show that formula (35), based on our mesoscopic model, works well for water (Fig. 4). It could be used for any other condensed matter also if positions of translational and librational bands, sound velocity and molar volume for this matter at the same temperature interval are known.

The small difference between experimental and theoretical data can reflect the contributions of non-phonon process in thermal conductivity, related to macrodeformons, superdeformons and macroconvertons, i.e. big fluctuations.

6. Mesoscopic theory of viscosity for liquids and solids

The viscosity is determined by the energy dissipation as a result of medium (liquid or solid) structure deformation. Viscosity corresponding to the shift deformation is named shear viscosity. So- called bulk viscosity is related to deformation of volume parameters and corresponding dissipation. These types of viscosity have not the same values and nature.

The statistical theory of irreversible process leads to the following expression for shear viscosity (Prokhorov, 1988):

$$\eta =\text{ }nkT\tau _p+(\mu _{\mathrm{}}\text{ }\text{ }nkT)\tau _q$$
(38)
where n is the concentration of particles, $`\mu _{\mathrm{}}`$ is the modulus of instant shift characterizing the instant elastic reaction of medium, $`\tau _p`$ and $`\tau _q`$ are the relaxation times of impulses and coordinates, respectively.

However, eq.(38) is inconvenient for practical purposes due to difficulties in determination of $`\tau _p,\tau _q`$ and $`\mu _{\mathrm{}}`$.

Sometimes in a narrow temperature interval the empiric Ondrade equation is working:

$$\eta =A(T)\mathrm{exp}(\beta /T)$$
(39)
A(T) is a function poorly dependent on temperature.

A good results in study the microviscosity problem were obtained by combining the model of molecular rotational relaxation  and the Kramers equation (Åkesson et al., 1991). However, the using of the fit parameters was necessarily in this case also.

We present here our mesoscopic theory of viscosity. To this end the dissipation processes, related to ($`AB)_{tr.lb}`$ cycles of translational and librational macroeffectons and (a,b)-convertons excitations were used. The same approach was employed for elaboration of mesoscopic theory of diffusion in condensed matter (see next section).

In contrast to liquid state, the viscosity of solids is determined by the biggest fluctuations: supereffectons and superdeformons, resulting from simultaneous excitations of translational and librational macroeffectons and macrodeformons in the same volume.

The dissipation phenomena and ability of particles or molecules to diffusion are related to the local fluctuations of the free volume $`(\mathrm{\Delta }v_f)_{tr,lb}`$. According to mesoscopic theory, the fluctuations of free volume and that of density occur in the almost macroscopic volumes of translational and librational macrodeformons and in mesoscopic volumes of macroconvertons, equal to volume of primary librational effecton at the given conditions. Translational and librational types of macroeffectons determine two types of viscosity, i.e. translational $`(\eta _{tr})`$ and librational $`(\eta _{lb})`$ ones. They can be attributed to the bulk viscosity. The contribution to viscosity, determined by (a and b)- convertons is much more local and may be responsible for microviscosity and mesoviscosity.

Let us start from calculation of the additional free volumes $`(\mathrm{\Delta }v_f)`$ originating from fluctuations of density, accompanied the translational and librational macrodeformons (macrotransitons).

For 1 mole of condensed matter the following ratio between free volume and concentration fluctuations is true:

$$\left(\frac{\mathrm{\Delta }v_f}{v_f}\right)_{tr,lb}=\left(\frac{\mathrm{\Delta }N_0}{N_0}\right)_{tr,lb}$$
(40)
where $`N_0`$ is the average number of molecules in 1 mole of matter

$$\text{and }(\mathrm{\Delta }N_0)_{tr,lb}=N_0\left(\frac{P_D^M}{Z}\right)_{tr,lb}$$
(41)
is the number of molecules changing their concentration as a result of translational and librational macrodeformons excitation.

The probability of translational and librational macroeffectons excitation (see eqs. 3.23; 3.24):

$$\left(\frac{P_D^M}{Z}\right)_{tr,lb}=\frac{1}{Z}\mathrm{exp}(\frac{ϵ_D^M}{kT})_{tr,lb}$$
(42)
where Z is the total partition function of the system (Chapter 4 of ).

Putting (41) to (40) and dividing to Avogadro number $`(N_0)`$, we obtain the fluctuating free volume, reduced to 1 molecule of matter:

$$\mathrm{\Delta }v_f^0=\frac{\mathrm{\Delta }v_f}{N_0}=\left[\frac{v_f}{N_0}\left(\frac{P_D^M}{Z}\right)\right]_{tr,lb}$$
(43)
It has been shown above (eq.19) that the average value of free volume in 1 mole of matter is:

$$v_f=V_0/n^2$$

Consequently, for reduced fluctuating (additional) volume we have:

$$(\mathrm{\Delta }v_f^0)_{tr,lb}=\frac{V_0}{N_0n^2}\frac{1}{Z}\mathrm{exp}(\frac{ϵ_D^M}{kT})_{tr,lb}$$
(44)
Taking into account the dimensions of viscosity and its physical sense, it should be proportional to the work (activation energy) of fluctuation-dissipation, necessary for creating the unit of additional free volume: $`(E_D^M/\mathrm{\Delta }v_f^0)`$, and the period of ($`AB)_{tr.lb}`$ cycles of translational and librational macroeffectons $`\tau _{AB},`$determined by the life-times of all intermediate states (eq.46).

In turn, the energy of dissipation should be strongly dependent on the structural factor (S): the ratio of kinetic energy of matter to its total internal energy. We assume here that this dependence for viscosity calculation is cubical: $`(T_k/U_{\text{tot}})^3=S^3`$.

Consequently, the contributions of translational and librational macrodeformons to resulting viscosity we present in the following way:

$$\eta _{tr,lb}^M=\left[\frac{E_D^M}{\mathrm{\Delta }v_f^0}\tau ^M\left(\frac{T_k}{U_{\text{tot}}}\right)^3\right]_{tr,lb}$$
(45)
where: reduced fluctuating volume $`(\mathrm{\Delta }v_f^0)`$ corresponds to (44); the energy of macrodeformons: $`[E_D^M=kT(\mathrm{ln}P_D^M)]_{tr,lb}`$.

The cycle-periods of the tr and lib macroeffectons has been introduced as:

$$\left[\tau ^M=\tau _A+\tau _B+\tau _D\right]_{tr,lb}$$
(46)
where: characteristic life-times of macroeffectons in A, B-states and that of transition state in the volume of primary electromagnetic deformons can be presented, correspondingly, as follows:

$$\left[\tau _A=\left(\tau _a\tau _{\overline{a}}\right)^{1/2}\right]_{tr,lb}\text{ and }\left[\tau _A=\left(\tau _a\tau _{\overline{a}}\right)^{1/2}\right]_{tr,lb}$$
(47)
$$\left[\tau _D=\left|(1/\tau _A)(1/\tau _B)\right|^1\right]_{tr,lb}$$

Using (47, 46 and 44) it is possible to calculate the contributions of $`\left(AB\right)`$ cycles of translational and librational macroeffectons to viscosity separately, using (45).

The averaged contribution of macroexcitations (tr and lb)in viscosity is:

$$\eta ^M=\left[\begin{array}{c}(\eta )_{tr}^M(\eta )_{lb}^M\end{array}\right]^{1/2}$$
(48)
The contribution of a and b convertons to viscosity of liquids could be presented in a similar to (44-48) manner after substituting the parameters of tr and lb macroeffectons with parameters of a and b convertons:

$$\eta _{ac,bc}=\left[\frac{E_c}{\mathrm{\Delta }v_f^0}\tau _c\left(\frac{T_k}{U_{\text{tot}}}\right)^3\right]_{ac,bc}$$
(49)
where: reduced fluctuating volume of (a and b) convertons $`(\mathrm{\Delta }v_f^0)_{ac,bc}`$ corresponds to:

$$(\mathrm{\Delta }v_f^0)_{ac,bc}=\frac{V_0}{N_0n^2}\frac{1}{Z}P_{ac,bc}$$
(50)
where: $`P_{ac}`$ and $`P_{bc}`$ are the relative probabilities of tr/lib interconversions between a and b states of translational and librational primary effectons (see Introduction and Chapter $`4);E_{ac}`$ and $`E_{bc}`$ are the excitation energies of (a and b) convertons correspondingly (see Chapter 4 of  and );

Characteristic life-times for ac-convertons and bc-convertons $`[tr/lb]`$ in the volume of primary librational effectons (”flickering clusters”) could be presented as:

$$\begin{array}{c}\tau _{ac}=(\tau _a)_{tr}+(\tau _a)_{lb}=(1/\nu _a)_{tr}+(1/\nu _a)_{lb}\hfill \\ \tau _{bc}=(\tau _b)_{tr}+(\tau _b)_{lb}=(1/\nu _b)_{tr}+(1/\nu _b)_{lb}\hfill \end{array}$$
(51)
The averaged contribution of the both types of convertons in viscosity is:

$$\eta _c=(\eta _{ac}\eta _{bc})^{1/2}$$
(52)
This contribution could be responsible for microviscosity or better term: mesoviscosity, related to volumes, equal to that of primary librational effectons.

The resulting viscosity (Fig.5) is a sum of the averaged contributions of macrodeformons and convertons:

$$\eta =\eta ^M+\eta _c$$
(53)
> Fig. 5. Theoretical and experimental temperature dependences of viscosities for water. Computer calculations were performed using eqs. (44 - 53) and (4.3; 4.36).

The best correlation between theoretical and experimental data was achieved after assuming that only ($`\pi /2=2\pi /4)`$ part of the period of above described fluctuation cycles is important for dissipation and viscosity. Introducing this factor to equations for viscosity calculations gives up very good correspondence between theory and experiment in all temperature interval (0-100<sup>0</sup>C) for water (Fig.5).

As will be shown below the same factor, introducing the effective time of fluctuations \[$`\frac{\tau }{\pi /2}`$\], leads to best results for self-diffusion coefficient calculation.

In the classical hydrodynamic theory the sound absorption coefficient ($`\alpha `$) obtained by Stokes includes share $`(\eta )`$ and bulk $`(\eta _b)`$ averaged macroviscosities:

$$\alpha =\frac{\mathrm{\Omega }}{2\rho v_s^3}\left(\frac{4}{3}\eta +\eta _b\right),$$
(54)
where $`\mathrm{\Omega }`$ is the angular frequency of sound waves; $`\rho `$ is the density of liquid.

Bulk viscosity ($`\eta _b`$) is usually calculated from the experimental $`\eta `$ and $`\alpha `$. It is known that for water:

$$(\eta _b/\eta )3.$$

The viscosity of solids

In accordance with our model, the biggest fluctuations: supereffectons and superdeformons (see Introduction) are responsible for viscosity and diffusion phenomena in solid state. Superdeformons are accompanied by the emergency of cavitational fluctuations in liquids and the defects in solids. The presentation of viscosity formula in solids $`(\eta _s)`$ is similar to that for liquids:

$$\eta _S=\frac{E_S}{(\mathrm{\Delta }v_f^0)_S}\tau _S\left[\frac{T_k}{U_{\text{tot}}}\right]^3$$
(55)
where: reduced fluctuating volume, related to superdeformons excitation $`(\mathrm{\Delta }v_f^0)_s`$ is:

$$(\mathrm{\Delta }v_f^0)_S=\frac{V_0}{N_0n^2}\frac{1}{Z}P_S$$
(56)
where: $`P_s=(P_D^M)_{tr}(P_D^M)_{lb}`$ is the relative probability of superdeformons, equal to product of probabilities of tr and lb macrodeformons excitation (see $`42);E_s=kT\mathrm{ln}P_s`$ is the energy of superdeformons (see Chapter 4);

Characteristic cycle-period of $`(A^{}B^{})`$ transition of supereffectons is related to its life-times in A$`^{},`$Band transition D$`^{}`$states (see eq.46) as was shown in section 4.3:

$$\tau _S=\tau _A^{}+\tau _B^{}+\tau _D^{}$$
(56a)
The viscosity of ice, calculated from eq.(55) is bigger than that of water (eq.53) to about $`10^5`$ times. This result is in accordance with available experimental data.

7. Brownian diffusion

The important formula obtained by Einstein in his theory of Brownian motion is for translational motion of particle:

$$r^2=6Dt=\frac{kT}{\pi \eta a}t$$
(57)
and that for rotational Brownian motion:

$$\phi ^2=\frac{kT}{4\pi \eta a^3}t$$
(58)
where: a \- radius of spherical particle, much larger than dimension of molecules of liquid. The coefficient of diffusion D for Brownian motion is equal to:

$$D=\frac{kT}{6\pi \eta a}$$
(59)
If we take the angle $`\overline{\phi }^2=1/3`$ in (59), then the corresponding rotational correlation time comes to the form of the known Stokes- Einstein equation:

$$\tau =\frac{4}{3}\pi a^3\frac{1}{k}\left(\frac{\eta }{T}\right)$$
(60)
All these formulas (57 - 60) include macroscopic share viscosity $`(\eta )`$ corresponding to our (53).

8. Self-diffusion in liquids and solids

Molecular theory of self-diffusion, as well as general concept of transfer phenomena in condensed matter is extremely important, but still unresolved problem.

Simple semiempirical approach developed by Frenkel leads to following expression for diffusion coefficient in liquid and solid:

$$D=\frac{a^2}{\tau _0}\mathrm{exp}(W/kT)$$
(61)
where \[a\] is the distance of fluctuation jump; $`\tau _0(10^{12}÷10^{13})s`$ is the average period of molecule oscillations between jumps; W - activation energy of jump.

The parameters: a, $`\tau _0`$ and W should be considered as a fit parameters.

In accordance with mesoscopic theory, the process of self-diffusion in liquids, like that of viscosity, described above, is determined by two contributions:

a) the collective, nonlocal contribution, related to translational and librational macrodeformons $`(D_{tr,lb})`$;

b) the local contribution, related to coherent clusters flickering: \[dissociation/association\] of primary librational effectons (a and b)- convertons $`(D_{ac,bc})`$.

Each component of the resulting coefficient of self-diffusion (D) in liquid could be presented as the ratio of fluctuation volume cross-section surface: $`[\mathrm{\Delta }v_f^0]^{2/3}`$ to the period of macrofluctuation $`(\tau )`$. The first contribution to coefficient D, produced by translational and librational macrodeformons is:

$$D_{tr,lb}=\left[\left(\mathrm{\Delta }v_f^0\right)^{2/3}\frac{1}{\tau ^M}\right]_{tr,lb}$$
(62)
where: the surface cross-sections of reduced fluctuating free volumes (see eq.43) fluctuations in composition of macrodeformons (tr and lb) are:

$$(\mathrm{\Delta }v_f^0)_{tr,lb}^{2/3}=\left[\frac{V_0}{N_0n^2}\frac{1}{Z}\mathrm{exp}(\frac{ϵ_D^M}{kT})_{tr,lb}\right]^{2/3}$$
(63)
($`\tau ^M`$)<sub>tr,lb</sub> are the characteristic $`(AB)`$ cycle-periods of translational and librational macroeffectons (see eqs. 46 and 47).

The averaged component of self-diffusion coefficient, which takes into account both types of nonlocal fluctuations, related to translational and librational macroeffectons and macrodeformons, can be find as:

$$D^M=[(D)_{tr}^M(D)_{lb}^M]^{1/2}$$
(64)
The formulae for the second, local contribution to self-diffusion in liquids, related to (a and b) convertons $`(D_{ac,bc})`$ are symmetrical by form to that, presented above for nonlocal processes:

$$D_{ac,bc}=\left[(\mathrm{\Delta }v_f^0)^{2/3}\frac{1}{\tau _S}\right]_{ac,bc}$$
(65)
where: reduced fluctuating free volume of (a and b) convertons $`(\mathrm{\Delta }v_f^0)_{ac,bc}`$ is the same as was used above in mesoscopic theory of viscosity (eq.50):

$$(\mathrm{\Delta }v_f^0)_{ac,bc}=\frac{V_0}{N_0n^2}\frac{1}{Z}P_{ac,bc}$$
(66)
where:$`P_{ac}`$ and $`P_{bc}`$ are the relative probabilities of tr/lib interconversions between a and b states of translational and librational primary effectons (see Introduction and Chapter 4)

The averaged local component of self-diffusion coefficient, which takes into account both types of convertons (ac and bc) is:

$$D_C=[(D)_{ac}(D)_{bc}]^{1/2}$$
(67)
In similar way we should take into account the contribution of macroconvertons $`(D_{Mc})`$:

$$D_{Mc}=\left(\frac{V_0}{N_0n^2}\frac{1}{Z}P_{Mc}\right)^{2/3}\frac{1}{\tau _{Mc}}$$
(67a)
where: $`P_{Mc}=P_{ac}P_{bc}`$ is a probability of macroconverton excitation;

the life-time of macroconverton is:

$$\tau _{Mc}=(\tau _{ac}\tau _{bc})^{1/2}$$
(67b)
The cycle-period of $`(ac)`$ and $`(bc)`$ convertons are determined by the sum of life-times of intermediate states of primary translational and librational effectons:

$$\tau _{ac}=(\tau _a)_{tr}+(\tau _a)_{lb};\text{ and }\tau _{bc}=(\tau _b)_{tr}+(\tau _b)_{lb}$$
(67c)
The life-times of primary and secondary effectons (lb and tr) in a\- and b-states are the reciprocal values of corresponding state frequencies:

$$\text{[}\tau _a=1/\nu _a;\text{ }\tau _{\overline{a}}=1/\nu _{\overline{a}};\text{ and }\tau _b=1/\nu _b;\text{ }\tau \overline{_b}=1/\nu _{\overline{b}}\text{]}_{tr,lb}$$
(67d)
\[$`\nu _a`$ and $`\nu _b`$\]<sub>tr,lb</sub> correspond to eqs. 4.8 and 4.9; \[$`\nu _{\overline{a}}`$ and $`\nu _{\overline{b}}`$\]<sub>tr,lb</sub> could be calculated using eqs.2.54 and 2.55.

The resulting coefficient of self-diffusion in liquids (D) is a sum of nonlocal $`(D^M)`$ and local $`(D_c,D_{Mc})`$ effects contributions (see eqs.64 and 67):

$$D=D^M+D_c+D_{Mc}$$
(68)
The effective fluctuation-times were taken the same as in previous section for viscosity calculation, using the correction factor \[($`\pi /2)\tau ]`$.

> Fig. 6. Theoretical and experimental temperature dependences of self-diffusion coefficients in water. Theoretical coefficient was calculated using eq. 68.

Like in the cases of thermal conductivity, viscosity and vapor pressure, the results of theoretical calculations of self-diffusion coefficient coincide well with experimental data for water (Fig. 6) in temperature interval $`(0100^0C)`$.

The self-diffusion in solids

In solid state only the biggest fluctuations: superdeformons, representing simultaneous excitation of translational and librational macrodeformons in the same volumes of matter are responsible for diffusion and the viscosity phenomena. They are related to origination and migration of the defects in solids. The formal presentation of superdeformons contribution to self-diffusion in solids $`(D_s)`$ is similar to that of macrodeformons for liquids:

$$D_S=(\mathrm{\Delta }v_f^0)_S^{2/3}\frac{1}{\tau _S}$$
(69)
where: reduced fluctuating free volume in composition of superdeformons $`(\mathrm{\Delta }v_f^0)_S`$ is the same as was used above in mesoscopic theory of viscosity (eq.56):

$$(\mathrm{\Delta }v_f^0)_S=\frac{V_0}{N_0n^2}\frac{1}{Z}P_S$$
(70)
where: $`P_S=(P_D^M)_{tr}(P_D^M)_{lb}`$ is the relative probability of superdeformons, equal to product of probabilities of tr and lb macrodeformons excitation (see 42).

Characteristic cycle-period of supereffectons is related to that of tr and lb macroeffectons like it was presented in eq.(56a):

$$\tau _s=\tau _A^{}+\tau _B^{}+\tau _D^{}$$
(71)
The self-diffusion coefficient for ice, calculated from eq.69 is less than that of water (eq.53) to about $`10^5`$ times. This result is in accordance with available experimental data.

Strong decreasing of D in a course of phase transition: \[water $``$ ice\] predicted by our mesoscopic theory also is in accordance with experiment (Fig. 7).

Fig. 7. Theoretical temperature dependences of self-diffusion coefficients in ice.

All these results allow to consider our mesoscopic theory of transfer phenomena as a quantitatively confirmed one. They point that the ”mesoscopic bridge” between Micro- and Macro Worlds is wide and reliable indeed. It gives a new possibilities for understanding and detailed description of very different phenomena in solids and liquids.

One of the important consequences of our theory of viscosity and diffusion is the possibility of explaining numerous nonmonotonic temperature changes, registered by a number of physicochemical methods in various aqueous systems during the study of temperature dependences (, , , ; ; , $`[12]`$).

Most of them are related to diffusion or viscosity processes and may be explained by nonmonotonic changes of the refraction index, included in our equations: 44, 45, 50 for viscosity and eqs. 69, 70 for self-diffusion. For water these temperature anomalies of refraction index were revealed experimentally, using few wave lengths in the temperature interval $`395^0`$. They are close to Drost-Hansen temperatures. The explanation of these effects, related to periodic variation of primary librational effectons stability with monotonic temperature change was presented as comments to Fig. 7a of  or Fig.4a of .

Another consequence of our theory is the elucidation of a big difference between librational $`\eta _{lb}(48)`$, translational $`\eta _{tr}(45)`$ viscosities and mesoviscosity, determined by $`[lb/tr]`$ convertons (49 and 52).

The effect of mesoviscosity can be checked as long as the volume of a Brownian particle does not exceed much the volume of primary librational effectons (eq. 15). If we take a Brownian particle, much bigger than the librational primary effecton, then its motion will reflect only averaged share viscosity (eq.53).

The third consequence of the mesoscopic theory of viscosity is the prediction of nonmonotonic temperature behavior of the sound absorption coefficient $`\alpha `$ (51). Its temperature dependence must have anomalies in the same regions, where the refraction index has.

The experimentally revealed temperature anomalies of (n) also follow from our theory as a result of nonmonotonic $`(ab)_{lb}`$ equilibrium behavior, stability of primary lb effectons and probability of \[lb/tr\] convertons excitation (see Discussion to Fig.7a of  or to Fig.4a of ).

Our model predicts also that in the course of transition from the laminar type of flow to the turbulent one the share viscosity ($`\eta `$) will increases due to increasing of structural factor $`(T_k/U_{\text{tot}})`$ in eq. 45.

The superfluidity $`(\eta 0)`$ in the liquid helium could be a result of inability of this liquid at the very low temperature for translational and librational macroeffectons excitations, i.e. $`\tau ^M0`$.

In turn, it is a consequence of tending to zero the life-times of secondary effectons and deformons in eqs.(45), responsible for dissipation processes, due to their Bose-condensation and transformation to primary ones (see Chapter 12 of ). The polyeffectons, stabilized by Josephson’s junctions between primary effectons form the superfluid component of liquid helium.

9. Mesoscopic approach to proton conductivity in water, ice and other systems, containing hydrogen bonds

The numerous models of proton transitions in water and ice are usually related to migration of two types of defects in the ideal Bernal-Fouler structure :

1. Ionic defects originated as a result of $`2H_2O`$ dissociation to hydroxonium and hydroxyl ions:

$$2H_2OH_3O^++\text{OH}^{}$$

2. Orientational Bjerrum defects are subdivided to D (dopplet) and L (leer) ones.

D-defect (positive) corresponds to situation, when 2 protons are placed between two oxygen atoms, instead of the normal structure of hydrogen bond: $`O\mathrm{}HO`$ containing 1 proton.

L-defect (negative) corresponds to opposite anomaly, when even 1 proton between two oxygens is absent. Reorientation of dipole moment of $`H_2O`$ in the case of D- and L-defects leads to origination of charges:

$$q_B=q_D^+=q_L^{}=0.38e$$
(72)
The interrelation between the charge of electron (e), Bjerrum charge $`(q_B)`$ and ionic charge $`(e_I)(`$Onsager, Dupius, 1962) is:

$$e=e_I+q_B$$
(73)
The general approach to problem of proton transition takes into account both types of defects: ionic and orientational. It was assumed that orientational defects originate and annihilate in the process of continuous migration of ions H<sup>+</sup> and OH<sup>-</sup> through the water medium. Krjachko (1987) considers DL-pairs as a cooperative water cluster with linear dimensions of about $`15\AA `$ and with ”kink”. The Bjerrum’s DL-pair is a limit case of such model.

The protons conductivity in water must decrease with temperature increasing due to decreasing and disordering of water clusters and chains.

The kink-soliton model of orientational defects migration along the $`H_2O`$ chain was developed by Sergienko (1986). Mobility of ionic defects exceeds the orientational ones about 10 times.

But it is important to point out that the strong experimental evidence confirming the existence of just Bjerrum type orientational defects are still absent.

Our mesoscopic model of proton diffusion in ice, water and other hydrogen bonds containing systems includes following stages:

1. Ionization of water molecules in composition of superdeformons and ionic defects origination;

2. Bordering by $`H_3^+O`$ and $`HO^{}`$ the opposite surface-sides of primary librational effectons;

3. Tunneling of proton through the volume of primary effecton as a coherent water cluster (Bose-particle);

4. Diffusion of ions $`H_3^+O`$ and $`HO^{}`$in the less ordered medium between primary effectons can be realized in accordance with fluctuation mechanism described above in Section 8. The velocity of this stage is less than tunneling.

Transitions of protons and hydroxyl groups can occur also due to exchange processes (Antonchenko, 1991) like:

$$H_3^+O+H_2OH_2O+H_3^+O$$
(74)
$$H_2O+HO^{}\text{ }HO^{}+H_2O$$
(75)
The rate of ions transferring due to exchange is about 10 times more, than diffusion velocity, but slower than that, determined by tunneling jumps.

5. The orientational defects can originate as a result of $`H_2O`$ molecules rearrangements and conversions between translational and librational effectons in composition of superdeformons. Activation energy of superdeformons and macroconvertons in water is 10.2 kcal/M and about $`\mathrm{\hspace{0.17em}12}`$ kcal/M in ice (see 6.12; 6.13). The additional activation energy about 2-3 kcal/M is necessary for subsequent reorientation of surrounding molecules (Bjerrum, 1951).

Like the ionic defects, positive (D) and negative (L) defects can form a separated pairs on the opposite sides of primary effectons, approximated by parallelepiped. Such pairs means the effectons polarization.

Probability of $`H^+orHO^{}`$ tunneling through the coherent cluster - primary effecton in the (a)-state is higher than that in the (b)-state as far (see 1.30-1.32 of ):

$$[E_a=T_{\text{kin}}^a+V_a]<[E_b=T_{\text{kin}}^b+V_b]$$
(76)
where: $`T_{\text{kin}}^a=T_{\text{kin}}^b`$ are the kinetic energies of (a) and (b) states; $`E_bE_a=V_bV_a`$. is the difference between total and potential energies of these states.

In accordance with known theory of tunneling, the probability of passing the particle with mass $`(m)`$ through the barrier with wideness (a) and height $`(ϵ)`$ has a following dependence on these parameters:

$$\psi _a\mathrm{exp}\left(\frac{a}{b}\right)=\mathrm{exp}\left(\frac{a(2mϵ)^{1/2}}{\mathrm{}}\right)$$
(77)
where:

$$b=\mathrm{}/(2mϵ)^{1/2}$$
(78)
is the effective wave function fading length.

Parameter ($`b`$) is similar to wave B most probable amplitude $`(A_B)`$ with total energy $`E_B=ϵ`$ (see eq. 2.22 of ):

$$b=A_B=\mathrm{}/(2mE_B)^{1/2}$$
(79)
With temperature decreasing the $`(ab)_{tr,lb}`$ equilibrium of primary effectons shifts to the left:

$$K_{a}^{}{}_{}{}^{}{}_{b}{}^{}=(P_a/P_b)\mathrm{}$$
(80)
where $`P_a1`$and $`P_b0`$ are the thermoaccessibilities of (a) and (b) states of primary effectons (see eqs. 4.10-4.12). The linear dimensions of primary effectons of ice also tend to infinity at T$`0`$.

In water the tunneling stage of proton conductivity can be related to primary librational effectons only and their role increase with temperature decreasing. Dimensions of translational effectons in water does not exceed that of one molecule as it leads from our computer calculations.

Increasing of protons conductivity in ice with respect to water, in accordance with our model, is a consequence of participation of translational primary effectons in tunneling of $`\left[H^+\right]`$besides librational ones, as well as significant elevation of primary librational effectons dimensions. Increasing of the total contribution of tunneling process in protons migration in ice rise up their resulting transferring velocity comparing to water.

The external electric field induce:

a) redistribution of positive and negative charges on the surface of primary effectons determined by ionic defects and corresponding orientational defects;

b) orientation of polarized primary effectons in field, making quasi-continuous polyeffectons chains and that of the effectons orchestrated superclusters.

These effects create the conditions for relay mechanism of $`\left[H^+\right]`$ and $`H_3^+O`$ transmitting in the direction of electric field and $`\left[HO^{}\right]`$ in the opposite one. In accordance with our hierarchic model, the $`\left[H^+\right]`$ transition mechanism includes the alternation of tunneling, exchange and usual diffusion processes.

10. Regulation of pH and shining of water by electromagnetic and acoustic fields

In accordance with our model, water dissociation reaction:

$$H_2OH^++HO^{}$$

leading to increase of protons concentration is dependent on probability of $`\left[A_S^{}B_S^{}\right]`$transitions in supereffectons. This means that stimulation of $`\left[A_S^{}B_S^{}\right]`$ transitions (superdeformons) by ultrasound with resonant frequencies, corresponding to frequency of these transitions, should lead to decreasing of pH, i.e. to increasing the concentration of protons $`[H^+]`$.

The $`\left[A_SB_S\right]`$ transitions of supereffectons can be accompanied by origination of cavitational fluctuations (cavitational microbubbles). The opposite $`\left[B_SA_S\right]`$ transitions are related to the collapse of these microbubbles. As a result of this adiabatic process, water vapor in the bubbles is heated up to $`40006000^0`$K. The usual energy of superdeformons in water (Section 6.3):

$$ϵ_D^S=10.2\text{ kcal}/MRT^{}$$
(81)
correspond to local temperature $`T^{}5000^0`$K. For the other hand it is known, that even $`2000^0K`$ is enough already for partial dissociation of water molecules inside bubbles (about 0.01% of total amount of bubble water).

The variable pressure (P), generated by ultrasound in liquid is dependent on its intensity $`(I,wt/cm^2)`$ like:

$$P=(\rho v_sI)^{1/2}4.610^3(\text{atm)}$$
(82)
where $`\rho `$ is density of liquid; $`v_s`$ \- sound velocity $`(m/s)`$.

$`\left[A_S^{}B_S^{}\right]`$ transitions and cavitational bubbles origination can be stimulated also by IR radiation with frequency, corresponding to the activation energy of corresponding big fluctuations, described in mesoscopic theory by superdeformons and macroconvertons.

In such a way, using IR radiation and ultrasound it is possible to regulate a lot of different processes in aqueous systems, depending on pH and water activity.

The increasing of ultrasound intensity leads to increased cavitational bubble concentration. The dependence of the resonance cavity radius $`(R_{\text{res}})`$ on ultrasound frequency (f) can be approximately expressed as:

$$R_{\text{res}}=3000/f$$
(83)
At certain conditions the water placed in the ultrasound field, begins to shine in the region: $`300600nm`$ . This shining (sonoluminescense) is a consequence of electronic excitation of water ions and molecules in the volume of cavitational bubbles.

When the conditions of ultrasound standing wave exist, the number of bubbles and intensity of sonoluminescense is maximal.

The intensity of shining is nonmonotonicly dependent on temperature with maxima around $`15,\mathrm{\hspace{0.17em}30},\mathrm{\hspace{0.17em}45}`$ and $`65^0`$ . This temperature corresponds to extremes of stability of primary librational effectons, related to the number of $`H_2O`$ per effecton’s edge $`(\kappa )`$ (see comments to Fig. 7a of  or to Fig 4a of ). An increase of inorganic ion concentration, destabilizing (a)-state of these effectons, elevate the probability of superdeformons and consequently, shining intensity.

The most probable reason of photon radiation is recombination of water molecules, turning it into exited state:

$${}_{}{}^{}OH\text{ }+H^+H_2O^{}H_2O+h\nu _p$$
(84)
Very different chemical reactions can be stimulated in the volume of cavitational fluctuation by the external fields. The optimal resonant parameters of these fields could be calculated using hierarchic theory.

We propose here that the reaction of water molecules recombination (84) could be responsible for coherent ”biophotons” radiation by cell’s and microbes cultures and living organisms in visible and ultraviolet (UV) range. The advances in biophoton research are described by Popp et al., 1992 .

In accordance to our model, the cell’s body filaments - microtubules (MTs) ”catastrophe” (cooperative reversible disassembly of MTs) is a result of the internal water cavitational fluctuations due to superdeformons excitation. Such collective process should be accompanied by dissociation and recombination (84) of part of water molecules, localized in the hollow core of microtubules, leading to high-frequency electromagnetic radiation (see: http://arXiv.org/abs/physics/0003045). The coherent biophotons in the infrared (IR) range are a consequence of $`(ab)_{tr,lb}`$transitions of the water primary effectons in microtubules.

We can see that lot of well working new theoretical models for different physical phenomena, based on our Hierarchic theory of condensed matter, can be elaborated. It means that this theory may serve as new convenient scientific language.

=======================================================================

> REFERENCES
>
> . Kaivarainen A. Hierarchic Concept of Matter and Field. Water, biosystems and elementary particles. New York, NY,1995, pp. 485.
>
> . Kaivarainen A. New Hierarchic Theory of Matter General for Liquids and Solids: dynamics, thermodynamics and mesoscopic structure of water and ice
>
> (see URL: http://www.karelia.ru/~alexk) and:
>
> . Kaivarainen A. Hierarchic Concept of Condensed Matter and its Interaction with Light: New Theories of Light Refraction, Brillouin Scattering and Mössbauer effect
>
> (see URL: http://www.karelia.ru/~alexk).
>
> . Blakemore J.S. Solid state physics. Cambridge University Press, Cambridge, N.Y. e.a, 1985.
>
> . Dote J.L., Kivelson D., Schwartz H. J.Phys.Chem. 1981, 85, 2169.
>
> . Drost-Hansen W. In: Colloid and Interface Science. Ed. Kerker M. Academic Press, New York, 1976, p.267.
>
> . Drost-Hansen W., Singleton J. Lin. Our aqueous heritage: evidence for vicinal water in cells. In: Fundamentals of Medical Cell Biology, v.3A, Chemistry of the living cell, JAI Press Inc.,1992, p.157-180.
>
> . Johri G.K., Roberts J.A. Study of the dielectric response of water using a resonant microwave cavity as a probe. J.Phys.Chem. $`\mathrm{\hspace{0.17em}1990},\mathrm{\hspace{0.17em}94},7386`$.
>
> . Aksnes G., Asaad A.N. Influence of the water structure on chemical reactions in water. A study of proton-catalyzed acetal hydrolysis. Acta Chem. Scand. $`1989,43,726734`$.
>
> . Aksnes G., Libnau O. Temperature dependence of esther hydrolysis in water. Acta Chem.Scand. $`1991,45,463467`$.
>
> . Käiväräinen A.I. Solvent-dependent flexibility of proteins and principles of their function. D.Reidel Publ.Co., Dordrecht, Boston, Lancaster, 1985, pp.290.
>
> . Käiväräinen A., Fradkova L., Korpela T. Separate contributions of large- and small-scale dynamics to the heat capacity of proteins. A new viscosity approach. Acta Chem.Scand. $`1993,47,456460`$.
>
> . Frontas’ev V.P., Schreiber L.S. J. Struct. Chem. (USSR$`)`$6(1966)512.
>
> . Antonchenko V.Ya. Physics of water. Naukova dumka, Kiev, 1986.
>
> . Guravlev A.I. and Akopjan V.B. Ultrasound shining. Nauka, Moscow, 1977.
>
> . Popp F.A., Li K.H. and Gu Q. Recent advances in biophoton research. Singapore: World Scientific, 1992.


text:
# Giant Cyclones in Gaseous Discs of Spiral Galaxies

## 1 Introduction

In previous papers ,  authors have shown that besides the spiral arms, well known for more than one and a half century in spiral galaxies as structures in the brightness distribution, there also exist structures, revealing themselves in the velocity field. The latter structures have the appearance of giant anticyclonic vortices: their rotation is opposite to the rotation of the galactic disc. The centers of these vortices are located near the zero points of the force field (Lagrange points $`L_4`$ and $`L_5`$, see ). In spiral galaxies these points are fixed in the close vicinity of the corotation circle, where the velocity of the rigid-body rotating spiral pattern coincides with the velocity of the differentially rotating disc. Being in such a position, the centers of the anticyclones turn out to be fixed with respect to the spiral arms and stationary if the spiral structure is stationary. If the spiral structure develops due to some instability in the disc, then the arms and vortices arise simultaneously and grow with the same growth rate . As a result a unified spiral–vortex structure forms.

The growth of the perturbation amplitude leads rather often to the saturation of the instability, after which a spiral–vortex structure becomes stationary. From the very beginning this scenario implies that spiral arms in discs of galaxies have a wave nature, that satisfies modern theoretical conceptions  and agrees well with the results of the velocity field analysis in spiral galaxies (, ).

A typical rotation velocity field of a galactic disc is represented schematically in Fig. 1a. There is no way to close the trajectories of particles in the laboratory (inertial) reference frame by any radial component of the velocity (arrows radially directed in Fig. 1a). The situation is opposite in the rotating reference frame, where anticyclonic motion takes place under condition of appropriate azimuthal variation of the radial component (see Fig. 1b). Note that in the latter case it is not necessary to have large radial velocities to form a vortex near the circle corotating with the reference frame due to small values of the azimuthal velocities in this region.

It is not accidental that the radial velocity was chosen as a periodic function of the azimuth: in the spiral density wave such periodicity should take place both for the radial $`\stackrel{~}{V}_r`$ and for the azimuthal $`\stackrel{~}{V}_\varphi `$ perturbed velocities. Arrows for $`\stackrel{~}{V_\varphi }`$ are not shown in Fig.1. Taking into account the perturbed azimuthal velocity will not change the picture qualitatively, if

$$|\stackrel{~}{V_\varphi }/r|<|dV_{circ}/dr|,$$
(1)
where $`V_{circ}`$ $``$ $`V_{rot}\mathrm{\Omega }_{rf}r`$ is the circular velocity in the reference frame rotating with the angular velocity $`\mathrm{\Omega }_{rf}`$. Note that even a weak inequality is quite enough to form only anticyclonic vortices like in Fig. 1b (for more details see ). Under the opposite condition:

$$|\stackrel{~}{V_\varphi }/r|>|dV_{circ}/dr|$$
(2)
not only anticyclonic, but also cyclonic vortices can appear . In the next section we will consider both these cases in a schematic model of a galactic disc with a well-defined two-armed spiral structure (Grand-Design galaxy).

## 2 Qualitative description of anticyclone and cyclone formation in a disc of Grand-Design galaxy

Let us assume that two-armed Grand-Design spiral structure exists in a differentially rotating gaseous disc. Then the functions describing the perturbed surface density and velocity components, related to the density wave, may be approximated in the form:

$$\stackrel{~}{\sigma }(r,\phi )=C_\sigma (r)\mathrm{cos}[2\phi F_\sigma (r)],$$
(3)
$$\stackrel{~}{V}_r(r,\phi )=C_r(r)\mathrm{cos}[2\phi F_r(r)],$$
(4)
$$\stackrel{~}{V}_\phi (r,\phi )=C_\phi (r)\mathrm{cos}[2\phi F_\phi (r)].$$
(5)
As we consider the momentary picture of the spiral structure, a time dependence is absent in the equations above.

It is natural to ask, whether it is possible to use expressions (3)–(5) for the description of the dynamics of spiral density waves with a finite amplitude. We have checked it in ,  by the example of the galaxy NGC 3631, where cyclones have been found just now (see Section III below). The operating sequence of the check was the following. First, we analysed the azimuthal expansion in the harmonic series of the observed surface brightness of this galaxy at different galactocentric radii. A domination of the second Fourier harmonic over others (see Fig. 1 in ) proved the correctness of the approximation expressed in Eq.(3).

Then the observed line-of-sight velocity field $`V^{obs}(r,\phi )`$ was analysed. This velocity can be expressed as (see , ):

$$V^{obs}(r,\phi )=V_s+V_\phi (r,\phi )\mathrm{cos}\phi +V_r(r,\phi )\mathrm{sin}\phi \mathrm{sin}i+V_z(r,\phi )\mathrm{cos}i.$$
(6)
Here $`i`$ is an inclination angle (angle between the rotation axis of galaxy and line of sight) and $`V_s`$ is systemic velocity of a galaxy (velocity of the center of mass of the galaxy).

Within the frame of the present model

$$V_r(r,\phi )=\stackrel{~}{V}_r(r,\phi ),$$

$$V_\phi (r,\phi )=V_{rot}(r)+\stackrel{~}{V}_\phi (r,\phi ),$$
(7)
$$V_z(r,\phi )=\stackrel{~}{V}_z(r,\phi )=C_z(r)\mathrm{cos}[2\phi F_z(r)],$$

where $`\stackrel{~}{V}_r`$, $`\stackrel{~}{V}_\phi `$ are determined by (4) and (5). Substituting (7) in (6) one obtains the model representation of the Fourier expansion for $`V^{obs}(r,\phi )`$.

Equating the coefficients of the model expansion to the coefficients calculated from observational data,

$$V^{obs}(r,\phi )=V_s+\underset{n}{}\left(a_n^{obs}\mathrm{cos}n\phi +b_n^{obs}\mathrm{sin}n\phi \right),$$
(8)
we obtain the following set of relations between unknown characteristics of the vector velocity field of the galaxy and the Fourier coefficients of the observed line-of-sight velocity field:

$$V_{rot}+\frac{1}{2}(C_r\mathrm{sin}F_r+C_\phi \mathrm{cos}F_\phi )=a_1^{obs},$$
(9)
$$C_r\mathrm{cos}F_r+C_\phi \mathrm{sin}F_\phi =2b_1^{obs},$$
(10)
$$C_z\mathrm{cos}F_z\mathrm{cos}i=a_2^{obs},$$
(11)
$$C_z\mathrm{sin}F_z\mathrm{cos}i=b_2^{obs},$$
(12)
$$C_r\mathrm{sin}F_r+C_\phi \mathrm{cos}F_\phi =2a_3^{obs},$$
(13)
$$C_r\mathrm{cos}F_r+C_\phi \mathrm{sin}F_\phi =2b_3^{obs}.$$
(14)
From (9)-(14) we see that the perturbed velocity components $`\stackrel{~}{V_r,}\stackrel{~}{V_\phi }`$ and $`\stackrel{~}{V_z}`$, written in the form of (4), (5) and (7) give contributions only in the first three harmonics of the Fourier expansion. This is really observed in the case of NGC 3631 (see Fig. 3 in ), where the first three Fourier harmonics of the line-of-sight velocity field dominate over the higher-order harmonics. This gives evidence for the correctness of the representation of the perturbed velocity components in the form (4), (5) and (7) for the galaxy NGC 3631.

To draw schematically the spiral–vortex structure in different reference frames we need relations between the phases $`F_r(r),F_\phi (r)`$ and $`F_\sigma (r)`$. These relations were derived in  from the set of linearized equations. In spite of this simplification, an excellent qualitative agreement was found between the phase of the ”modified” third harmonic (see below) of the observed line-of-sight velocity field and $`F_\sigma (r)`$ (see Fig. 5 in ), which enables to use the phase relations obtained in  for a qualitative description of the residual velocities. The modified third harmonic is a two-armed spiral with phase $`F_3\pi /2,`$ i.e. $`\mathrm{cos}(2\phi F_3+\pi /2),`$ where $`F_3`$ is the phase of the original radial-velocity-field third harmonic.

Below a list of these relations is presented.

a) Relations between the phases of the radial velocity $`\stackrel{~}{V}_r`$ and the surface density perturbation $`\stackrel{~}{\sigma }`$.

* On the corotation circle $`r=r_c`$ :

$$F_r=F_\sigma \frac{\pi }{2},$$
(15)
whence

$$\stackrel{~}{V}_r(r_c,\phi )=C_r(r_c)\mathrm{sin}[2\phi F_\sigma (r_c)],$$
(16)
i.e. on the corotation circle the extrema of $`\stackrel{~}{V}_r`$ coincide with the zeroes of $`\stackrel{~}{\sigma }`$ and vice versa.
* Inside the corotation circle, $`r<r_c`$,

$$F_r=F_\sigma +\pi ,$$
(17)
whence

$$\stackrel{~}{V}_r(r,\phi )=C_r(r)\mathrm{cos}[2\phi F_\sigma (r)],r<r_c,$$
(18)
i.e. inside the corotation circle the maxima of $`\stackrel{~}{V}_r`$ coincide with the minima of $`\stackrel{~}{\sigma }`$ and vice versa.
* Outside the corotation circle, $`r>r_c`$,

$$F_r=F_\sigma ,$$
(19)
whence

$$\stackrel{~}{V}_r(r,\phi )=C_r(r)\mathrm{cos}[2\phi F_\sigma (r)],r>r_c,$$
(20)
i.e. outside the corotation circle the maxima and minima of $`\stackrel{~}{V}_r`$ coincide, respectively, with the maxima and minima of $`\stackrel{~}{\sigma }`$.

b) Relation between the phases of the azimuthal velocity $`\stackrel{~}{V}_\phi `$ and the surface density $`\stackrel{~}{\sigma }`$.

* In all cases, both on the corotation circle, $`r=r_c`$, and out of it, $`rr_c`$, we have

$$F_\phi =F_\sigma +\frac{\pi }{2},$$
(21)
therefore

$$\stackrel{~}{V}_\phi (r,\phi )=C_\phi (r)\mathrm{sin}[2\phi F_\sigma (r)],$$
(22)
i.e. the extrema of $`\stackrel{~}{V}_\phi `$ coincide with the zeroes of $`\stackrel{~}{\sigma }`$ and vice versa throughout the disc.

Using the expressions (16), (18), (20), and (22) we can draw a scheme for the velocity field with vortices overlayed on the scheme of the surface density distribution (Fig. 2). In Fig. 2b we can see the presence of cyclones and anticyclones in the field of residual velocity (that corresponds a reference frame locally corotating with the disc at each radius, $`V_{circ}(r)=0`$). This fact by itself does not depend on the amplitude of the spiral density wave, although the sizes of the vortices depend on this amplitude.

Lindblad and Langebartel  were the first to calculate the field of displacements of the stars in the gravitational potential of a bar. The form of the star displacement field resembles the system of two cyclones and two anticyclones, which is similar our schematic Fig. 2b. Refering on  Lynden- Bell  has noted the existence of cyclonic and anticyclonic trajectories in Fig. 9 of. A similar picture of four vortices in the velocity field of a gaseous disc – two cyclones on the bar and two anticyclones between the spiral arms – was obtained in a recent paper .

In the reference frame rotating with the angular velocity $`\mathrm{\Omega }_{ph}`$ of the two-armed spiral pattern the picture of vortices differs qualitatively from the previous one. In the case (1) when the gradient of the perturbed azimuthal velocity is less than the circular velocity gradient, i.e. the anticyclonic shear dominates over the cyclonic one, the appearance of cyclones is impossible – we can see only two anticyclones with centers near the corotation circle between two spiral arms (Fig. 2c). In the opposite case (2) when the gradient of the perturbed azimuthal velocity dominates over the circular velocity gradient, the location of the cyclones is determined by the place of this domination. Cyclones can survive almost in the same places as in Fig. 2b, i.e. on the corotation circle, but their sizes will be smaller. There are also two other variants when the cyclone center moves either inside or outside the corotation circle along the zero lines of the radial velocity. Finally, both last these variants can be realized simultaneously. In this case four cyclones exist in the velocity field as is shown in Fig. 2d.

## 3  Discovery of Giant Cyclones in the Gaseous Disc of the Spiral Galaxy NGC 3631 with the 6m telescope in SAO

Finding giant vortices in a spiral galaxy requires the reconstruction of the vector velocity field in the reference frame rotating with the angular velocity of the spiral pattern. Thus, first of all the corotation radius should be determined. In this paper for NGC 3631 we use the position of the corotation derived in  on the base of the Fourier analysis of the observed line-of-sight velocity field. The observations of NGC 3631 were carried out with the scanning Fabry-Perot interferometer with Russian 6m telescope. The details of observations were described in .

It is necessary to determine $`\stackrel{~}{V}_r`$ and $`V_\phi =V_{rot}+\stackrel{~}{V}_\phi `$, i.e. to find five unknown functions: $`V_{rot}(r)`$, $`C_r(r)`$, $`C_\phi (r)`$, $`F_r(r)`$, $`F_\phi (r)`$ (see Eqs. (4), (5), and (7)). These five functions are connected with the characteristics of the observed velocity field by the four relations (9), (10), (13), (14). An additional condition required to close the system should have a theoretical origin. Unfortunately, up to now a reliable condition valid for any density wave amplitude is not available. Several possibilities discussed in the literature ,  have limited applicability. To overcome this difficulty, we propose the following approach.

Among the functions listed above, $`V_{rot}(r)`$ could be the most reliably estimated on the base of independent observational data. For this purpose the equilibrium condition of the gaseous disc rotating in a gravitational potential $`\mathrm{\Psi }`$ can be used

$$\frac{V_{rot}^2}{r}=\frac{\mathrm{\Psi }}{r}.$$
(23)
The latter is determined from the mass distribution in a galaxy or its surface brightness maps assuming a costant mass-to-light ratio to be known. To calculate the right hand side of the equation (23) we use a three-component dynamical model of a spiral galaxy similar to . In spite of the roughness of the model, the $`V_{rot}`$ curve found by this method is in the region between $`(a_1)_{\mathrm{min}}`$ and $`(a_1)_{\mathrm{max}}`$ (see Fig. 3; a peculiarity of the thick curve is described below).

The same result is obtained by another way. From equation (9) it follows that the difference $`|a_1V_{rot}|`$ cannot exceed the amplitudes $`C_r`$ and $`C_\phi `$, which, in turn, are connected by equations (10), (13) and (14) with the Fourier coefficients $`b_1^{obs}`$, $`a_3^{obs}`$, and $`b_3^{obs}`$, determined from our observations. In Fig. 4 the radial behaviour of $`b_3^{obs}b_1^{obs}`$ $`=`$ $`C_r\mathrm{cos}F_r`$ and $`b_3^{obs}+b_1^{obs}`$ $`=`$ $`C_\phi \mathrm{sin}F_\phi `$ is demonstrated. The extrema of these functions allow to estimate the amplitudes $`C_r`$ and $`C_\phi `$. According to Fig. 4, one can conclude that in NGC 3631 a maximum value of the amplitude of the residual velocities can reach at $`60`$ km/s, i.e.

$$|a_1V_{rot}|_{\mathrm{max}}60\mathrm{km}/\mathrm{s}.$$
(24)
The conditions (23) and (24) do not allow to calculate the function $`V_{rot}(r)`$ exactly. Nevertheless, they set limits on the variations of both the amplitude and the form of $`V_{rot}(r)`$. Within these limits, we choose a set of trial curves (Fig. 3) and analyse the velocity field obtained from Eqs. (9)–(14) for a given $`V_{rot}(r)`$.

The general views of the restored velocity fields are qualitatively similar for the full set of the rotation curves. In particular, in all cases, except the most extreme ones, distinct areas of anticyclonic as well as cyclonic shear flows exist. However, only rare examples demonstrate the presence of areas with trapped fluid particles moving along stream lines bounded by closed separatrices. Such behavior could be a natural consequence of the quasi-stationary character of the density wave. It is an argument in favour of choosing just these examples of $`V_{rot}(r)`$ as the best-corresponding to the real dynamical model of the galaxy. The best example of $`U_{rot}`$ from the point of view of the stationarity of the stream lines is shown by the thick curve in Fig.3. In other examples the vortices have not close separatrices and their stream lines are spirals - strongly inwards or outwards.

In Fig. 5 we can see the amplitudes of radial ($`\stackrel{~}{V}_r`$) and azimuthal ($`\stackrel{~}{V}_\phi `$) components of the residual velocity. These amplitudes, $`C_r`$ and $`C_\phi `$ were obtained from four equations (9), (10), (13), and (14) after substituting in them $`V_{rot}(r)`$ in the form drawn in Fig. 3 by the thickest line.

Using the functions $`C_r`$ and $`C_\phi `$ in Fig.5 let us show, that the necessary condition (2) of the cyclone formation is satisfied in the galaxy NGC 3631 outside and inside the corotation circle and is not satisfied on the corotation circle. In the reference frame, rotating with the angular velocity of the spiral pattern ($`\mathrm{\Omega }`$ $`=`$ $`\mathrm{\Omega }_{ph}`$), the inequality (2) can be rewritten in the form

$$\left|\frac{\stackrel{~}{V}_\phi }{r}\right|>\left|\frac{dV_{circ}}{dr}\right|\left|\frac{d}{dr}(V_{rot}\mathrm{\Omega }_{ph}r)\right|.$$
(25)
Substituting here the expression (5) for $`\stackrel{~}{V}_\phi `$, we obtain:

$$\left|C_\phi ^{}\mathrm{cos}(2\phi F_\phi )+F_\phi ^{}C_\phi \mathrm{sin}(2\phi F_\phi )\right|>\left|V_{circ}^{}\right|,$$
(26)
where ”prime” denotes the derivative with respect to $`r`$.

In order that cyclones should be possible the condition (26) should be fulfilled at least near the center of the vortex. In the centers

$$V_r=\stackrel{~}{V}_r=C_r\mathrm{cos}(2\phi F_r)=0.$$
(27)
This equation gives a possibility to reduce the left hand side of inequality (26) to a form more suitable for an estimation.

In the vicinity of the center of the cyclone in residual velocities (Fig. 2 b) on the corotation circle from (15) and (21) we have $`F_\phi `$ $`=`$ $`F_r+\pi `$. Thus with the help of (27), the condition (26) is reduced to

$$\left|F_\phi ^{}C_\phi \right|>\left|V_{circ}^{}\right|.$$
(28)
As follows from Fig. 5 b at the corotation radius ($`r`$ $``$ $`42`$ arcsec) $`C_\phi `$ $``$ $`0`$. Hence, as the value of $`F_\phi ^{}`$ is very small the inequality (28) cannot be fulfilled.

In the case of ”external” cyclones (see Fig. 2 d) from (19) and (21) we have $`F_\phi `$ $`=`$ $`F_r+\pi /2`$. Then using (27) from (26) we obtain

$$\left|C_\phi ^{}\right|>\left|V_{circ}^{}\right|.$$
(29)
This relation explains the coincidence of the location of the external cyclones in NGC 3631 (52 $`<`$ $`r`$ $`<`$ 59 arcsec in Fig. 7) with the region of rapid growth of $`C_\phi `$ (50 $`<`$ $`r`$ $`<`$ 60 arcsec in Fig. 5b).

In the case of the ”internal” cyclones from (17) and (21) it follows $`F_\phi `$ $`=`$ $`F_r\pi /2`$. Then in this case the condition (26) also has the form (29). According to Fig. 5b it is fulfilled in the region 22 $`<`$ $`r`$ $`<`$ 31 arcsec, which really contains the internal cyclone region 25 $`<`$ $`r`$ $`<`$ 30 arcsec (Fig. 7).

The vector velocity field of the galaxy NGC 3631, when $`V_{rot}(r)`$ is taken in the form presented in Fig. 3 by the thickest line, is shown in Figs. 6 and 7. In the figures some streamlines of the velocity fields are presented. If the velocity field is stationary the trajectories of fluid particles coincide with the correspondent streamlines. One can see that the residual velocity field of NGC 3631 (Fig. 6) corresponds to that of Fig. 2b and the full velocity field in the reference frame of the spirals (Fig. 7) corresponds to either of two cases presented in Fig. 2d when the centers of two cyclones lie outside the corotation circle. Internal cyclones in the case shown in Fig. 7 are not enveloped by close streamlines.

## 4 Conclusions

I. An analysis of velocity fields in Grand-Design galaxies shows that:

1) the field of residual velocities contains two cyclones and two anticyclones with centers on the corotation circle;

2) in the reference frame rotating with the spiral pattern the velocity field belongs to one of two types:

a) under the condition (1) it contains only two anticyclones with centers near the corotation circle;

b) under the condition (2) besides the anticyclones the field contains also either two or four cyclones. In the former case the cyclone centers lay either on, or outside, or inside the corotation circle. In the latter case, two pairs of cyclones appear with centers inside and outside the corotation circle.

II. Our analysis of the velocity field data obtained by our team at the 6m telescope in the Special Astrophysical Observatory of the Russian Academy of Sciences shows that the Grand-Design galaxy NGC 3631 belongs to the type b).

## 5 Acknowledgement

We thank V. I. Arnold, B. V. Chirikov, V. L. Polyachenko, M. I. Rabinovich, Ya. G. Sinai, and specially G. Contopoulos for fruitful discussions. We thank also J.Bolesteix for his kind placing at our disposal a collection of interferometric filters.

This work was performed under partial financial support of RFBR grant 99–02–18432, grant ”Leading Scientific Schools” 96–15–96648, and the grant ”Fundamental Space Researches. Astronomy” for the 1999 1.2.3.1 and 1.7.4.3.

Figure Captions

Figure 1. A scheme for the anticyclonic vortices formation in a reference frame rotating with an arbitrary angular velocity. Unperturbed rotation velocities and radial perturbed velocities are marked by solid arrows and dashed arrows correspondingly. a) In the laboratory system of coordinates the rotation velocity of the disc varies with radius without change of sign. In this case the radial perturbed velocity can not provide a vortex formation despite the regular change of its sign along azimuth. b) In a rotating reference frame, where the dotted circle is at rest, the same field of radial perturbed velocities as in Fig.1a participates in the anticyclone formation.

Figure 2. A scheme for the velocity field with vortices in different reference frames. Vectors of unperturbed rotation velocity field are shown by solid arrows, radial and azimuthal components of the residual velocity field — by dashed arrows. Solid curves of different thickness – the thickest, the thinnest, and intermediate – tracing the azimuthal locations of the maxima, minima and zero values of the perturbed surface density defined at every radius are denoted by $`\stackrel{~}{\sigma }_{max}`$, $`\stackrel{~}{\sigma }_{min}`$, and $`0(\stackrel{~}{\sigma })`$ respectively. A and C denote anticyclones and cyclones correspondingly. a) The angular velocities of a disc ($`\mathrm{\Omega }(r)`$) and of the spiral pattern ($`\mathrm{\Omega }_{ph}`$) in the laboratory reference frame. The dashed line represents the corotation circle. b) The residual velocity field, which is the result of the subtraction of the rotation velocity from the full velocity field. Dotted lines show the boundaries of vortices. c) The velocity field in the reference frame rotating with the angular velocity $`\mathrm{\Omega }_{ph}`$ of the two-armed spiral pattern. Only two anticyclones can be seen in the vicinity of the corotation circle, when the gradient of perturbed azimuthal velocity is lower than the rotation velocity gradient. d) The velocity field in the same reference frame as in the previous figure, but in the case, when the gradient of the perturbed azimuthal velocity exceeds the rotation velocity gradient. In this case one can see two cyclones and two anticyclones. Depending on the residual velocity field geometry, the domination of the cyclonic shear over the anticyclonic one can take place either near corotation, or inside (or outside) the corotation circle. Figure d) demonstrates one more possibility when four cyclones exist simultaneously - two inside and two outside the corotation circle together with two anticyclones situated at corotation.

Figure 3. Examples of trial curves used to represent the rotation curve ($`V_{rot}(r)`$) in NGC 3631 are shown by solid lines together with the observed behaviour of $`a_1^{obs}(r)`$ (triangles). The thickest line marks the rotation curve corresponding to a quasi-stationary gaseous disk.

Figure 4. The radial dependence of $`b_3^{obs}b_1^{obs}`$ $`=`$ $`C_r\mathrm{cos}F_r`$ and $`b_3^{obs}+b_1^{obs}`$ $`=`$ $`C_\phi \mathrm{sin}F_\phi `$ observed in the spiral galaxy NGC 3631. An estimation of the amplitudes of the velocity components from the extrema of the presented functions gives $`max(C_r)`$ $``$ $`max(C_\phi )`$ $``$ 60 km/s.

Figure 5. Some parameters of the velocity field which correspond to a quasi-stationary regime of the vortex structure.

(a) The calculated amplitude of the radial velocity as a function of $`r`$.

(b) The same for the azimuthal velocity (squares) with overlaid profile of $`\left|V_{circ}(r)\right|`$.

Figure 6. The residual velocity field in the plane of the gaseous disc of the galaxy NGC 3631. One can see two cyclones and two anticyclones. Solid lines show some streamlines of the residual velocity field.

Figure 7. The full velocity field of the same galaxy in the reference frame rotating with the angular velocity of the two-armed spiral pattern. Overlayed squares show the position of maxima of the second Fourier harmonics of brightness map of NGC 3631 in H<sub>α</sub> line. Thin circle shows the position of the corotation. Presented streamlines (solid curves) were calculated using reverse ”time” direction that allows to reveal separatrices evidently. Two cyclones and two anticyclones are enveloped by close streamlines. Other two cyclones are not enveloped by close streamlines. The anticyclone centers lie almost at corotation; the cyclone centers lie outside corotation Cyclones lie in the vicinity of spiral arms, anticyclones are situated between them. The agreement of the vortices position with theoretical predictions (scheme in Fig. 2d) is very good.


text:
# Quark-Hadron Phase Transitions in Young and Old Neutron Stars

## Figure Captions

Figure 1: Left panels: The volume fraction of hadrons as a function of density in units of $`n_0`$ within the quark-hadron mixed phase for cold, catalyzed matter ($`s=0,Y_{\nu _e}=0`$) without hyperons (npQ). Three choices for the parameters $`\zeta `$ and $`\xi `$ in the Müller-Serot (MS) hadronic Lagrangian are illustrated, and the upper panel refers to the Nambu Jones-Lasinio (NJL) model and the lower panel to the MIT bag model with $`B=200`$ MeV fm-3. Right panels: The volume fraction of hadrons in the star’s center as a function of stellar mass for the same configurations and quark models.

Figure 2: The same as Figure 1, except that results are compared for three choices of the bag constant $`B`$ (in units of MeV fm-3) in the MIT bag model. Hyperons are ignored in the top panels (npQ) and included in the bottom panels (npHQ). The parameters $`\zeta =\xi =0`$ in the Müller-Serot (MS) hadronic Lagrangian are chosen.

Figure 3: Pressure versus density in units of $`n_0`$ for three representative snapshots during the evolution of a proto-neutron star. The top (bottom) panels display results without (with) hyperons, and the left (right) panels utilize the NJL (MIT bag) quark EOS. The parameters $`\zeta =\xi =0`$ in the Müller-Serot (MS) hadronic Lagrangian are chosen. Bold curves indicate the mixed phase region.

Figure 4: Temperature versus density in units of $`n_0`$ for two PNS evolutionary snapshots. The upper (lower) panel displays results for the NJL (MIT bag) Lagrangian. The parameters $`\zeta =\xi =0`$ in the Müller-Serot (MS) hadronic Lagrangian are chosen. Results are compared for matter containing only nucleons (np), nucleons plus hyperons (npH), nucleons plus quarks (npQ) and nucleons, hyperons and quarks (npHQ). Bold curves indicate the mixed phase region.

Figure 5: The concentrations of hadrons, quarks, and leptons as functions of density in units of $`n_0`$. Three representative snapshots during the evolution of a proto-neutron star are displayed. Matter is assumed to contain nucleons and quarks (npQ). The parameters $`\zeta =\xi =0`$ in the Müller-Serot (MS) hadronic Lagrangian are chosen. Bold curves indicate the mixed phase region.

Figure 6: The same as Figure 5, except that hyperons are included (npHQ).

Figure 7: The gravitational mass versus radius, for three representative snapshots during the PNS evolution. The left (right) panels are for the NJL (MIT bag) quark EOS, and hyperons are (are not) included in the bottom (top) panels. The parameters $`\zeta =\xi =0`$ in the Müller-Serot (MS) hadronic Lagrangian are chosen. Bold lines indicate configurations with a mixed phase at the star’s center.

Figure 8: The phase diagram of the quark-hadron transition in the baryon number density - neutrino concentration plane for three representative snapshots during the evolution of a proto-neutron star. The left (right) panels are for the NJL (MIT bag) quark EOS, and hyperons are (are not) included in the bottom (top) panels. The parameters $`\zeta =\xi =0`$ in the Müller-Serot (MS) hadronic Lagrangian are chosen. The lower- and upper-density boundaries of the mixed phase are indicated by bold curves. The central densities of maximum mass configurations are shown by thin curves.