The minimal occupancy level of the clathrate hydrate host lattice and the intercalation heat of the guest molecules in the chlorine hydrates

K?tai L.; Bálint S.; Gács I.; Lakatos G.; Angyal A.; Mehrotra R.N.

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The minimal occupancy level of the clathrate hydrate host lattice and the intercalation heat of the guest molecules in the chlorine hydrates

机译：笼形水合物主晶格的最小占据水平和氯水合物中客体分子的嵌入热

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The minimal occupancy level (θ _(min)) of the clathrate lattice of gas molecules is defined as the number of guest molecules in the host clathrate lattice, which can stabilize the thermodynamically unstable empty cage by covering the energy demand of the transformation of hexagonal ice into empty clathrate lattice (ΔH _(trans)). The θ _(min) values for chlorine hydrate were determined from the n = f(p) _(T=const). relationship and the average molar intercalation heat of chlorine in the type I clathrate lattice was also calculated for both type of cavities.

机译：气体分子的笼形晶格的最小占有水平（θ_（min））定义为主体笼形晶格中客体分子的数量，该主形可以通过覆盖六角形转变的能量需求来稳定热力学不稳定的空笼冰成空的笼形晶格（ΔH_（trans））。由n = f（p）_（T = const）确定水合氯的θ_（min）值。对于两种类型的腔，还计算了I型笼形晶格中氯的化学关系和平均摩尔插层热。

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《Zeitschrift fur Anorganische und Allgemeine Chemie》 |2012年第2期|共3页
作者
K?tai L.; Bálint S.; Gács I.; Lakatos G.; Angyal A.; Mehrotra R.N.;
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正文语种 eng
中图分类化学;
关键词
Chlorine; Clathrate hydrates; Clathrates; Intercalation heat; Minimal occupancy level;

机译：氯;氯酸盐水合物;氯酸盐;插层热;最小占用水平;

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1. The minimal occupancy level of the clathrate hydrate host lattice and the intercalation heat of the guest molecules in the chlorine hydrates [J] . K?tai L., Bálint S., Gács I., Zeitschrift fur Anorganische und Allgemeine Chemie . 2012,第2期

机译：笼形水合物主晶格的最小占据水平和氯水合物中客体分子的嵌入热
2. Direct Space Methods for Powder X-ray Diffraction for Guest-Host Materials: Applications to Cage Occupancies and Guest Distributions in Clathrate Hydrates [J] . Satoshi Takeya, Konstantin A. Udachin, Igor L. Moudrakovski, Journal of the American Chemical Society . 2010,第2期

机译：客体材料粉末X射线衍射的直接空间方法：笼形水合物中笼式占有率和客体分布的应用
3. Direct Space Methods for Powder X-ray Diffraction for Guest−Host Materials: Applications to Cage Occupancies and Guest Distributions in Clathrate Hydrates [J] . Satoshi Takeya† Konstantin A. Udachin Igor L. Moudrakovski Robin Susilo and John A. Ripmeester Journal of the American Chemical Society . 2010,第2期

机译：客体材料的粉末X射线衍射的直接空间方法：笼形水合物中笼式占有率和客体分布的应用
4. Molecular behavior of guest molecules in clathrate hydrates by ab initio molecular dynamics simulations [C] . Hiratsuka M. 化学工学会年会 . 2020

机译：AB Initio分子动力学模拟Clathrate水合物的客体分子的分子行为
5. Latent heat thermal energy storage in salt hydrates and clathrate hydrates. [D] . Tsai, Albert G. 1986

机译：盐水合物和笼形水合物中的潜热热能存储。
6. Effects of the CO2 Guest Molecule on the sI Clathrate Hydrate Structure [O] . Fernando Izquierdo-Ruiz, Alberto Otero-de-la-Roza, Julia Contreras-García, 2016

机译：CO2客体分子对sI笼形水合物结构的影响
7. Direct space methods for powder X-ray diffraction for guest-host materials : applications to cage occupancies and guest distributions in clathrate hydrates [O] . Takeya, Satoshi, Udachin, Konstantin A., Moudrakovski, Igor L., 2010

机译：客体材料的粉末X射线衍射的直接空间方法：笼形水合物在笼子占用和客体分布中的应用
8. Comparison of Reactivity Based on Intercalation and Host Lattice Reconstruction. Two Routes for the Conversion of the Lamellar Solid Hydrogen Uranyl Phosphate to a Lamellar Hydrate of Uranyl Phosphate [R] . Rosenthal, G. L., Ellis, A. B. 1987

机译：基于插层和主机格重构的反应性比较。将层状固体氢铀基磷酸酯转化为磷酸铀酰层状水合物的两种途径

The minimal occupancy level of the clathrate hydrate host lattice and the intercalation heat of the guest molecules in the chlorine hydrates

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