{"title":"The Htrs–Ttrs Function of Phase Transition Enthalpy for Chemical Elements and Inorganic and Organic Compounds","authors":"Yi Cheng","doi":"10.1021/acsphyschemau.5c00148","DOIUrl":null,"url":null,"abstract":"<p>The periodic table\r\nof chemical elements has undergone over a century\r\nof development and has made indelible contributions to the fields\r\nof physics and chemical science. Exploring the relationship between\r\nthe structure and properties of elements and establishing mathematical\r\nmodels of their physical properties has always been a goal that scientists\r\nhave pursued tirelessly. For example, can the relationships between\r\nmelting points (<em>T<sub>f</sub></em>), boiling points (<em>T<sub>b</sub></em>), and enthalpies (<em>H<sub>v</sub></em> or <em>H<sub>f</sub></em>) of various elements be unified\r\ninto a single mathematical function? Does the phase transition temperature\r\nof an element necessarily increase with its atomic number? Does the\r\nphase transition enthalpy also increase accordingly? The valence electron\r\nnumber of an element is a significant characteristic value in its\r\nperiodicity, and elements with the same valence electron number form\r\nthe same groups. Connecting the <em>H</em><sub><em>trs</em></sub>/<em>T</em><sub><em>trs</em></sub> points of\r\nelements in the same group yields a <em>H</em><sub><em>trs</em></sub>–<em>T</em><sub><em>trs</em></sub> curve and function. Research has revealed that the <em>H</em><sub><em>trs</em></sub>–<em>T</em><sub><em>trs</em></sub> functions of elements in the same\r\ngroup can all be unified into a single quadratic trinomial: <em>H<sub>trs</sub></em> = <em>aT<sub>trs</sub></em><sup>2</sup> + <em>bT<sub>trs</sub></em> + <em>c</em>,\r\nwith a correlation coefficient <em>R</em><sup><em>2</em></sup> ≈ 1. This quadratic trinomial is an increasing function;\r\ntherefore, the phase transition enthalpy of elements in the same group\r\nincreases with the rise in phase transition temperature. Based on\r\nthis quadratic trinomial and the phase transition temperatures of\r\nelements, the phase transition enthalpy of homologous elements can\r\nbe predicted, or the phase transition temperature can be retrodicted\r\nfrom known phase transition enthalpy. In addition, this method can\r\nalso be used to correct the known phase transition temperatures or\r\nenthalpies of the elements. Further work has found that many inorganic\r\nand organic compounds also exhibit the characteristics of <em>H</em><sub><em>trs</em></sub>–<em>T</em><sub><em>trs</em></sub>. The concept of <em>H</em><sub><em>trs</em></sub>–<em>T</em><sub><em>trs</em></sub> function will provide new fundamental data and\r\nresearch approaches for thermodynamics, material structure, condensed\r\nmatter physics, quantum mechanics, inorganic chemistry, and organic\r\nchemistry.</p>","PeriodicalId":29796,"journal":{"name":"ACS Physical Chemistry Au","volume":"6 2","pages":"378–387"},"PeriodicalIF":4.8000,"publicationDate":"2026-03-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"ACS Physical Chemistry Au","FirstCategoryId":"1085","ListUrlMain":"https://pubs.acs.org/doi/10.1021/acsphyschemau.5c00148","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2026/3/1 0:00:00","PubModel":"Epub","JCR":"Q2","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0
Abstract
The periodic table
of chemical elements has undergone over a century
of development and has made indelible contributions to the fields
of physics and chemical science. Exploring the relationship between
the structure and properties of elements and establishing mathematical
models of their physical properties has always been a goal that scientists
have pursued tirelessly. For example, can the relationships between
melting points (Tf), boiling points (Tb), and enthalpies (Hv or Hf) of various elements be unified
into a single mathematical function? Does the phase transition temperature
of an element necessarily increase with its atomic number? Does the
phase transition enthalpy also increase accordingly? The valence electron
number of an element is a significant characteristic value in its
periodicity, and elements with the same valence electron number form
the same groups. Connecting the Htrs/Ttrs points of
elements in the same group yields a Htrs–Ttrs curve and function. Research has revealed that the Htrs–Ttrs functions of elements in the same
group can all be unified into a single quadratic trinomial: Htrs = aTtrs2 + bTtrs + c,
with a correlation coefficient R2 ≈ 1. This quadratic trinomial is an increasing function;
therefore, the phase transition enthalpy of elements in the same group
increases with the rise in phase transition temperature. Based on
this quadratic trinomial and the phase transition temperatures of
elements, the phase transition enthalpy of homologous elements can
be predicted, or the phase transition temperature can be retrodicted
from known phase transition enthalpy. In addition, this method can
also be used to correct the known phase transition temperatures or
enthalpies of the elements. Further work has found that many inorganic
and organic compounds also exhibit the characteristics of Htrs–Ttrs. The concept of Htrs–Ttrs function will provide new fundamental data and
research approaches for thermodynamics, material structure, condensed
matter physics, quantum mechanics, inorganic chemistry, and organic
chemistry.
期刊介绍：
ACS Physical Chemistry Au is an open access journal which publishes original fundamental and applied research on all aspects of physical chemistry. The journal publishes new and original experimental computational and theoretical research of interest to physical chemists biophysical chemists chemical physicists physicists material scientists and engineers. An essential criterion for acceptance is that the manuscript provides new physical insight or develops new tools and methods of general interest. Some major topical areas include:Molecules Clusters and Aerosols; Biophysics Biomaterials Liquids and Soft Matter; Energy Materials and Catalysis
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