[Paper Review] New Hierarchic Theory of Condensed Matter and its Computerized Application to Water and Ice

Alex Käiväräinen|arXiv (Cornell University)|Feb 26, 2001

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TL;DR

This paper proposes a novel quantum hierarchic theory of condensed matter treating liquids and solids as collections of 3D standing waves (de Broglie, phonons, IR photons), enabling comprehensive simulations of water and ice via the CAMP computer program. It achieves excellent agreement with experimental data across ~300 physical properties, revealing evidence of high-temperature mesoscopic molecular Bose condensation and unified dynamics-thermodynamics behavior via coherent clusters.

ABSTRACT

This work contains review of original quantum Hierarchic theory of condensed matter, general for liquids and solids and its numerous branches. Computer program (copyright, 1997, Kaivarainen), based on new theory, was used for comprehensive simulations of water and ice physical properties. Condensed matter is considered as gas of 3D standing waves (collective excitations) of different nature: thermal de Broglie waves (waves B), IR photons and thermal phonons. Quantitative interrelation between microscopic, mesoscopic (as intermediate) and macroscopic properties of condensed matter are demonstrated. New theories of total internal energy, including contributions of kinetic and potential energy, heat capacity, surface tension, vapor pressure, thermal conductivity, viscosity and self-diffusion are described. Hierarchic theory of osmotic pressure, based on new state equation, new theories of light refraction, Brillouin light scattering and Mössbauer effect are presented also in article and compared with available experimental data for water and ice. Lot of hidden parameters, inaccessible for experiment, describing the dynamic and spatial properties of 24 quantum collective excitations of matter, can be calculated also, as demonstrated on examples of water and ice. Total number of physical parameters of liquids and solids in wide T-interval, including that of phase transitions, to be possible to evaluate using CAMP computer program, is about 300. The agreement between theoretical and available experimental results is very good. The evidence of high-T mesoscopic molecular Bose condensation (BC) in water and ice in form of coherent clusters is obtained. The new mechanisms of the 1st and 2nd order phase transitions, related to such clusters formation/melting, their assembly/disassembly and symmetry change is proposed. Theory unifies dynamics and thermodynamics on microscopic, mesoscopic and macroscopic scales in terms of quantum physics. The idea of new optoacoustic device: Comprehensive Analyzer of Matter Properties (CAMP) with huge informational possibilities, based on computer program, elaborated and its multisided applications are described. This work may be considered as a

Motivation & Objective

• To develop a unified quantum hierarchic theory of condensed matter applicable to both liquids and solids.
• To address the lack of a comprehensive framework linking microscopic, mesoscopic, and macroscopic properties of condensed matter.
• To simulate a wide range of physical properties of water and ice, including phase transitions, using a novel computational model.
• To investigate the existence and role of mesoscopic molecular Bose condensation in water and ice.
• To create a multiscale theoretical and computational tool for predicting and analyzing condensed matter behavior.

Proposed method

• Modeling condensed matter as a gas of 3D standing waves, including thermal de Broglie waves (B-waves), infrared photons, and thermal phonons.
• Developing a new state equation and applying it to derive theories of total internal energy, heat capacity, surface tension, vapor pressure, thermal conductivity, viscosity, and self-diffusion.
• Implementing a computer program (CAMP, copyright 1997) to simulate physical properties across a wide temperature interval.
• Using the CAMP program to calculate 24 quantum collective excitations and their dynamic and spatial properties, including hidden parameters inaccessible to experiment.
• Applying the theory to predict and analyze osmotic pressure, light refraction, Brillouin scattering, and Mössbauer effect in water and ice.
• Comparing theoretical predictions with experimental data to validate the model across multiple physical phenomena.

Experimental results

Research questions

• RQ1 How can a unified quantum hierarchic theory describe the interrelation between microscopic, mesoscopic, and macroscopic properties of condensed matter?
• RQ2 What is the role of coherent clusters formed via mesoscopic molecular Bose condensation in phase transitions of water and ice?
• RQ3 Can the CAMP computer program accurately predict 300+ physical properties of water and ice across a wide temperature range?
• RQ4 How do the new theories of heat capacity, surface tension, and self-diffusion compare with experimental data under the proposed framework?
• RQ5 What is the nature of the new mechanisms for first- and second-order phase transitions based on cluster formation and symmetry changes?

Key findings

• The theory achieves very good agreement between theoretical predictions and available experimental data for water and ice across a broad range of physical properties.
• Evidence of high-temperature mesoscopic molecular Bose condensation in water and ice is obtained, indicating the presence of coherent clusters.
• The CAMP computer program enables the calculation of approximately 300 physical parameters of liquids and solids, including phase transitions, over a wide temperature interval.
• New mechanisms for first- and second-order phase transitions are proposed, based on the formation/melting and assembly/disassembly of coherent clusters with symmetry changes.
• The theory successfully unifies dynamics and thermodynamics across microscopic, mesoscopic, and macroscopic scales within a quantum physics framework.
• Hidden parameters describing dynamic and spatial features of 24 quantum collective excitations in matter are calculable and demonstrated for water and ice.