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Robert Boyle and the relational and dispositional nature of chemical properties 罗伯特·波义耳和化学性质的关系和性质
IF 0.9 3区 化学 Pub Date : 2022-06-03 DOI: 10.1007/s10698-022-09435-w
Marina Paola Banchetti-Robino

This paper establishes that Robert Boyle’s complex chemical ontology implies a non-reductionistic conception of chemical qualities and, more specifically, a conception of chemical qualities as being dispositional and relational. Though Peter Anstey has already shown that that Boyle considered sensible qualities to be dispositional and relational, this moves beyond Anstey’s work by extending his arguments to chemical properties. These arguments are, however, merely a first step in establishing a non-reductionistic interpretation of Boyle’s chemical ontology. A further argument will show that Boyle regards chemical and other higher-level properties as being emergent and supervenient properties. These arguments are supported by substantial textual evidence from Boyle’s writings, which show that he clearly conceived of chemical substances as functional wholes whose properties emerge not only from the microstructural ordering of their parts but also from their relationship with other chemical substances within the context of experimental practice.

本文确立了罗伯特·波义耳的复杂化学本体论暗示了化学质量的非还原论概念,更具体地说,化学质量的概念是配置和关系。尽管彼得·安斯蒂已经证明,波义耳认为感性的品质是性情性的和关系性的,但这超越了安斯蒂的工作,把他的论点扩展到了化学性质上。然而,这些论证仅仅是建立波义耳化学本体论的非还原论解释的第一步。进一步的论证将表明,波义耳认为化学性质和其他高级性质是突现性和随性性质。这些论点得到了波义耳著作中大量文本证据的支持,这些证据表明,他清楚地将化学物质视为功能整体,其特性不仅来自其各部分的微观结构顺序,还来自它们在实验实践背景下与其他化学物质的关系。
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引用次数: 0
Hasok Chang on the nature of acids Hasok Chang关于酸的性质
IF 0.9 3区 化学 Pub Date : 2022-05-31 DOI: 10.1007/s10698-022-09432-z
Eric R. Scerri

For a period of several years the philosopher of science Hasok Chang has promoted various inter-related views including pluralism, pragmatism, and an associated view of natural kinds. He has also argued for what he calls the persistence of everyday terms in the scientific view. Chang claims that terms like phlogiston were never truly abandoned but became transformed into different concepts that remain useful. On the other hand, Chang argues that some scientific terms such as acidity have suffered a form of “rupture”, especially in the case of the modern Lewis definition of acids. Chang also complains that the degree of acidity of a Lewis acid cannot be measured using a pH meter and seems to regard this as a serious problem. The present paper examines some of these views, especially what Chang claims to be a rupture in the definition of acidity. It is suggested that there has been no such rupture but a genuine generalization, on moving from the Brønsted-Lowry theory to the Lewis theory of acidity. It will be shown how the quantification and measurement of Lewis acidity can easily be realized through the use of equilibrium theory and the use of stability constants.

几年来,科学哲学家张夏素提出了多种相互关联的观点,包括多元主义、实用主义和自然种类的相关观点。他还为他所谓的科学观点中日常术语的持久性进行了论证。Chang声称,像燃素这样的术语从未被真正抛弃,而是被转化为不同的概念,这些概念仍然有用。另一方面,Chang认为,一些科学术语,如酸度,已经遭受了某种形式的“破裂”,特别是在现代刘易斯对酸的定义中。Chang还抱怨说,刘易斯酸的酸度不能用pH计来测量,他似乎认为这是一个严重的问题。本文考察了其中的一些观点,特别是张所声称的酸度定义的断裂。有人认为,在从Brønsted-Lowry理论到Lewis酸度理论的转变过程中,并没有这样的断裂,而是一种真正的推广。它将显示如何量化和测量路易斯酸度可以很容易地实现通过使用平衡理论和使用稳定常数。
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引用次数: 5
On the nature of quantum-chemical entities: the case of electron density 论量子化学实体的性质:以电子密度为例
IF 0.9 3区 化学 Pub Date : 2022-05-17 DOI: 10.1007/s10698-022-09431-0
Jesus Alberto Jaimes Arriaga

An Aristotelian philosophy of nature offers an alternative to reduction for the conception of the inter-theoretical relationships between molecular chemistry and quantum mechanics. A basic ingredient for such an approach is an ontology of fundamental causal powers, and this work aims to develop such an ontology by drawing on quantum-chemical entities, particularly, the electron density. This notion is central to the Quantum Theory of Atoms in Molecules, a theory of molecular structure developed by Richard F. W. Bader, which describes molecules and atoms in terms precisely of the electron density. Then, by identifying a philosophical tension in Bader’s discourse about the nature of electron density, the work will analyze this central notion in terms of the categorical/dispositional distinction regarding properties. The central idea is that electron density can be conceived as categorical and dispositional at once, and this very characterization can avoid Bader’s philosophical tension.

亚里士多德的自然哲学为分子化学和量子力学之间理论间关系的概念提供了还原的另一种选择。这种方法的一个基本组成部分是基本因果力的本体论,这项工作旨在通过利用量子化学实体,特别是电子密度来发展这样一个本体论。这个概念是分子中原子的量子理论的核心,这是Richard F. W. Bader提出的一种分子结构理论,它精确地用电子密度来描述分子和原子。然后,通过识别巴德关于电子密度本质的论述中的哲学张力,本著作将根据关于性质的范畴/性情区分来分析这一中心概念。中心思想是,电子密度可以同时被认为是绝对的和定向的,而这种特征可以避免巴德尔的哲学张力。
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引用次数: 0
Quantum algorithms for simulation of quantum chemistry problems by quantum computers: an appraisal 用量子计算机模拟量子化学问题的量子算法:评价
IF 0.9 3区 化学 Pub Date : 2022-05-15 DOI: 10.1007/s10698-022-09428-9
Smriti Sharma

The ideas of quantum simulation and advances in quantum algorithms to solve quantum chemistry problems have been discussed. Theoretical proposals and experimental investigations both have been studied to gauge the extent to which quantum computation has been applied to solve quantum chemical problems till date. The distinctive features and limitations of the application of quantum simulation on chemical systems and current approaches to define and improve upon standard quantum algorithms have been studied in detail. The possibility and consequences of designing an efficient quantum computer that can address chemical problems have been assessed. The experimental realization of quantum supremacy defies the conventional belief of chemists, that millions of qubits would be required to solve fundamental chemistry problems. It is predicted that quantum simulation of quantum chemistry problems will radically revolutionize this field.

讨论了量子模拟的思想和解决量子化学问题的量子算法的进展。理论建议和实验研究都进行了研究,以衡量量子计算在解决量子化学问题方面的应用程度。详细研究了量子模拟在化学系统中应用的特点和局限性,以及目前定义和改进标准量子算法的方法。人们已经评估了设计一台能够解决化学问题的高效量子计算机的可能性和后果。量子霸权的实验实现违背了化学家的传统信念,即需要数百万个量子比特才能解决基本的化学问题。据预测,量子化学问题的量子模拟将彻底改变这一领域。
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引用次数: 1
Editorial 70 (the platinum issue) 社论第70期(白金版)
IF 0.9 3区 化学 Pub Date : 2022-05-05 DOI: 10.1007/s10698-022-09429-8
Eric Scerri
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引用次数: 0
Improving student success in chemistry through cognitive science 通过认知科学提高学生在化学方面的成功
IF 0.9 3区 化学 Pub Date : 2022-04-21 DOI: 10.1007/s10698-022-09427-w
JudithAnn R. Hartman, Eric A. Nelson, Paul A. Kirschner

Chemistry educator Alex H. Johnstone is perhaps best known for his insight that chemistry is best explained using macroscopic, submicroscopic, and symbolic perspectives. But in his writings, he stressed a broader thesis, namely that teaching should be guided by scientific research on how the brain learns: cognitive science. Since Johnstone’s retirement, science’s understanding of learning has progressed rapidly. A surprising discovery has been when solving chemistry problems of any complexity, reasoning does not work: students must apply very-well-memorized facts and algorithms. Following Johnstone’s advice, we review recent discoveries of cognitive science research. Instructional strategies are recommended that cognitive studies have shown help students learn chemistry.

化学教育家亚历克斯·h·约翰斯通(Alex H. Johnstone)最为人所知的见解是,用宏观、亚微观和符号的视角来解释化学是最好的。但在他的著作中,他强调了一个更广泛的论点,即教学应该以关于大脑如何学习的科学研究为指导:认知科学。自约翰斯通退休以来,科学对学习的理解取得了迅速的进展。一个令人惊讶的发现是,在解决任何复杂的化学问题时,推理都不起作用:学生必须运用记忆非常好的事实和算法。遵循约翰斯通的建议,我们回顾了认知科学研究的最新发现。认知研究表明,教学策略可以帮助学生学习化学。
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引用次数: 4
Periodic tables for cations + 1, + 2, + 3 and anions − 1. Quantitative characteristics for manifestations of internal periodicity and kainosymmetry 阳离子+ 1,+ 2,+ 3和阴离子- 1的元素周期表。内部周期性和凯诺对称性表现的定量特征
IF 0.9 3区 化学 Pub Date : 2022-04-06 DOI: 10.1007/s10698-022-09421-2
Naum S. Imyanitov

This paper describes the construction of the Periodic Tables for cations of all elements with charges + 1, + 2, + 3 and anions with charge − 1. The Table for cations+1 differs significantly from other newly constructed Tables and from known Tables, as the d- and f-blocks are inserted into s-block and split it up for two parts. Importantly, a new type of 3d- and 4f-shell contractions has been discovered. The manifestations of secondary periodicity in case of anions is absent or opposite to the manifestations observed for atoms and cations. For kainosymmetric anions, the ionization energies are lowered, which contradicts the theoretical assumptions and experimental data supporting the classical concept of kainosymmetry. Simple formulas are proposed for quantitative description of the manifestations of internal periodicity and kainosymmetry. The regularities of change in these manifestations depending on the charge and the position of ions or atoms in the Periodic Table are established. In the 6th period, the bifurcation in the properties characteristic of the internal periodicity does not occur at usual position, i.e. in the middle of the row from the block of the Periodic Table (p3–p4), but takes place earlier, along with the transition of the electronic configurations p2–p3. In other words, the place of transition from "early" to "late" elements changes.

本文描述了所有带+ 1、+ 2、+ 3电荷的元素的阳离子和带- 1电荷的阴离子的元素周期表的构造。阳离子+1的表与其他新建的表和已知的表有很大的不同,因为d和f块被插入到s块中,并将其分成两部分。重要的是,一种新型的3d和4f壳层收缩已经被发现。阴离子的二次周期性的表现与原子和阳离子的表现相反或不存在。对于凯奈对称阴离子,电离能降低,这与支持凯奈对称经典概念的理论假设和实验数据相矛盾。提出了定量描述内部周期性和凯诺对称性表现的简单公式。这些表现的变化规律取决于电荷和离子或原子在元素周期表中的位置。在第6周期,内部周期性的性质特征的分叉并不发生在通常的位置,即在元素周期表块(p3-p4)的中间,而是发生在更早的位置,伴随着电子构型p2-p3的转变。换句话说,从“早”元素到“晚”元素的过渡地点发生了变化。
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引用次数: 2
Brick by brick 一砖一瓦
IF 0.9 3区 化学 Pub Date : 2022-03-30 DOI: 10.1007/s10698-021-09415-6
Peter Atkins
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引用次数: 0
Chemistry: progress since 1860—reflections on chemistry and chemistry education triggered by reading Muspratt’s Chemistry 化学:1860年以来的进步——阅读穆斯普拉特的《化学》引发的对化学和化学教育的反思
IF 0.9 3区 化学 Pub Date : 2022-03-19 DOI: 10.1007/s10698-022-09424-z
Alan Goodwin

This paper was inspired by the author’s fortunate acquisition of a copy of an original copy of “Muspratt’s Chemistry” that was published in 1860. This raised, for the author, interesting and significant issues regarding the chemistry content and its presentation in the context of chemistry and education today. The paper is presented in two parts: Part 1 explores the content, structure and gives reactions to and insights into the original publication, whereas Part 2 provides a focus on the developments in chemistry education as experienced by the author during almost 70 years of learning and teaching chemistry in schools and in teacher education in England. James Sheridan Muspratt (1821–1871) is best remembered for this publication which is fully entitled “Chemistry, theoretical, practical and analytical as applied and relating to Arts and Manufactures”. This was developed during the period 1852–1860 and ran into several editions as well as being translated into German and Russian. Earlier he had done chemistry research with Liebig and Hofmann, and in 1848 he founded the Liverpool College of Chemistry. It is clear that he corresponded extensively with many of the leading nineteenth century chemists in the UK and Europe, many of whose names are still familiar with us today.

这篇论文的灵感来自于作者幸运地获得了1860年出版的《穆斯普拉特的化学》的原版。这为作者提出了关于化学内容及其在当今化学和教育背景下的表现的有趣而重要的问题。本文分为两部分:第一部分探讨了内容、结构,并对原始出版物给出了反应和见解,而第二部分则重点介绍了作者在英国近70年的学校化学教学和教师教育中所经历的化学教育发展。James Sheridan Muspratt(1821-1871)最为人所铭记的是他的这本名为“化学,理论,实践和分析应用于艺术和制造”的出版物。这是在1852年至1860年期间开发的,有几个版本,并被翻译成德语和俄语。早些时候,他曾与李比希和霍夫曼一起做化学研究,并于1848年创立了利物浦化学学院。很明显,他与19世纪英国和欧洲的许多主要化学家广泛通信,其中许多人的名字今天仍然为我们所熟悉。
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引用次数: 0
Special theory of relativity in chemistry 化学中的狭义相对论
IF 0.9 3区 化学 Pub Date : 2022-03-14 DOI: 10.1007/s10698-022-09420-3
Nenad Raos

Application of Einstein special theory of relativity in chemistry seems to be superfluous; energies are too low. The average velocity of electron in hydrogen atom (1 s 1) is 1/135 c, making its actual mass only 26,6 ppm bigger than the rest mass. However, for heavier elements (about Z > 60) relativistic effects have to be taken into account and, more, many phenomena cannot be explained without ascribing new mass to electrons, in accordance with Einstein theory. In this paper such phenomena are described: color of metallic gold and Bi and Pb compounds, contraction of Ln-X bond of lanthanide trihalides, voltage of lead-acid and Zn/HgO battery, and the shape of gold clusters. Besides, essentials of Einstein theory and quantum chemistry were problems concerning the validity of Lavoisier law.

爱因斯坦狭义相对论在化学中的应用似乎是多余的;能量太低了。氢原子的电子平均速度(1秒1)是1/135摄氏度,因此它的实际质量只比静止质量大26.6 ppm。然而,对于较重的元素(大约Z > 60),必须考虑相对论效应,而且,根据爱因斯坦理论,如果不把新的质量归因于电子,许多现象就无法解释。本文描述了金属金和Bi、Pb化合物的颜色、三卤化物镧系元素Ln-X键的收缩、铅酸电池和Zn/HgO电池的电压以及金簇的形状等现象。此外,爱因斯坦理论和量子化学的要点是关于拉瓦锡定律有效性的问题。
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引用次数: 0
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Foundations of Chemistry
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